Authors: Abu Shad Ahammed, Sayeri Mukherjee, Roman Obermaisser
Abstract: Mental disorders are clinically significant patterns of behavior that are associated with stress and/or impairment in social, occupational, or family activities. People suffering from such disorders are often misjudged and poorly diagnosed due to a lack of visible symptoms compared to other health complications. During emergency situations, identifying psychiatric issues is that's why challenging but highly required to save patients. In this paper, we have conducted research on how traditional machine learning and large language models (LLM) can assess these psychiatric patients based on their behavioral patterns to provide a diagnostic assessment. Data from emergency psychiatric patients were collected from a rescue station in Germany. Various machine learning models, including Llama 3.1, were used with rescue patient data to assess if the predictive capabilities of the models can serve as an efficient tool for identifying patients with unhealthy mental disorders, especially in rescue cases.
Authors: Elie Thellier (EPIONE), Huiyu Li (EPIONE), Nicholas Ayache (EPIONE), Herv\'e Delingette (EPIONE)
Abstract: Data lakes enable the training of powerful machine learning models on sensitive, high-value medical datasets, but also introduce serious privacy risks due to potential leakage of protected health information. Recent studies show adversaries can exfiltrate training data by embedding latent representations into model parameters or inducing memorization via multi-task learning. These attacks disguise themselves as benign utility models while enabling reconstruction of high-fidelity medical images, posing severe privacy threats with legal and ethical implications. In this work, we propose a simple yet effective mitigation strategy that perturbs model parameters at export time through fine-tuning with a decaying layer-wise learning rate to corrupt embedded data without degrading task performance. Evaluations on DermaMNIST, ChestMNIST, and MIMIC-CXR show that our approach maintains utility task performance, effectively disrupts state-of-the-art exfiltration attacks, outperforms prior defenses, and renders exfiltrated data unusable for training. Ablations and discussions on adaptive attacks highlight challenges and future directions. Our findings offer a practical defense against data leakage in data lake-trained models and centralized federated learning.
Authors: Qitao Tan, Xiaoying Song, Jin Lu, Guoming Li, Jun Liu, Lingzi Hong, Caiwen Ding, Jundong Li, Xiaoming Zhai, Shaoyi Huang, Wei Niu, Geng Yuan
Abstract: Quantization is an effective technique to reduce the deployment cost of large language models (LLMs), and post-training quantization (PTQ) has been widely studied due to its efficiency. However, existing low-bit PTQ methods suffer from accuracy degradation because their layer-wise optimization introduces cumulative error propagation and misalignment between local reconstruction objectives and downstream performance. While quantization-aware training (QAT) provides a principled solution, its reliance on backpropagation incurs prohibitive data, time, and memory costs, limiting its practicality. To address these challenges, we propose ZeroQAT, a zeroth-order optimization-based QAT framework. ZeroQAT leverages forward-only gradient estimation to eliminate the need for backpropagation, significantly reducing computational and memory overhead while retaining the benefits of end-to-end optimization. Moreover, ZeroQAT jointly learns quantized weights, weight clipping thresholds, and equivalent transformations to mitigate quantization error and handle activation outliers. Experiments demonstrate that ZeroQAT achieves the efficiency of PTQ while retaining the accuracy of QAT, offering a practical solution for high-quality low-bit quantization of LLMs.
Authors: Mert Sehri, Ana Cardoso, Francisco de Assis Boldt, Patrick Dumond
Abstract: Steel casting processes are vulnerable to financial losses due to slag flow contamination, making accurate slag flow condition detection essential. This study introduces a novel cross-domain diagnostic method using vibration data collected from an industrial steel foundry to identify various stages of slag flow. A hybrid deep learning model combining one-dimensional convolutional neural networks and long short-term memory layers is implemented, tested, and benchmarked against a standard one-dimensional convolutional neural network. The proposed method processes raw time-domain vibration signals from accelerometers and evaluates performance across 16 distinct domains using a realistic cross-domain dataset split. Results show that the hybrid convolutional neural network and long short-term memory architecture, when combined with root mean square preprocessing and a selective embedding data loading strategy, achieves robust classification accuracy, outperforming traditional models and loading techniques. The highest test accuracy of 99.10 +/- 0.30 demonstrates the method's capability for generalization and industrial relevance. This work presents a practical and scalable solution for real-time slag flow monitoring, contributing to improved reliability and operational efficiency in steel manufacturing.
Authors: Yuxuan Yin, Rebecca Chen, Boxun Xu, Chen He, Peng Li
Abstract: Accurate prediction of chip performance is critical for ensuring energy efficiency and reliability in semiconductor manufacturing. However, developing minimum operating voltage ($V_{min}$) prediction models at advanced technology nodes is challenging due to limited training data and the complex relationship between process variations and $V_{min}$. To address these issues, we propose a novel transfer learning framework that leverages abundant legacy data from the 16nm technology node to enable accurate $V_{min}$ prediction at the advanced 5nm node. A key innovation of our approach is the integration of input features derived from on-chip silicon odometer sensor data, which provide fine-grained characterization of localized process variations -- an essential factor at the 5nm node -- resulting in significantly improved prediction accuracy.
Authors: Cheng Jin, Zhenyu Xiao, Yuantao Gu
Abstract: Diffusion models deliver state-of-the-art generative performance across diverse modalities but remain computationally expensive due to their inherently iterative sampling process. Existing training-free acceleration methods typically improve numerical solvers for the reverse-time ODE, yet their effectiveness is fundamentally constrained by the inefficiency of the underlying sampling trajectories. We propose A-FloPS (Adaptive Flow Path Sampler), a principled, training-free framework that reparameterizes the sampling trajectory of any pre-trained diffusion model into a flow-matching form and augments it with an adaptive velocity decomposition. The reparameterization analytically maps diffusion scores to flow-compatible velocities, yielding integration-friendly trajectories without retraining. The adaptive mechanism further factorizes the velocity field into a linear drift term and a residual component whose temporal variation is actively suppressed, restoring the accuracy benefits of high-order integration even in extremely low-NFE regimes. Extensive experiments on conditional image generation and text-to-image synthesis show that A-FloPS consistently outperforms state-of-the-art training-free samplers in both sample quality and efficiency. Notably, with as few as $5$ function evaluations, A-FloPS achieves substantially lower FID and generates sharper, more coherent images. The adaptive mechanism also improves native flow-based generative models, underscoring its generality. These results position A-FloPS as a versatile and effective solution for high-quality, low-latency generative modeling.
Authors: Chunming Ye, Songzhou Li, Xu Xu
Abstract: The performance of Large Language Models is influenced by their characteristics such as architecture, model sizes, decoding methods and so on. Due to differences in structure or function, the weights in different layers of large models have varying distributions. This paper explores the correlations between different types of layers in terms of weights distribution and studies the potential impact of these correlations on LoRA training effectiveness. Firstly, the study reveals that in the model the cosine distances between weights of different layers manifest power-law distribution. We extract Query-projection, down-projection and other weight matrices from the self-attention layers and MLP layers, calculate the singular values of the matrices using singular value decomposition, and organize a certain number of singular values into matrices according to projection's type. By analyzing the probability distribution of the cosine distances between these matrices, it is found that the cosine distances values between them have distinct power-law distribution characteristics. Secondly, based on the results of distance calculations and analysis across different layers of model, a qualitative method is proposed to describe the distribution characteristics of different models. Next, to construct weights that align with the distribution characteristics, a data generator is designed using a combination of Gaussian process and Pareto distribution functions. The generator is used to simulate the generation of data that aligns with specific distribution characteristics. Finally, based on the aforementioned distribution characteristics and data generation method, the weights in LoRA initialization are reshaped for training. Experimental results indicate that, without altering the model structure or training process, this method achieves a certain improvement in the performance of LoRA training.
Authors: Jina Kim
Abstract: Artificial neural networks (ANNs) continue to face challenges in continual learning, particularly due to catastrophic forgetting, the loss of previously learned knowledge when acquiring new tasks. Inspired by memory consolidation in the human brain, we investigate the internal replay mechanism proposed by~\citep{brain_inspired_replay1}, which reactivates latent representations of prior experiences during learning. As internal replay was identified as the most influential component among the brain-inspired mechanisms in their framework, it serves as the central focus of our in-depth investigation. Using the CIFAR-100 dataset in a class-incremental setting, we evaluate the effectiveness of internal replay, both in isolation and in combination with Synaptic Intelligence (SI). Our experiments show that internal replay significantly mitigates forgetting, especially when paired with SI, but at the cost of reduced initial task accuracy, highlighting a trade-off between memory stability and learning plasticity. Further analyses using log-likelihood distributions, reconstruction errors, silhouette scores, and UMAP projections reveal that internal replay increases representational overlap in latent space, potentially limiting task-specific differentiation. These results underscore the limitations of current brain-inspired methods and suggest future directions for balancing retention and adaptability in continual learning systems.
Authors: Mohammad Nooraiepour, Mohammad Masoudi, Zezhang Song, Helge Hellevang
Abstract: Accurate prediction of hydrogen sorption in clays, shales, and coals is vital for advancing underground hydrogen storage, natural hydrogen exploration, and radioactive waste containment. Traditional experimental methods, while foundational, are time-consuming, error-prone, and limited in capturing geological heterogeneity. This study introduces an adaptive physics-informed neural network (PINN) framework with multi-category feature engineering to enhance hydrogen sorption prediction. The framework integrates classical isotherm models with thermodynamic constraints to ensure physical consistency while leveraging deep learning flexibility. A comprehensive dataset consisting of 155 samples, which includes 50 clays, 60 shales, and 45 coals, was employed, incorporating diverse compositional properties and experimental conditions. Multi-category feature engineering across seven categories captured complex sorption dynamics. The PINN employs deep residual networks with multi-head attention, optimized via adaptive loss functions and Monte Carlo dropout for uncertainty quantification. K-fold cross-validation and hyperparameter optimization achieve significant accuracy (R2 = 0.979, RMSE = 0.045 mol per kg) with 67% faster convergence despite 15-fold increased complexity. The framework demonstrates robust lithology-specific performance across clay minerals (R2 = 0.981), shales (R2 = 0.971), and coals (R2 = 0.978), maintaining 85-91% reliability scores. Interpretability analysis via SHAP, accumulated local effects, and Friedman's H-statistics reveal that hydrogen adsorption capacity dominates predictions, while 86.7% of feature pairs exhibit strong interactions, validating the necessity of non-linear modeling approaches. This adaptive physics-informed framework accelerates site screening and enables risk-informed decision-making through robust uncertainty quantification.
Authors: David Kurtenbach, Megan Manly, Zach Metzinger
Abstract: We apply deep learning techniques for anomaly detection to analyze activity of Russian-owned resident space objects (RSO) prior to the Ukraine invasion and assess the results for any findings that can be used as indications and warnings (I&W) of aggressive military behavior for future conflicts. Through analysis of anomalous activity, an understanding of possible tactics and procedures can be established to assess the existence of statistically significant changes in Russian RSO pattern of life/pattern of behavior (PoL/PoB) using publicly available two-line element (TLE) data. This research looks at statistical and deep learning approaches to assess anomalous activity. The deep learning methods assessed are isolation forest (IF), traditional autoencoder (AE), variational autoencoder (VAE), Kolmogorov Arnold Network (KAN), and a novel anchor-loss based autoencoder (Anchor AE). Each model is used to establish a baseline of on-orbit activity based on a five-year data sample. The primary investigation period focuses on the six months leading up to the invasion date of February 24, 2022. Additional analysis looks at RSO activity during an active combat period by sampling TLE data after the invasion date. The deep learning autoencoder models identify anomalies based on reconstruction errors that surpass a threshold sigma. To capture the nuance and unique characteristics of each RSO an individual model was trained for each observed space object. The research made an effort to prioritize explainability and interpretability of the model results thus each observation was assessed for anomalous behavior of the individual six orbital elements versus analyzing the input data as a single monolithic observation. The results demonstrate not only statistically significant anomalies of Russian RSO activity but also details anomalous findings to the individual orbital element.
Authors: Yousuf Moiz Ali, Jaroslaw E. Prilepsky, Nicola Sambo, Joao Pedro, Mohammad M. Hosseini, Antonio Napoli, Sergei K. Turitsyn, Pedro Freire
Abstract: Machine learning-based failure management in optical networks has gained significant attention in recent years. However, severe class imbalance, where normal instances vastly outnumber failure cases, remains a considerable challenge. While pre- and in-processing techniques have been widely studied, post-processing methods are largely unexplored. In this work, we present a direct comparison of pre-, in-, and post-processing approaches for class imbalance mitigation in failure detection and identification using an experimental dataset. For failure detection, post-processing methods-particularly Threshold Adjustment-achieve the highest F1 score improvement (up to 15.3%), while Random Under-Sampling provides the fastest inference. In failure identification, GenAI methods deliver the most substantial performance gains (up to 24.2%), whereas post-processing shows limited impact in multi-class settings. When class overlap is present and latency is critical, over-sampling methods such as the SMOTE are most effective; without latency constraints, Meta-Learning yields the best results. In low-overlap scenarios, Generative AI approaches provide the highest performance with minimal inference time.
Authors: Chuanxiang Yang, Yuanfeng Zhou, Guangshun Wei, Siyu Ren, Yuan Liu, Junhui Hou, Wenping Wang
Abstract: Level-of-detail (LoD) representation is critical for efficiently modeling and transmitting various types of signals, such as images and 3D shapes. In this work, we present a novel neural architecture that supports LoD signal representation. Our architecture is based on an elaborate modification of the widely used Multi-Layer Perceptron (MLP), which inherently operates at a single scale and therefore lacks native support for LoD. Specifically, we introduce the Tailed Multi-Layer Perceptron (T-MLP) that extends the MLP by attaching multiple output branches, also called tails, to its hidden layers, enabling direct supervision at multiple depths. Our loss formulation and training strategy allow each hidden layer to effectively learn a target signal at a specific LoD, thus enabling multi-scale modeling. Extensive experimental results show that our T-MLP outperforms other neural LoD baselines across a variety of signal representation tasks.
Authors: Prasasthy Balasubramanian, Dumindu Kankanamge, Ekaterina Gilman, Mourad Oussalah
Abstract: Conversational AI and Large Language Models (LLMs) have become powerful tools across domains, including cybersecurity, where they help detect threats early and improve response times. However, challenges such as false positives and complex model management still limit trust. Although Explainable AI (XAI) aims to make AI decisions more transparent, many security analysts remain uncertain about its usefulness. This study presents a framework that detects anomalies and provides high-quality explanations through visual tools BERTViz and Captum, combined with natural language reports based on attention outputs. This reduces manual effort and speeds up remediation. Our comparative analysis showed that RoBERTa offers high accuracy (99.6 %) and strong anomaly detection, outperforming Falcon-7B and DeBERTa, as well as exhibiting better flexibility than large-scale Mistral-7B on the HDFS dataset from LogHub. User feedback confirms the chatbot's ease of use and improved understanding of anomalies, demonstrating the ability of the developed framework to strengthen cybersecurity workflows.
Authors: Shang Liu, Jing Wang, Wenji Fang, Zhiyao Xie
Abstract: In recent years, AI-assisted IC design methods have demonstrated great potential, but the availability of circuit design data is extremely limited, especially in the public domain. The lack of circuit data has become the primary bottleneck in developing AI-assisted IC design methods. In this work, we make the first attempt, SynCircuit, to generate new synthetic circuits with valid functionalities in the HDL format. SynCircuit automatically generates synthetic data using a framework with three innovative steps: 1) We propose a customized diffusion-based generative model to resolve the Directed Cyclic Graph (DCG) generation task, which has not been well explored in the AI community. 2) To ensure our circuit is valid, we enforce the circuit constraints by refining the initial graph generation outputs. 3) The Monte Carlo tree search (MCTS) method further optimizes the logic redundancy in the generated graph. Experimental results demonstrate that our proposed SynCircuit can generate more realistic synthetic circuits and enhance ML model performance in downstream circuit design tasks.
Authors: Ankit Shetgaonkar, Dipen Pradhan, Lakshit Arora, Sanjay Surendranath Girija, Shashank Kapoor, Aman Raj
Abstract: Generative Artificial Intelligence (GenAI), particularly Large Language Models (LLMs), offer powerful capabilities for interpreting the complex data landscape in healthcare. In this paper, we present a comprehensive overview of the capabilities, requirements and applications of GenAI for deriving clinical insights and improving clinical efficiency. We first provide some background on the forms and sources of patient data, namely real-time Remote Patient Monitoring (RPM) streams and traditional Electronic Health Records (EHRs). The sheer volume and heterogeneity of this combined data present significant challenges to clinicians and contribute to information overload. In addition, we explore the potential of LLM-powered applications for improving clinical efficiency. These applications can enhance navigation of longitudinal patient data and provide actionable clinical decision support through natural language dialogue. We discuss the opportunities this presents for streamlining clinician workflows and personalizing care, alongside critical challenges such as data integration complexity, ensuring data quality and RPM data reliability, maintaining patient privacy, validating AI outputs for clinical safety, mitigating bias, and ensuring clinical acceptance. We believe this work represents the first summarization of GenAI techniques for managing clinician data overload due to combined RPM / EHR data complexities.
Authors: Zachery Dahm, Konstantinos Vasili, Vasileios Theos, Konstantinos Gkouliaras, William Richards, True Miller, Brian Jowers, Stylianos Chatzidakis
Abstract: There is increased interest in applying Artificial Intelligence and Machine Learning (AI/ML) within the nuclear industry and nuclear engineering community. Effective implementation of AI/ML could offer benefits to the nuclear domain, including enhanced identification of anomalies, anticipation of system failures, and operational schedule optimization. However, limited work has been done to investigate the feasibility and applicability of AI/ML tools in a functioning nuclear reactor. Here, we go beyond the development of a single model and introduce a multi-layered AI/ML architecture that integrates both information technology and operational technology data streams to identify, characterize, and differentiate (i) among diverse cybersecurity events and (ii) between cyber events and other operational anomalies. Leveraging Purdue Universitys research reactor, PUR-1, we demonstrate this architecture through a representative use case that includes multiple concurrent false data injections and denial-of-service attacks of increasing complexity under realistic reactor conditions. The use case includes 14 system states (1 normal, 13 abnormal) and over 13.8 million multi-variate operational and information technology data points. The study demonstrated the capability of AI/ML to distinguish between normal, abnormal, and cybersecurity-related events, even under challenging conditions such as denial-of-service attacks. Combining operational and information technology data improved classification accuracy but posed challenges related to synchronization and collection during certain cyber events. While results indicate significant promise for AI/ML in nuclear cybersecurity, the findings also highlight the need for further refinement in handling complex event differentiation and multi-class architectures.
Authors: Laksh Patel, Neel Shanbhag
Abstract: Modern generative models risk overfitting and unintentionally memorizing rare training examples, which can be extracted by adversaries or inflate benchmark performance. We propose Generative Data Cartography (GenDataCarto), a data-centric framework that assigns each pretraining sample a difficulty score (early-epoch loss) and a memorization score (frequency of ``forget events''), then partitions examples into four quadrants to guide targeted pruning and up-/down-weighting. We prove that our memorization score lower-bounds classical influence under smoothness assumptions and that down-weighting high-memorization hotspots provably decreases the generalization gap via uniform stability bounds. Empirically, GenDataCarto reduces synthetic canary extraction success by over 40\% at just 10\% data pruning, while increasing validation perplexity by less than 0.5\%. These results demonstrate that principled data interventions can dramatically mitigate leakage with minimal cost to generative performance.
Authors: Qibin Wang, Pu Zhao, Shaohan Huang, Fangkai Yang, Lu Wang, Furu Wei, Qingwei Lin, Saravan Rajmohan, Dongmei Zhang
Abstract: To further enhance the ability of Large Language Models (LLMs) to solve complex, multi-step reasoning problems, test-time scaling (TTS) methods have gained widespread attention. Existing approaches such as Best-of-N and majority voting are limited as their performance depends on the quality of candidate responses, making them unable to produce a correct solution when all candidates are incorrect. Introducing an additional model to select the best response also incurs significant deployment costs. To this end, we introduce Generative Self-Refinement (GSR), a novel parallel test-time scaling framework where a unified model first generates a set of candidate responses in parallel and then performs self-refinement to synthesize a new superior solution based on a prompt consisting of the problem and these candidates. However, LLMs struggle to perform refinement effectively when prompted directly. Therefore, we design a hybrid training pipeline by jointly optimizing for two complementary objectives, solving problems directly and refining candidate responses. Experimental results demonstrate that our method achieves state-of-the-art performance across five mathematical benchmarks. We further show that this learned self-refinement skill is a model-agnostic enhancement, robust across different model scales and generalizing to out-of-distribution reasoning tasks.
Authors: Rodrigo Tertulino
Abstract: The application of data mining and artificial intelligence in education offers unprecedented potential for personalizing learning and early identification of at-risk students. However, the practical use of these techniques faces a significant barrier in privacy legislation, such as Brazil's General Data Protection Law (LGPD), which restricts the centralization of sensitive student data. To resolve this challenge, privacy-preserving computational approaches are required. The present study evaluates the feasibility and effectiveness of Federated Learning, specifically the FedProx algorithm, to predict student performance using microdata from the Brazilian Basic Education Assessment System (SAEB). A Deep Neural Network (DNN) model was trained in a federated manner, simulating a scenario with 50 schools, and its performance was rigorously benchmarked against a centralized eXtreme Gradient Boosting (XGBoost) model. The analysis, conducted on a universe of over two million student records, revealed that the centralized model achieved an accuracy of 63.96%. Remarkably, the federated model reached a peak accuracy of 61.23%, demonstrating a marginal performance loss in exchange for a robust privacy guarantee. The results indicate that Federated Learning is a viable and effective solution for building collaborative predictive models in the Brazilian educational context, in alignment with the requirements of the LGPD.
Authors: Mojtaba Moattari
Abstract: LSTM models used in current Machine Learning literature and applications, has a promising solution for permitting long term information using gating mechanisms that forget and reduce effect of current input information. However, even with this pipeline, they do not optimally focus on specific old index or long-term information. This paper elaborates upon input reordering approaches to prioritize certain input indices. Moreover, no LSTM based approach is found in the literature that examines weight normalization while choosing the right weight and exponent of Lp norms through main supervised loss function. In this paper, we find out which norm best finds relationship between weights to either smooth or sparsify them. Lastly, gates, as weighted representations of inputs and states, which control reduction-extent of current input versus previous inputs (~ state), are not nonlinearized enough (through a small FFNN). As analogous to attention mechanisms, gates easily filter current information to bold (emphasize on) past inputs. Nonlinearized gates can more easily tune up to peculiar nonlinearities of specific input in the past. This type of nonlinearization is not proposed in the literature, to the best of author's knowledge. The proposed approaches are implemented and compared with a simple LSTM to understand their performance in text classification tasks. The results show they improve accuracy of LSTM.
Authors: Li Dengjin, Guo Yanming, Xie Yuxiang, Li Zheng, Chen Jiangming, Li Xiaolong, Lao Mingrui
Abstract: Ensemble Adversarial Training (EAT) attempts to enhance the robustness of models against adversarial attacks by leveraging multiple models. However, current EAT strategies tend to train the sub-models independently, ignoring the cooperative benefits between sub-models. Through detailed inspections of the process of EAT, we find that that samples with classification disparities between sub-models are close to the decision boundary of ensemble, exerting greater influence on the robustness of ensemble. To this end, we propose a novel yet efficient Collaborative Ensemble Adversarial Training (CEAT), to highlight the cooperative learning among sub-models in the ensemble. To be specific, samples with larger predictive disparities between the sub-models will receive greater attention during the adversarial training of the other sub-models. CEAT leverages the probability disparities to adaptively assign weights to different samples, by incorporating a calibrating distance regularization. Extensive experiments on widely-adopted datasets show that our proposed method achieves the state-of-the-art performance over competitive EAT methods. It is noteworthy that CEAT is model-agnostic, which can be seamlessly adapted into various ensemble methods with flexible applicability.
Authors: G. Charbel N. Kindji (MALT), Elisa Fromont (MALT), Lina Maria Rojas-Barahona, Tanguy Urvoy
Abstract: The rise of powerful generative models has sparked concerns over data authenticity. While detection methods have been extensively developed for images and text, the case of tabular data, despite its ubiquity, has been largely overlooked. Yet, detecting synthetic tabular data is especially challenging due to its heterogeneous structure and unseen formats at test time. We address the underexplored task of detecting synthetic tabular data in the wild, where tables have variable and previously unseen schemas. We introduce a novel datum-wise transformer architecture that significantly outperforms the only previously published baseline, improving both AUC and accuracy by 7 points. By incorporating a table-adaptation component, our model gains an additional 7 accuracy points, demonstrating enhanced robustness. This work provides the first strong evidence that detecting synthetic tabular data in real-world conditions is not only feasible, but can be done with high reliability.
Authors: Prasun Nandy, Debjit Dhar, Rik Das
Abstract: Traditional budget allocation models struggle with the stochastic and nonlinear nature of real-world financial data. This study proposes a hybrid reinforcement learning (RL) framework for dynamic budget allocation, enhanced with Dirichlet-inspired stochasticity and quantum mutation-based genetic optimization. Using Apple Inc. quarterly financial data (2009 to 2025), the RL agent learns to allocate budgets between Research and Development and Selling, General and Administrative to maximize profitability while adhering to historical spending patterns, with L2 penalties discouraging unrealistic deviations. A Dirichlet distribution governs state evolution to simulate shifting financial contexts. To escape local minima and improve generalization, the trained policy is refined using genetic algorithms with quantum mutation via parameterized qubit rotation circuits. Generation-wise rewards and penalties are logged to visualize convergence and policy behavior. On unseen fiscal data, the model achieves high alignment with actual allocations (cosine similarity 0.9990, KL divergence 0.0023), demonstrating the promise of combining deep RL, stochastic modeling, and quantum-inspired heuristics for adaptive enterprise budgeting.
Authors: Yao Fu, Runchao Li, Xianxuan Long, Haotian Yu, Xiaotian Han, Yu Yin, Pan Li
Abstract: Neural network pruning has emerged as a promising approach for deploying LLMs in low-resource scenarios while preserving downstream task performance. However, for the first time, we reveal that such pruning disrupts LLMs' internal activation features crucial for lie detection, where probing classifiers (typically small logistic regression models) trained on these features assess the truthfulness of LLM-generated statements. This discovery raises a crucial open question: how can we prune LLMs without sacrificing these critical lie detection capabilities? Our investigation further reveals that naively adjusting layer-wise pruning sparsity based on importance inadvertently removes crucial weights, failing to improve lie detection performance despite its reliance on the most crucial LLM layer. To address this issue, we propose Truthful Pruning aligned by Layer-wise Outliers (TPLO), which places greater emphasis on layers with more activation outliers and stronger discriminative features simultaneously. This preserves LLMs' original performance while retaining critical features of inner states needed for robust lie detection. Moreover, we introduce a prompting rule to enrich the TruthfulQA benchmark for better calibrating LLM pruning. Empirical results show that our approach improves the hallucination detection for pruned LLMs (achieving 88% accuracy at 50% sparsity) and enhances their performance on TruthfulQA.
Authors: Kaiqi Zhao
Abstract: Neural network quantization aims to reduce the bit-widths of weights and activations, making it a critical technique for deploying deep neural networks on resource-constrained hardware. Most Quantization-Aware Training (QAT) methods rely on the Straight-Through Estimator (STE) to address the non-differentiability of discretization functions by replacing their derivatives with that of the identity function. While effective, STE overlooks discretization errors between continuous and quantized values, which can lead to accuracy degradation -- especially at extremely low bit-widths. In this paper, we propose Progressive Element-wise Gradient Estimation (PEGE), a simple yet effective alternative to STE, which can be seamlessly integrated with any forward propagation methods and improves the quantized model accuracy. PEGE progressively replaces full-precision weights and activations with their quantized counterparts via a novel logarithmic curriculum-driven mixed-precision replacement strategy. Then it formulates QAT as a co-optimization problem that simultaneously minimizes the task loss for prediction and the discretization error for quantization, providing a unified and generalizable framework. Extensive experiments on CIFAR-10 and ImageNet across various architectures (e.g., ResNet, VGG) demonstrate that PEGE consistently outperforms existing backpropagation methods and enables low-precision models to match or even outperform the accuracy of their full-precision counterparts.
Authors: Huixiang Zhang, Mahzabeen Emu, Salimur Choudhury
Abstract: Quantum annealing offers a promising paradigm for solving NP-hard combinatorial optimization problems, but its practical application is severely hindered by two challenges: the complex, manual process of translating problem descriptions into the requisite Quadratic Unconstrained Binary Optimization (QUBO) format and the scalability limitations of current quantum hardware. To address these obstacles, we propose a novel end-to-end framework, LLM-QUBO, that automates this entire formulation-to-solution pipeline. Our system leverages a Large Language Model (LLM) to parse natural language, automatically generating a structured mathematical representation. To overcome hardware limitations, we integrate a hybrid quantum-classical Benders' decomposition method. This approach partitions the problem, compiling the combinatorial complex master problem into a compact QUBO format, while delegating linearly structured sub-problems to classical solvers. The correctness of the generated QUBO and the scalability of the hybrid approach are validated using classical solvers, establishing a robust performance baseline and demonstrating the framework's readiness for quantum hardware. Our primary contribution is a synergistic computing paradigm that bridges classical AI and quantum computing, addressing key challenges in the practical application of optimization problem. This automated workflow significantly reduces the barrier to entry, providing a viable pathway to transform quantum devices into accessible accelerators for large-scale, real-world optimization challenges.
Authors: Phu X. Nguyen, Huy Phan, Hieu Pham, Christos Chatzichristos, Bert Vandenberk, Maarten De Vos
Abstract: Transformer-based foundation models for Electrocardiograms (ECGs) have recently achieved impressive performance in many downstream applications. However, the internal representations of such models across layers have not been fully understood and exploited. An important question arises: Does the final layer of the pre-trained Transformer model, the \emph{de facto} representational layer, provide optimal performance for downstream tasks? Although our answer based on empirical and theoretical analyses for this question is negative, we propose a novel approach to leverage the representation diversity of the model's layers effectively. Specifically, we introduce a novel architecture called Post-pretraining Mixture-of-layers Aggregation (PMA), which enables a flexible combination of the layer-wise representations from the layer stack of a Transformer-based foundation model. We first pre-train the model from ECG signals using the 1-dimensional Vision Transformer (ViT) via masked modeling. In downstream applications, instead of relying solely on the last layer of the model, we employ a gating network to selectively fuse the representations from the pretrained model's layers, thereby enhancing representation power and improving performance of the downstream applications. In addition, we extend the proposed method to the pretraining stage by aggregating all representations through group-wise averaging before feeding them into the decoder-based Transformer.
Authors: Robert MacKnight, Jose Emilio Regio, Jeffrey G. Ethier, Luke A. Baldwin, Gabe Gomes
Abstract: Modern optimization in experimental chemistry employs algorithmic search through black-box parameter spaces. Here we demonstrate that pre-trained knowledge in large language models (LLMs) fundamentally changes this paradigm. Using six fully enumerated categorical reaction datasets (768 - 5,684 experiments), we benchmark LLM-guided optimization (LLM-GO) against Bayesian optimization (BO) and random sampling. Frontier LLMs consistently match or exceed BO performance across five single-objective datasets, with advantages growing as parameter complexity increases and high-performing conditions become scarce (<5% of space). BO retains superiority only for explicit multi-objective trade-offs. To understand these contrasting behaviors, we introduce a topology-agnostic information theory framework quantifying sampling diversity throughout optimization campaigns. This analysis reveals that LLMs maintain systematically higher exploration entropy than BO across all datasets while achieving superior performance, with advantages most pronounced in solution-scarce parameter spaces where high-entropy exploration typically fails - suggesting that pre-trained domain knowledge enables more effective navigation of chemical parameter space rather than replacing structured exploration strategies. To enable transparent benchmarking and community validation, we release Iron Mind (https://gomes.andrew.cmu.edu/iron-mind), a no-code platform for side-by-side evaluation of human, algorithmic, and LLM optimization campaigns with public leaderboards and complete trajectories. Our findings establish that LLM-GO excels precisely where traditional methods struggle: complex categorical spaces requiring domain understanding rather than mathematical optimization.
Authors: Pedro Savarese
Abstract: Recent progress in deep learning has been driven by increasingly larger models. However, their computational and energy demands have grown proportionally, creating significant barriers to their deployment and to a wider adoption of deep learning technologies. This thesis investigates principled approximation methods for improving the efficiency of deep learning systems, with a particular focus on settings that involve discrete constraints and non-differentiability. We study three main approaches toward improved efficiency: architecture design, model compression, and optimization. For model compression, we propose novel approximations for pruning and quantization that frame the underlying discrete problem as continuous and differentiable, enabling gradient-based training of compression schemes alongside the model's parameters. These approximations allow for fine-grained sparsity and precision configurations, leading to highly compact models without significant fine-tuning. In the context of architecture design, we design an algorithm for neural architecture search that leverages parameter sharing across layers to efficiently explore implicitly recurrent architectures. Finally, we study adaptive optimization, revisiting theoretical properties of widely used methods and proposing an adaptive optimizer that allows for quick hyperparameter tuning. Our contributions center on tackling computationally hard problems via scalable and principled approximations. Experimental results on image classification, language modeling, and generative modeling tasks show that the proposed methods provide significant improvements in terms of training and inference efficiency while maintaining, or even improving, the model's performance.
Authors: Hongyu Wang, Jingquan Wang, Dan Negrut
Abstract: Data-driven modeling of constrained multibody systems faces two persistent challenges: high computational cost and limited long-term prediction accuracy. To address these issues, we introduce the Flow-Matching Neural Ordinary Differential Equation (FNODE), a framework that learns acceleration vector fields directly from trajectory data. By reformulating the training objective to supervise accelerations rather than integrated states, FNODE eliminates the need for backpropagation through an ODE solver, which represents a bottleneck in traditional Neural ODEs. Acceleration targets are computed efficiently using numerical differentiation techniques, including a hybrid Fast Fourier Transform (FFT) and Finite Difference (FD) scheme. We evaluate FNODE on a diverse set of benchmarks, including the single and triple mass-spring-damper systems, double pendulum, slider-crank, and cart-pole. Across all cases, FNODE consistently outperforms existing approaches such as Multi-Body Dynamic Neural ODE (MBD-NODE), Long Short-Term Memory (LSTM) networks, and Fully Connected Neural Networks (FCNN), demonstrating good accuracy, generalization, and computational efficiency.
Authors: Hao Mark Chen, Zhiwen Mo, Guanxi Lu, Shuang Liang, Lingxiao Ma, Wayne Luk, Hongxiang Fan
Abstract: Deploying agentic AI on edge devices is crucial for privacy and responsiveness, but memory constraints typically relegate these systems to smaller Large Language Models (LLMs) with inferior reasoning capabilities. Test-Time Scaling (TTS) can bridge this reasoning gap by dedicating more compute during inference, but existing methods incur prohibitive overhead on edge hardware. To overcome this, we introduce FlashTTS, a serving system that makes TTS practical for memory-constrained LLM reasoning. FlashTTS introduces three synergistic optimizations: (i) Speculative Beam Extension to mitigate system stragglers from irregular reasoning paths; (ii) Asymmetric Multi-Model Memory Allocation to dynamically balance memory between generation and verification; and (iii) Dynamic Prefix-Aware Scheduling to maximize KV-cache reuse. Built as a plug-and-play library for vLLM, FlashTTS enables edge LLMs on a single consumer GPU (24 GB) to match the accuracy and latency of large cloud models. Our evaluation demonstrates that FlashTTS achieves an average 2.2x higher goodput and reduces latency by 38%-68% compared to a vLLM baseline, paving the way for democratized, high-performance agentic AI on edge devices.
Authors: Zhongpan Tang
Abstract: Although the Transformer has become the cornerstone of modern AI, its autoregressive inference suffers from a linearly growing KV Cache and a computational complexity of O(N^2 d), severely hindering its ability to process ultra-long sequences. To overcome this limitation, this paper introduces the TConstFormer architecture, building upon our previous work, TLinFormer. TConstFormer employs an innovative periodic state update mechanism to achieve a truly constant-size O(1) KV Cache. The computational complexity of this mechanism is also O(1) in an amortized sense: it performs purely constant-time computations for $k-1$ consecutive steps (e.g., $k=256$) and executes a single linear-time global information synchronization only on the $k$-th step. Theoretical calculations and experimental results demonstrate that TConstFormer exhibits an overwhelming advantage over baseline models in terms of speed, memory efficiency, and overall performance on long-text inference tasks. This breakthrough paves the way for efficient and robust streaming language model applications.
Authors: Xuyang Li, Mahdi Masmoudi, Rami Gharbi, Nizar Lajnef, Vishnu Naresh Boddeti
Abstract: Parameterized partial differential equations (PDEs) underpin the mathematical modeling of complex systems in diverse domains, including engineering, healthcare, and physics. A central challenge in using PDEs for real-world applications is to accurately infer the parameters, particularly when the parameters exhibit non-linear and spatiotemporal variations. Existing parameter estimation methods, such as sparse identification and physics-informed neural networks (PINNs), struggle in such cases, especially with nonlinear dynamics, multiphysics interactions, or limited observations of the system response. To address these challenges, we introduce Neptune, a general-purpose method capable of inferring parameter fields from sparse measurements of system responses. Neptune employs independent coordinate neural networks to continuously represent each parameter field in physical space or in state variables. Across various physical and biomedical problems, where direct parameter measurements are prohibitively expensive or unattainable, Neptune significantly outperforms existing methods, achieving robust parameter estimation from as few as 50 observations, reducing parameter estimation errors by two orders of magnitude and dynamic response prediction errors by a factor of ten compared to PINNs. Furthermore, Neptune exhibits superior extrapolation capabilities, enabling accurate predictions in regimes beyond training data where PINN fail. By facilitating reliable and data-efficient parameter inference, Neptune promises broad transformative impacts in engineering, healthcare, and beyond.
Authors: Ruokai Yin, Sattwik Deb Mishra, Xuan Zuo, Hokchhay Tann, Preyas Shah, Apala Guha
Abstract: Distributed LLM inference requires careful coordination of parallelization strategies across hundreds to thousands of NPUs to meet production SLOs. Current systems like Megatron-LM rely on static heuristics that separately configure parallelism degrees and per-operator sharding dimensions, leaving significant performance on the table as models scale and hardware topologies diversify. We introduce Learn to Shard, to our knowledge, the first RL-based approach to co-optimize both coarse-grained parallelism degrees and fine-grained per-operator sharding dimensions for distributed LLM inference. Our method employs an attention-based policy over an elite history that learns from high-performing strategies to efficiently navigate the vast combinatorial search space. Evaluated on H100 clusters with MoE models up to 1.6T parameters, Learn to Shard achieves up to 3.5x throughput improvement over metaheuristic baselines and 1.06x over Megatron heuristics.
Authors: Jaya Narain, Zakaria Aldeneh, Shirley Ren
Abstract: Both speech and sensor time series data encode information in both the time- and frequency- domains, like spectral powers and waveform shapelets. We show that speech foundation models learn representations that are domain-independent and achieve state-of-the-art performance on time series tasks from wearable sensors. Probes trained on features extracted from HuBERT and wav2vec 2.0 outperform those extracted from self-supervised models trained directly on modality specific datasets for mood classification, arrhythmia detection, and activity classification tasks. We find a particularly strong relevance of the convolutional feature encoders from speech models for wearable sensor tasks. The methods proposed here improve performance and robustness for data-scarce time series tasks, using simple probing methods. This work is a step towards generalized time series models for speech and sensor data, a topic for further exploration.
Authors: Stefan-Alexandru Jura, Mihai Udrescu, Alexandru Topirceanu
Abstract: Long-range time series forecasting remains challenging, as it requires capturing non-stationary and multi-scale temporal dependencies while maintaining noise robustness, efficiency, and stability. Transformer-based architectures such as Autoformer and Informer improve generalization but suffer from quadratic complexity and degraded performance on very long time horizons. State space models, notably S-Mamba, provide linear-time updates but often face unstable training dynamics, sensitivity to initialization, and limited robustness for multivariate forecasting. To address such challenges, we propose the Quantum-Optimized Selective State Space Model (Q-SSM), a hybrid quantum-optimized approach that integrates state space dynamics with a variational quantum gate. Instead of relying on expensive attention mechanisms, Q-SSM employs a simple parametrized quantum circuit (RY-RX ansatz) whose expectation values regulate memory updates adaptively. This quantum gating mechanism improves convergence stability, enhances the modeling of long-term dependencies, and provides a lightweight alternative to attention. We empirically validate Q-SSM on three widely used benchmarks, i.e., ETT, Traffic, and Exchange Rate. Results show that Q-SSM consistently improves over strong baselines (LSTM, TCN, Reformer), Transformer-based models, and S-Mamba. These findings demonstrate that variational quantum gating can address current limitations in long-range forecasting, leading to accurate and robust multivariate predictions.
Authors: Ahmed E. Helal, Fabio Checconi, Jan Laukemann, Yongseok Soh, Jesmin Jahan Tithi, Fabrizio Petrini, Jee Choi
Abstract: Tensor decomposition (TD) is essential for analyzing high-dimensional sparse data, yet its irregular computations and memory-access patterns pose major performance challenges on modern parallel processors. Prior works rely on expert-designed sparse tensor formats that fail to adapt to irregular tensor shapes and/or highly variable data distributions. We present the reinforcement-learned adaptive tensor encoding (ReLATE) framework, a novel learning-augmented method that automatically constructs efficient sparse tensor representations without labeled training samples. ReLATE employs an autonomous agent that discovers optimized tensor encodings through direct interaction with the TD environment, leveraging a hybrid model-free and model-based algorithm to learn from both real and imagined actions. Moreover, ReLATE introduces rule-driven action masking and dynamics-informed action filtering mechanisms that ensure functionally correct tensor encoding with bounded execution time, even during early learning stages. By automatically adapting to both irregular tensor shapes and data distributions, ReLATE generates sparse tensor representations that consistently outperform expert-designed formats across diverse sparse tensor data sets, achieving up to 2X speedup compared to the best sparse format, with a geometric-mean speedup of 1.4-1.46X.
Authors: Ezra Erives, Bowen Jing, Peter Holderrieth, Tommi Jaakkola
Abstract: Annealing-based neural samplers seek to amortize sampling from unnormalized distributions by training neural networks to transport a family of densities interpolating from source to target. A crucial design choice in the training phase of such samplers is the proposal distribution by which locations are generated at which to evaluate the loss. Previous work has obtained such a proposal distribution by combining a partially learned transport with annealed Langevin dynamics. However, isolated modes and other pathological properties of the annealing path imply that such proposals achieve insufficient exploration and thereby lower performance post training. To remedy this, we propose continuously tempered diffusion samplers, which leverage exploration techniques developed in the context of molecular dynamics to improve proposal distributions. Specifically, a family of distributions across different temperatures is introduced to lower energy barriers at higher temperatures and drive exploration at the lower temperature of interest. We empirically validate improved sampler performance driven by extended exploration. Code is available at https://github.com/eje24/ctds.
Authors: Renat Sergazinov, Shao-An Yin
Abstract: TabPFN v2 achieves better results than tree-based models on several tabular benchmarks, which is notable since tree-based models are usually the strongest choice for tabular data. However, it cannot handle more than 10K context tokens because transformers have quadratic computation and memory costs. Unlike existing approaches that rely on context compression, such as selecting representative samples via K-nearest neighbors (KNN), we introduce a \textbf{tiled-block} strategy to compute attention within the TabPFN framework. This design is compatible with standard GPU setups and, to the best of our knowledge, is the first to enable TabPFN to \textbf{process long contexts without any pre-processing}. We demonstrate the effectiveness of our approach on the standard TabArena benchmark.
Authors: Rahul Raja, Arpita Vats
Abstract: Learning and evaluating recommender systems from logged implicit feedback is challenging due to exposure bias. While inverse propensity scoring (IPS) corrects this bias, it often suffers from high variance and instability. In this paper, we present a simple and effective pipeline that integrates IPS-weighted training with an IPS-weighted Bayesian Personalized Ranking (BPR) objective augmented by a Propensity Regularizer (PR). We compare Direct Method (DM), IPS, and Self-Normalized IPS (SNIPS) for offline policy evaluation, and demonstrate how IPS-weighted training improves model robustness under biased exposure. The proposed PR further mitigates variance amplification from extreme propensity weights, leading to more stable estimates. Experiments on synthetic and MovieLens 100K data show that our approach generalizes better under unbiased exposure while reducing evaluation variance compared to naive and standard IPS methods, offering practical guidance for counterfactual learning and evaluation in real-world recommendation settings.
Authors: An B. Vuong, Michael T. McCann, Javier E. Santos, Yen Ting Lin
Abstract: Diffusion models are commonly interpreted as learning the score function, i.e., the gradient of the log-density of noisy data. However, this assumption implies that the target of learning is a conservative vector field, which is not enforced by the neural network architectures used in practice. We present numerical evidence that trained diffusion networks violate both integral and differential constraints required of true score functions, demonstrating that the learned vector fields are not conservative. Despite this, the models perform remarkably well as generative mechanisms. To explain this apparent paradox, we advocate a new theoretical perspective: diffusion training is better understood as flow matching to the velocity field of a Wasserstein Gradient Flow (WGF), rather than as score learning for a reverse-time stochastic differential equation. Under this view, the "probability flow" arises naturally from the WGF framework, eliminating the need to invoke reverse-time SDE theory and clarifying why generative sampling remains successful even when the neural vector field is not a true score. We further show that non-conservative errors from neural approximation do not necessarily harm density transport. Our results advocate for adopting the WGF perspective as a principled, elegant, and theoretically grounded framework for understanding diffusion generative models.
Authors: Mikael Henaff, Scott Fujimoto, Michael Rabbat
Abstract: Hierarchical reinforcement learning (RL) has the potential to enable effective decision-making over long timescales. Existing approaches, while promising, have yet to realize the benefits of large-scale training. In this work, we identify and solve several key challenges in scaling hierarchical RL to high-throughput environments. We propose Scalable Option Learning (SOL), a highly scalable hierarchical RL algorithm which achieves a 25x higher throughput compared to existing hierarchical methods. We train our hierarchical agents using 20 billion frames of experience on the complex game of NetHack, significantly surpassing flat agents and demonstrating positive scaling trends. We also validate our algorithm on MiniHack and Mujoco environments, showcasing its general applicability. Our code is open sourced at github.com/facebookresearch/sol.
Authors: Hanping Zhang, Yuhong Guo
Abstract: Reinforcement Learning (RL) is known for its strong decision-making capabilities and has been widely applied in various real-world scenarios. However, with the increasing availability of offline datasets and the lack of well-designed online environments from human experts, the challenge of generalization in offline RL has become more prominent. Due to the limitations of offline data, RL agents trained solely on collected experiences often struggle to generalize to new tasks or environments. To address this challenge, we propose LLM-Driven Policy Diffusion (LLMDPD), a novel approach that enhances generalization in offline RL using task-specific prompts. Our method incorporates both text-based task descriptions and trajectory prompts to guide policy learning. We leverage a large language model (LLM) to process text-based prompts, utilizing its natural language understanding and extensive knowledge base to provide rich task-relevant context. Simultaneously, we encode trajectory prompts using a transformer model, capturing structured behavioral patterns within the underlying transition dynamics. These prompts serve as conditional inputs to a context-aware policy-level diffusion model, enabling the RL agent to generalize effectively to unseen tasks. Our experimental results demonstrate that LLMDPD outperforms state-of-the-art offline RL methods on unseen tasks, highlighting its effectiveness in improving generalization and adaptability in diverse settings.
Authors: Shixiao Liang, Wang Chen, Keke Long, Peng Zhang, Xiaopeng Li, Jintao Ke
Abstract: Intensive studies have been conducted in recent years to integrate neural networks with physics models to balance model accuracy and interpretability. One recently proposed approach, named Physics-Enhanced Residual Learning (PERL), is to use learning to estimate the residual between the physics model prediction and the ground truth. Numeral examples suggested that integrating such residual with physics models in PERL has three advantages: (1) a reduction in the number of required neural network parameters; (2) faster convergence rates; and (3) fewer training samples needed for the same computational precision. However, these numerical results lack theoretical justification and cannot be adequately explained. This paper aims to explain these advantages of PERL from a theoretical perspective. We investigate a general class of problems with Lipschitz continuity properties. By examining the relationships between the bounds to the loss function and residual learning structure, this study rigorously proves a set of theorems explaining the three advantages of PERL. Several numerical examples in the context of automated vehicle trajectory prediction are conducted to illustrate the proposed theorems. The results confirm that, even with significantly fewer training samples, PERL consistently achieves higher accuracy than a pure neural network. These results demonstrate the practical value of PERL in real world autonomous driving applications where corner case data are costly or hard to obtain. PERL therefore improves predictive performance while reducing the amount of data required.
Authors: Hyungu Lee, Taehyeong Kim, Hayoung Choi
Abstract: Stable and efficient training of ReLU networks with large depth is highly sensitive to weight initialization. Improper initialization can cause permanent neuron inactivation dying ReLU and exacerbate gradient instability as network depth increases. Methods such as He, Xavier, and orthogonal initialization preserve variance or promote approximate isometry. However, they do not necessarily regulate the pre-activation mean or control activation sparsity, and their effectiveness often diminishes in very deep architectures. This work introduces an orthogonal initialization specifically optimized for ReLU by solving an optimization problem on the Stiefel manifold, thereby preserving scale and calibrating the pre-activation statistics from the outset. A family of closed-form solutions and an efficient sampling scheme are derived. Theoretical analysis at initialization shows that prevention of the dying ReLU problem, slower decay of activation variance, and mitigation of gradient vanishing, which together stabilize signal and gradient flow in deep architectures. Empirically, across MNIST, Fashion-MNIST, multiple tabular datasets, few-shot settings, and ReLU-family activations, our method outperforms previous initializations and enables stable training in deep networks.
Authors: Jinluan Yang, Ruihao Zhang, Zhengyu Chen, Fei Wu, Kun Kuang
Abstract: This paper studies the vulnerability of Graph Neural Networks (GNNs) to adversarial attacks on node features and graph structure. Various methods have implemented adversarial training to augment graph data, aiming to bolster the robustness and generalization of GNNs. These methods typically involve applying perturbations to the node feature, weights, or graph structure and subsequently minimizing the loss by learning more robust graph model parameters under the adversarial perturbations. Despite the effectiveness of adversarial training in enhancing GNNs' robustness and generalization abilities, its application has been largely confined to specific datasets and GNN types. In this paper, we propose a novel method, PerturbEmbedding, that integrates adversarial perturbation and training, enhancing GNNs' resilience to such attacks and improving their generalization ability. PerturbEmbedding performs perturbation operations directly on every hidden embedding of GNNs and provides a unified framework for most existing perturbation strategies/methods. We also offer a unified perspective on the forms of perturbations, namely random and adversarial perturbations. Through experiments on various datasets using different backbone models, we demonstrate that PerturbEmbedding significantly improves both the robustness and generalization abilities of GNNs, outperforming existing methods. The rejection of both random (non-targeted) and adversarial (targeted) perturbations further enhances the backbone model's performance.
Authors: Minku Kang, Hogun Park
Abstract: Subgraph Federated Learning (FL) aims to train Graph Neural Networks (GNNs) across distributed private subgraphs, but it suffers from severe data heterogeneity. To mitigate data heterogeneity, weighted model aggregation personalizes each local GNN by assigning larger weights to parameters from clients with similar subgraph characteristics inferred from their current model states. However, the sparse and biased subgraphs often trigger rapid overfitting, causing the estimated client similarity matrix to stagnate or even collapse. As a result, aggregation loses effectiveness as clients reinforce their own biases instead of exploiting diverse knowledge otherwise available. To this end, we propose a novel personalized subgraph FL framework called Curriculum guided personalized sUbgraph Federated Learning (CUFL). On the client side, CUFL adopts Curriculum Learning (CL) that adaptively selects edges for training according to their reconstruction scores, exposing each GNN first to easier, generic cross-client substructures and only later to harder, client-specific ones. This paced exposure prevents early overfitting to biased patterns and enables gradual personalization. By regulating personalization, the curriculum also reshapes server aggregation from exchanging generic knowledge to propagating client-specific knowledge. Further, CUFL improves weighted aggregation by estimating client similarity using fine-grained structural indicators reconstructed on a random reference graph. Extensive experiments on six benchmark datasets confirm that CUFL achieves superior performance compared to relevant baselines. Code is available at https://github.com/Kang-Min-Ku/CUFL.git.
Authors: Hengjie Cao, Mengyi Chen, Yifeng Yang, Ruijun Huang, Fang Dong, Jixian Zhou, Anrui Chen, Mingzhi Dong, Yujiang Wang, Jinlong Hou, Yuan Cheng, Fan Wu, Fan Yang, Tun Lu, Ning Gu, Li Shang
Abstract: This work identifies anisotropic parameter distributions as a fundamental barrier to training large language models (LLMs) with low-bit quantization: a few dominant singular values create wide numerical ranges that conflict with the inherent bias of block-wise quantization. This bias disproportionately preserves high-magnitude values while discarding smaller ones, causing training instability and low model performance. This work introduces Metis, a training framework that combines (i) spectral decomposition with random embedding to efficiently disentangle dominant from long-tail components, compressing broad distributions into quantization-friendly narrow ranges; (ii) adaptive learning rates in the spectral domain to amplify underrepresented directions and better capture diverse features critical for performance; and (iii) a dual-range regularizer that jointly constrains numerical precision and parameter range distribution, ensuring stable, unbiased low-bit training. With Metis, FP8 training surpasses FP32 baselines, and FP4 training achieves accuracy comparable to FP32, paving the way for robust and scalable LLM training under advanced low-bit quantization. The code implementation for Metis is available at: https://github.com/typename-yyf/Metis-quantization.
Authors: Rahul Meshram, Kesav Kaza
Abstract: Partially observable restless multi-armed bandits have found numerous applications including in recommendation systems, communication systems, public healthcare outreach systems, and in operations research. We study multi-action partially observable restless multi-armed bandits, it is a generalization of the classical restless multi-armed bandit problem -- 1) each bandit has finite states, and the current state is not observable, 2) each bandit has finite actions. In particular, we assume that more than two actions are available for each bandit. We motivate our problem with the application of public-health intervention planning. We describe the model and formulate a long term discounted optimization problem, where the state of each bandit evolves according to a Markov process, and this evolution is action dependent. The state of a bandit is not observable but one of finitely many feedback signals are observable. Each bandit yields a reward, based on the action taken on that bandit. The agent is assumed to have a budget constraint. The bandits are assumed to be independent. However, they are weakly coupled at the agent through the budget constraint. We first analyze the Lagrangian bound method for our partially observable restless bandits. The computation of optimal value functions for finite-state, finite-action POMDPs is non-trivial. Hence, the computation of Lagrangian bounds is also challenging. We describe approximations for the computation of Lagrangian bounds using point based value iteration (PBVI) and online rollout policy. We further present various properties of the value functions and provide theoretical insights on PBVI and online rollout policy. We study heuristic policies for multi-actions PORMAB. Finally, we discuss present Whittle index policies and their limitations in our model.
Authors: Maxime Meyer, Mario Michelessa, Caroline Chaux, Vincent Y. F. Tan
Abstract: Despite the empirical success of prompt tuning in adapting pretrained language models to new tasks, theoretical analyses of its capabilities remain limited. Existing theoretical work primarily addresses universal approximation properties, demonstrating results comparable to standard weight tuning. In this paper, we explore a different aspect of the theory of transformers: the memorization capability of prompt tuning. We provide two principal theoretical contributions. First, we prove that the amount of information memorized by a transformer cannot scale faster than linearly with the prompt length. Second, and more importantly, we present the first formal proof of a phenomenon empirically observed in large language models: performance degradation in transformers with extended contexts. We rigorously demonstrate that transformers inherently have limited memory, constraining the amount of information they can retain, regardless of the context size. This finding offers a fundamental understanding of the intrinsic limitations of transformer architectures, particularly their ability to handle long sequences.
Authors: Filip Szatkowski, Patryk B\k{e}dkowski, Alessio Devoto, Jan Dubi\'nski, Pasquale Minervini, Miko{\l}aj Pi\'orczy\'nski, Simone Scardapane, Bartosz W\'ojcik
Abstract: Input-dependent activation sparsity is a notable property of deep learning models, which has been extensively studied in networks with ReLU activations and is associated with efficiency, robustness, and interpretability. However, the approaches developed for ReLU-based models depend on exact zero activations and do not transfer directly to modern large language models~(LLMs), which have abandoned ReLU in favor of other activation functions. As a result, current work on activation sparsity in LLMs is fragmented, model-specific, and lacks consensus on which components to target. We propose a general framework to assess sparsity robustness and present a systematic study of the phenomenon in the FFN layers of modern LLMs, including diffusion LLMs. Our findings reveal universal patterns of activation sparsity in LLMs, provide insights into this phenomenon, and offer practical guidelines for exploiting it in model design and acceleration.
Authors: Aditya Kasliwal, Franziska Boenisch, Adam Dziedzic
Abstract: Image AutoRegressive (IAR) models have achieved state-of-the-art performance in speed and quality of generated images. However, they also raise concerns about memorization of their training data and its implications for privacy. This work explores where and how such memorization occurs within different image autoregressive architectures by measuring a fine-grained memorization. The analysis reveals that memorization patterns differ across various architectures of IARs. In hierarchical per-resolution architectures, it tends to emerge early and deepen with resolutions, while in IARs with standard autoregressive per token prediction, it concentrates in later processing stages. These localization of memorization patterns are further connected to IARs' ability to memorize and leak training data. By intervening on their most memorizing components, we significantly reduce the capacity for data extraction from IARs with minimal impact on the quality of generated images. These findings offer new insights into the internal behavior of image generative models and point toward practical strategies for mitigating privacy risks.
Authors: Xinyu Ji, Chengcheng Yan, Jibiao Yuan, Fiefie Zhao
Abstract: Traffic forecasting is significant for urban traffic management, intelligent route planning, and real-time flow monitoring. Recent advances in spatial-temporal models have markedly improved the modeling of intricate spatial-temporal correlations for traffic forecasting. Unfortunately, most previous studies have encountered challenges in effectively modeling spatial-temporal correlations across various perceptual perspectives, which have neglected the interactive fusion between traffic patterns and spatial correlations. Additionally, constrained by spatial heterogeneity, most studies fail to consider distinct regional heterogeneity during message-passing. To overcome these limitations, we propose a Pattern-Spatial Interactive and Regional Awareness Graph Convolutional Network (PSIRAGCN) for traffic forecasting. Specifically, we propose a pattern-spatial interactive fusion framework composed of pattern and spatial modules. This framework aims to capture patterns and spatial correlations by adopting a perception perspective from the global to the local level and facilitating mutual utilization with positive feedback. In the spatial module, we designed a graph convolutional network based on message-passing. The network is designed to leverage a regional characteristics bank to reconstruct data-driven message-passing with regional awareness. Reconstructed message passing can reveal the regional heterogeneity between nodes in the traffic network. Extensive experiments on three real-world traffic datasets demonstrate that PSIRAGCN outperforms the State-of-the-art baseline while balancing computational costs.
Authors: Gavin Wong, Ping Shu Ho, Ivan Au Yeung, Ka Chun Cheung, Simon See
Abstract: Biological pathways map gene-gene interactions that govern all human processes. Despite their importance, most ML models treat genes as unstructured tokens, discarding known pathway structure. The latest pathway-informed models capture pathway-pathway interactions, but still treat each pathway as a "bag of genes" via MLPs, discarding its topology and gene-gene interactions. We propose a Graph Attention Network (GAT) framework that models pathways at the gene level. We show that GATs generalize much better than MLPs, achieving an 81% reduction in MSE when predicting pathway dynamics under unseen treatment conditions. We further validate the correctness of our biological prior by encoding drug mechanisms via edge interventions, boosting model robustness. Finally, we show that our GAT model is able to correctly rediscover all five gene-gene interactions in the canonical TP53-MDM2-MDM4 feedback loop from raw time-series mRNA data, demonstrating potential to generate novel biological hypotheses directly from experimental data.
Authors: Xiangyu Zhang, Mang Ye
Abstract: In federated learning, participants' uploaded model updates cannot be directly verified, leaving the system vulnerable to malicious attacks. Existing attack strategies have adversaries upload tampered model updates to degrade the global model's performance. However, attackers also degrade their own private models, gaining no advantage. In real-world scenarios, attackers are driven by self-centered motives: their goal is to gain a competitive advantage by developing a model that outperforms those of other participants, not merely to cause disruption. In this paper, we study a novel Self-Centered Federated Learning (SCFL) attack paradigm, in which attackers not only degrade the performance of the global model through attacks but also enhance their own models within the federated learning process. We propose a framework named FedThief, which degrades the performance of the global model by uploading modified content during the upload stage. At the same time, it enhances the private model's performance through divergence-aware ensemble techniques, where "divergence" quantifies the deviation between private and global models, that integrate global updates and local knowledge. Extensive experiments show that our method effectively degrades the global model performance while allowing the attacker to obtain an ensemble model that significantly outperforms the global model.
Authors: Lu Han, Mengyan Li, Jiping Qiang, Zhi Su
Abstract: Heterogeneous data, which encompass both numerical financial variables and textual records, present substantial challenges for credit monitoring. To address this issue, we propose Advanced Spectral Clustering (ASC), a method that integrates financial and textual similarities through an optimized weight parameter and selects eigenvectors using a novel eigenvalue-silhouette optimization approach. Evaluated on a dataset comprising 1,428 small and medium-sized enterprises (SMEs), ASC achieves a Silhouette score that is 18% higher than that of a single-type data baseline method. Furthermore, the resulting clusters offer actionable insights; for instance, 51% of low-risk firms are found to include the term 'social recruitment' in their textual records. The robustness of ASC is confirmed across multiple clustering algorithms, including k-means, k-medians, and k-medoids, with {\Delta}Intra/Inter < 0.13 and {\Delta}Silhouette Coefficient < 0.02. By bridging spectral clustering theory with heterogeneous data applications, ASC enables the identification of meaningful clusters, such as recruitment-focused SMEs exhibiting a 30% lower default risk, thereby supporting more targeted and effective credit interventions.
Authors: Lu Han, Xiuying Wang
Abstract: Traditional decision tree models, which rely exclusively on numerical variables, often encounter difficulties in handling high-dimensional data and fail to effectively incorporate textual information. To address these limitations, we propose the Integrated Multivariate Segmentation Tree (IMST), a comprehensive framework designed to enhance credit evaluation for small and medium-sized enterprises (SMEs) by integrating financial data with textual sources. The methodology comprises three core stages: (1) transforming textual data into numerical matrices through matrix factorization; (2) selecting salient financial features using Lasso regression; and (3) constructing a multivariate segmentation tree based on the Gini index or Entropy, with weakest-link pruning applied to regulate model complexity. Experimental results derived from a dataset of 1,428 Chinese SMEs demonstrate that IMST achieves an accuracy of 88.9%, surpassing baseline decision trees (87.4%) as well as conventional models such as logistic regression and support vector machines (SVM). Furthermore, the proposed model exhibits superior interpretability and computational efficiency, featuring a more streamlined architecture and enhanced risk detection capabilities.
Authors: Can Cui, Zilong Fu, Penghe Huang, Yuanyuan Li, Wu Deng, Dongyan Li
Abstract: Knowledge distillation (KD) is crucial for deploying deep learning models in resource-constrained edge environments, particularly within the consumer electronics sector, including smart home devices, wearable technology, and mobile terminals. These applications place higher demands on model compression and inference speed, necessitating the transfer of knowledge from Graph Neural Networks (GNNs) to more efficient Multi-Layer Perceptron (MLP) models. However, due to their fixed activation functions and fully connected architecture, MLPs face challenges in rapidly capturing the complex neighborhood dependencies learned by GNNs, thereby limiting their performance in edge environments. To address these limitations, this paper introduces an innovative from GNNs to Kolmogorov-Arnold Networks (KANs) knowledge distillation framework-Self Attention Dynamic Sampling Distillation (SA-DSD). This study improved Fourier KAN (FR-KAN) and replaced MLP with the improved FR-KAN+ as the student model. Through the incorporation of learnable frequency bases and phase-shift mechanisms, along with algorithmic optimization, FR-KAN significantly improves its nonlinear fitting capability while effectively reducing computational complexity. Building on this, a margin-level sampling probability matrix, based on teacher-student prediction consistency, is constructed, and an adaptive weighted loss mechanism is designed to mitigate performance degradation in the student model due to the lack of explicit neighborhood aggregation. Extensive experiments conducted on six real-world datasets demonstrate that SA-DSD achieves performance improvements of 3.05%-3.62% over three GNN teacher models and 15.61% over the FR-KAN+ model. Moreover, when compared with key benchmark models, SA-DSD achieves a 16.96x reduction in parameter count and a 55.75% decrease in inference time.
Authors: Salar Nouri, Kaidi Shao, Shervin Safavi
Abstract: Quantifying transient causal interactions from non-stationary neural signals is a fundamental challenge in neuroscience. Traditional methods are often inadequate for brief neural events, and advanced, event-specific techniques have lacked accessible implementations within the Python ecosystem. Here, we introduce trancit (Transient Causal Interaction Toolbox), an open-source Python package designed to bridge this gap. TranCIT implements a comprehensive analysis pipeline, including Granger Causality, Transfer Entropy, and the more robust Structural Causal Model-based Dynamic Causal Strength (DCS) and relative Dynamic Causal Strength (rDCS) for accurately detecting event-driven causal effects. We demonstrate TranCIT's utility by successfully capturing causality in high-synchrony regimes where traditional methods fail and by identifying the known transient information flow from hippocampal CA3 to CA1 during sharp-wave ripple events in real-world data. The package offers a user-friendly, validated solution for investigating the transient causal dynamics that govern complex systems.
Authors: Shikun Liu, Deyu Zou, Nima Shoghi, Victor Fung, Kai Liu, Pan Li
Abstract: In the era of foundation models, fine-tuning pre-trained models for specific downstream tasks has become crucial. This drives the need for robust fine-tuning methods to address challenges such as model overfitting and sparse labeling. Molecular graph foundation models (MGFMs) face unique difficulties that complicate fine-tuning. These models are limited by smaller pre-training datasets and more severe data scarcity for downstream tasks, both of which require enhanced model generalization. Moreover, MGFMs must accommodate diverse objectives, including both regression and classification tasks. To better understand and improve fine-tuning techniques under these conditions, we classify eight fine-tuning methods into three mechanisms: weight-based, representation-based, and partial fine-tuning. We benchmark these methods on downstream regression and classification tasks across supervised and self-supervised pre-trained models in diverse labeling settings. This extensive evaluation provides valuable insights and informs the design of a refined robust fine-tuning method, ROFT-MOL. This approach combines the strengths of simple post-hoc weight interpolation with more complex weight ensemble fine-tuning methods, delivering improved performance across both task types while maintaining the ease of use inherent in post-hoc weight interpolation.
Authors: Azul Garza, Rene\'e Rosillo
Abstract: We introduce TimeCopilot, the first open-source agentic framework for forecasting that combines multiple Time Series Foundation Models (TSFMs) with Large Language Models (LLMs) through a single unified API. TimeCopilot automates the forecasting pipeline: feature analysis, model selection, cross-validation, and forecast generation, while providing natural language explanations and supporting direct queries about the future. The framework is LLM-agnostic, compatible with both commercial and open-source models, and supports ensembles across diverse forecasting families. Results on the large-scale GIFT-Eval benchmark show that TimeCopilot achieves state-of-the-art probabilistic forecasting performance at low cost. Our framework provides a practical foundation for reproducible, explainable, and accessible agentic forecasting systems.
Authors: Giacomo Acciarini, Simone Mestici, Halil Kelebek, Linnea Wolniewicz, Michael Vergalla, Madhulika Guhathakurta, Umaa Rebbapragada, Bala Poduval, At{\i}l{\i}m G\"une\c{s} Baydin, Frank Soboczenski
Abstract: The ionosphere critically influences Global Navigation Satellite Systems (GNSS), satellite communications, and Low Earth Orbit (LEO) operations, yet accurate prediction of its variability remains challenging due to nonlinear couplings between solar, geomagnetic, and thermospheric drivers. Total Electron Content (TEC), a key ionospheric parameter, is derived from GNSS observations, but its reliable forecasting is limited by the sparse nature of global measurements and the limited accuracy of empirical models, especially during strong space weather conditions. In this work, we present a machine learning framework for ionospheric TEC forecasting that leverages Temporal Fusion Transformers (TFT) to predict sparse ionosphere data. Our approach accommodates heterogeneous input sources, including solar irradiance, geomagnetic indices, and GNSS-derived vertical TEC, and applies preprocessing and temporal alignment strategies. Experiments spanning 2010-2025 demonstrate that the model achieves robust predictions up to 24 hours ahead, with root mean square errors as low as 3.33 TECU. Results highlight that solar EUV irradiance provides the strongest predictive signals. Beyond forecasting accuracy, the framework offers interpretability through attention-based analysis, supporting both operational applications and scientific discovery. To encourage reproducibility and community-driven development, we release the full implementation as the open-source toolkit \texttt{ionopy}.
Authors: Mengjie Zhao, Olga Fink
Abstract: Reliable inference of system degradation from sensor data is fundamental to condition monitoring and prognostics in engineered systems. Since degradation is rarely observable and measurable, it must be inferred to enable accurate health assessment and decision-making. This is particularly challenging because operational variations dominate system behavior, while degradation introduces only subtle, long-term changes. Consequently, sensor data mainly reflect short-term operational variability, making it difficult to disentangle the underlying degradation process. Residual-based methods are widely employed, but the residuals remain entangled with operational history, often resulting in noisy and unreliable degradation estimation, particularly in systems with dynamic responses. Neural Ordinary Equations (NODEs) offer a promising framework for inferring latent dynamics, but the time-scale separation in slow-fast systems introduces numerical stiffness and complicates training, while degradation disentanglement remains difficult. To address these limitations, we propose a novel Hierarchical Controlled Differential Equation (H-CDE) framework that incorporates a slow (degradation) and a fast (operation) CDE component in a unified architecture. It introduces three key innovations: a multi-scale time integration scheme to mitigate numerical stiffness; a learnable path transformation that extracts latent degradation drivers to control degradation evolution; and a novel activation function that enforces monotonicity on inferred degradation as a regularizer for disentanglement. Through comprehensive evaluations on both dynamic response (e.g., bridges) and steady state (e.g., aero-engine) systems, we demonstrate that H-CDE effectively disentangles degradation from operational dynamics and outperforms residual-based baselines, yielding more accurate, robust, and interpretable inference.
Authors: Zhipeng Yin, Zichong Wang, Avash Palikhe, Zhen Liu, Jun Liu, Wenbin Zhang
Abstract: Generative models have achieved impressive results in text to image tasks, significantly advancing visual content creation. However, this progress comes at a cost, as such models rely heavily on large-scale training data and may unintentionally replicate copyrighted elements, creating serious legal and ethical challenges for real-world deployment. To address these concerns, researchers have proposed various strategies to mitigate copyright risks, most of which are prompt based methods that filter or rewrite user inputs to prevent explicit infringement. While effective in handling obvious cases, these approaches often fall short in more subtle situations, where seemingly benign prompts can still lead to infringing outputs. To address these limitations, this paper introduces Assessing and Mitigating Copyright Risks (AMCR), a comprehensive framework which i) builds upon prompt-based strategies by systematically restructuring risky prompts into safe and non-sensitive forms, ii) detects partial infringements through attention-based similarity analysis, and iii) adaptively mitigates risks during generation to reduce copyright violations without compromising image quality. Extensive experiments validate the effectiveness of AMCR in revealing and mitigating latent copyright risks, offering practical insights and benchmarks for the safer deployment of generative models.
Authors: Kushagra Chandak, Vincent Liu, Haanvid Lee
Abstract: We consider off-policy evaluation (OPE) in contextual bandits with finite action space. Inverse Propensity Score (IPS) weighting is a widely used method for OPE due to its unbiased, but it suffers from significant variance when the action space is large or when some parts of the context-action space are underexplored. Recently introduced Marginalized IPS (MIPS) estimators mitigate this issue by leveraging action embeddings. However, these embeddings do not minimize the mean squared error (MSE) of the estimators and do not consider context information. To address these limitations, we introduce Context-Action Embedding Learning for MIPS, or CAEL-MIPS, which learns context-action embeddings from offline data to minimize the MSE of the MIPS estimator. Building on the theoretical analysis of bias and variance of MIPS, we present an MSE-minimizing objective for CAEL-MIPS. In the empirical studies on a synthetic dataset and a real-world dataset, we demonstrate that our estimator outperforms baselines in terms of MSE.
Authors: Tin Luu, Binh Nguyen, Man Ngo
Abstract: When working with tabular data, missingness is always one of the most painful problems. Throughout many years, researchers have continuously explored better and better ways to impute missing data. Recently, with the rapid development evolution in machine learning and deep learning, there is a new trend of leveraging generative models to solve the imputation task. While the imputing version of famous models such as Variational Autoencoders or Generative Adversarial Networks were investigated, prior work has overlooked Neural Cellular Automata (NCA), a powerful computational model. In this paper, we propose a novel imputation method that is inspired by NCA. We show that, with some appropriate adaptations, an NCA-based model is able to address the missing data imputation problem. We also provide several experiments to evidence that our model outperforms state-of-the-art methods in terms of imputation error and post-imputation performance.
Authors: Tung Nguyen, Harkanwar Singh, Nilay Naharas, Lucas Bandarkar, Aditya Grover
Abstract: Regional weather forecasting is a critical problem for localized climate adaptation, disaster mitigation, and sustainable development. While machine learning has shown impressive progress in global weather forecasting, regional forecasting remains comparatively underexplored. Existing efforts often use different datasets and experimental setups, limiting fair comparison and reproducibility. We introduce IndiaWeatherBench, a comprehensive benchmark for data-driven regional weather forecasting focused on the Indian subcontinent. IndiaWeatherBench provides a curated dataset built from high-resolution regional reanalysis products, along with a suite of deterministic and probabilistic metrics to facilitate consistent training and evaluation. To establish strong baselines, we implement and evaluate a range of models across diverse architectures, including UNets, Transformers, and Graph-based networks, as well as different boundary conditioning strategies and training objectives. While focused on India, IndiaWeatherBench is easily extensible to other geographic regions. We open-source all raw and preprocessed datasets, model implementations, and evaluation pipelines to promote accessibility and future development. We hope IndiaWeatherBench will serve as a foundation for advancing regional weather forecasting research. Code is available at https://github.com/tung-nd/IndiaWeatherBench.
Authors: Binghang Lu, Changhong Mou, Guang Lin
Abstract: In this paper, we propose an evolutionary Multi-objective Optimization for Replica-Exchange-based Physics-informed Operator learning Network, which is a novel operator learning network to efficiently solve parametric partial differential equations. In forward and inverse settings, this operator learning network only admits minimum requirement of noisy observational data. While physics-informed neural networks and operator learning approaches such as Deep Operator Networks and Fourier Neural Operators offer promising alternatives to traditional numerical solvers, they struggle with balancing operator and physics losses, maintaining robustness under noisy or sparse data, and providing uncertainty quantification. The proposed framework addresses these limitations by integrating: (i) evolutionary multi-objective optimization to adaptively balance operator and physics-based losses in the Pareto front; (ii) replica exchange stochastic gradient Langevin dynamics to improve global parameter-space exploration and accelerate convergence; and (iii) built-in Bayesian uncertainty quantification from stochastic sampling. The proposed operator learning method is tested numerically on several different problems including one-dimensional Burgers equation and the time-fractional mixed diffusion-wave equation. The results indicate that our framework consistently outperforms the general operator learning methods in accuracy, noise robustness, and the ability to quantify uncertainty.
Authors: Amartya Banerjee, Somnath Kar, Anirban Pal, Debabrata Maiti
Abstract: Efficiently steering generative models toward pharmacologically relevant regions of chemical space remains a major obstacle in molecular drug discovery under low-data regimes. We present VECTOR+: Valid-property-Enhanced Contrastive Learning for Targeted Optimization and Resampling, a framework that couples property-guided representation learning with controllable molecule generation. VECTOR+ applies to both regression and classification tasks and enables interpretable, data-efficient exploration of functional chemical space. We evaluate on two datasets: a curated PD-L1 inhibitor set (296 compounds with experimental $IC_{50}$ values) and a receptor kinase inhibitor set (2,056 molecules by binding mode). Despite limited training data, VECTOR+ generates novel, synthetically tractable candidates. Against PD-L1 (PDB 5J89), 100 of 8,374 generated molecules surpass a docking threshold of $-15.0$ kcal/mol, with the best scoring $-17.6$ kcal/mol compared to the top reference inhibitor ($-15.4$ kcal/mol). The best-performing molecules retain the conserved biphenyl pharmacophore while introducing novel motifs. Molecular dynamics (250 ns) confirm binding stability (ligand RMSD < $2.5$ angstroms). VECTOR+ generalizes to kinase inhibitors, producing compounds with stronger docking scores than established drugs such as brigatinib and sorafenib. Benchmarking against JT-VAE and MolGPT across docking, novelty, uniqueness, and Tanimoto similarity highlights the superior performance of our method. These results position our work as a robust, extensible approach for property-conditioned molecular design in low-data settings, bridging contrastive learning and generative modeling for reproducible, AI-accelerated discovery.
Authors: Arun Vignesh Malarkkan, Haoyue Bai, Anjali Kaushik, Yanjie Fu
Abstract: In real-world applications, domain data often contains identifiable or sensitive attributes, is subject to strict regulations (e.g., HIPAA, GDPR), and requires explicit data feature engineering for interpretability and transparency. Existing feature engineering primarily focuses on advancing downstream task performance, often risking privacy leakage. We generalize this learning task under such new requirements as Privacy-Preserving Data Reprogramming (PPDR): given a dataset, transforming features to maximize target attribute prediction accuracy while minimizing sensitive attribute prediction accuracy. PPDR poses challenges for existing systems: 1) generating high-utility feature transformations without being overwhelmed by a large search space, and 2) disentangling and eliminating sensitive information from utility-oriented features to reduce privacy inferability. To tackle these challenges, we propose DELTA, a two-phase variational disentangled generative learning framework. Phase I uses policy-guided reinforcement learning to discover feature transformations with downstream task utility, without any regard to privacy inferability. Phase II employs a variational LSTM seq2seq encoder-decoder with a utility-privacy disentangled latent space design and adversarial-causal disentanglement regularization to suppress privacy signals during feature generation. Experiments on eight datasets show DELTA improves predictive performance by ~9.3% and reduces privacy leakage by ~35%, demonstrating robust, privacy-aware data transformation.
Authors: Osama Ahmad, Lukas Wesemann, Fabian Waschkowski, Zubair Khalid
Abstract: Accurate spatiotemporal forecasting is critical for numerous complex systems but remains challenging due to complex volatility patterns and spectral entanglement in conventional graph neural networks (GNNs). While decomposition-integrated approaches like variational mode graph convolutional network (VMGCN) improve accuracy through signal decomposition, they suffer from computational inefficiency and manual hyperparameter tuning. To address these limitations, we propose the mode adaptive graph network (MAGN) that transforms iterative variational mode decomposition (VMD) into a trainable neural module. Our key innovations include (1) an unfolded VMD (UVMD) module that replaces iterative optimization with a fixed-depth network to reduce the decomposition time (by 250x for the LargeST benchmark), and (2) mode-specific learnable bandwidth constraints ({\alpha}k ) adapt spatial heterogeneity and eliminate manual tuning while preventing spectral overlap. Evaluated on the LargeST benchmark (6,902 sensors, 241M observations), MAGN achieves an 85-95% reduction in the prediction error over VMGCN and outperforms state-of-the-art baselines.
Authors: Renfei Zhang, Mohit Pandey, Artem Cherkasov, Martin Ester
Abstract: The scalability of pool-based active learning is limited by the computational cost of evaluating large unlabeled datasets, a challenge that is particularly acute in virtual screening for drug discovery. While active learning strategies such as Bayesian Active Learning by Disagreement (BALD) prioritize informative samples, it remains computationally intensive when scaled to libraries containing billions samples. In this work, we introduce BALD-GFlowNet, a generative active learning framework that circumvents this issue. Our method leverages Generative Flow Networks (GFlowNets) to directly sample objects in proportion to the BALD reward. By replacing traditional pool-based acquisition with generative sampling, BALD-GFlowNet achieves scalability that is independent of the size of the unlabeled pool. In our virtual screening experiment, we show that BALD-GFlowNet achieves a performance comparable to that of standard BALD baseline while generating more structurally diverse molecules, offering a promising direction for efficient and scalable molecular discovery.
Authors: Jingtao Liu, Xinming Zhang
Abstract: Continual Graph Learning(CGL)focuses on acquiring new knowledge while retaining previously learned information, essential for real-world graph applications. Current methods grapple with two main issues:1) The Stability-Plasticity Dilemma: Replay-based methods often create an imbalance between the Dilemma, while incurring significant storage costs.2) The Resource-Heavy Pre-training: Leading replay-free methods critically depend on extensively pre-trained backbones, this reliance imposes a substantial resource burden.In this paper, we argue that the key to overcoming these challenges lies not in replaying data or fine-tuning the entire network, but in dynamically modulating the internal computational flow of a frozen backbone. We posit that lightweight, task-specific modules can effectively steer a GNN's reasoning process. Motivated by this insight, we propose Task-Aware Adaptive Modulation(TAAM), a replay-free, resource-efficient approach that charts a new path for navigating the stability-plasticity dilemma. TAAM's core is its Neural Synapse Modulators(NSM), which are trained and then frozen for each task to store expert knowledge. A pivotal prototype-guided strategy governs these modulators: 1) For training, it initializes a new NSM by deep-copying from a similar past modulator to boost knowledge transfer. 2) For inference, it selects the most relevant frozen NSM for each task. These NSMs insert into a frozen GNN backbone to perform fine-grained, node-attentive modulation of its internal flow-different from the static perturbations of prior methods. Extensive experiments show that TAAM comprehensively outperforms state-of-the-art methods across six GCIL benchmark datasets. The code will be released upon acceptance of the paper.
Authors: Qiying Hu, Yingying Liang, Qianli Zhou, Witold Pedrycz
Abstract: Dempster-Shafer Theory (DST) provides a powerful framework for modeling uncertainty and has been widely applied to multi-attribute classification tasks. However, traditional DST-based attribute fusion-based classifiers suffer from oversimplified membership function modeling and limited exploitation of the belief structure brought by basic probability assignment (BPA), reducing their effectiveness in complex real-world scenarios. This paper presents an enhanced attribute fusion-based classifier that addresses these limitations through two key innovations. First, we adopt a selective modeling strategy that utilizes both single Gaussian and Gaussian Mixture Models (GMMs) for membership function construction, with model selection guided by cross-validation and a tailored evaluation metric. Second, we introduce a novel method to transform the possibility distribution into a BPA by combining simple BPAs derived from normalized possibility distributions, enabling a much richer and more flexible representation of uncertain information. Furthermore, we apply the belief structure-based BPA generation method to the evidential K-Nearest Neighbors classifier, enhancing its ability to incorporate uncertainty information into decision-making. Comprehensive experiments on benchmark datasets are conducted to evaluate the performance of the proposed attribute fusion-based classifier and the enhanced evidential K-Nearest Neighbors classifier in comparison with both evidential classifiers and conventional machine learning classifiers. The results demonstrate that our proposed classifier outperforms the best existing evidential classifier, achieving an average accuracy improvement of 4.84%, while maintaining low variance, thus confirming its superior effectiveness and robustness.
Authors: Arman Gupta, Govind Waghmare, Gaurav Oberoi, Nitish Srivastava
Abstract: In heterophilic graphs, where neighboring nodes often belong to different classes, conventional Graph Neural Networks (GNNs) struggle due to their reliance on local homophilous neighborhoods. Prior studies suggest that modeling edge directionality in such graphs can increase effective homophily and improve classification performance. Simultaneously, recent work on polynomially expressive GNNs shows promise in capturing higher-order interactions among features. In this work, we study the combined effect of edge directionality and expressive message passing on node classification in heterophilic graphs. Specifically, we propose two architectures: (1) a polynomially expressive GAT baseline (Poly), and (2) a direction-aware variant (Dir-Poly) that separately aggregates incoming and outgoing edges. Both models are designed to learn permutation-equivariant high-degree polynomials over input features, while remaining scalable with no added time complexity. Experiments on five benchmark heterophilic datasets show that our Poly model consistently outperforms existing baselines, and that Dir-Poly offers additional gains on graphs with inherent directionality (e.g., Roman Empire), achieving state-of-the-art results. Interestingly, on undirected graphs, introducing artificial directionality does not always help, suggesting that the benefit of directional message passing is context-dependent. Our findings highlight the complementary roles of edge direction and expressive feature modeling in heterophilic graph learning.
Authors: Jakob De Moor, Hans Weytjens, Johannes De Smedt
Abstract: Prescriptive Process Monitoring (PresPM) is the subfield of Process Mining that focuses on optimizing processes through real-time interventions based on event log data. Evaluating PresPM methods is challenging due to the lack of ground-truth outcomes for all intervention actions in datasets. A generative deep learning approach from the field of Causal Inference (CI), RealCause, has been commonly used to estimate the outcomes for proposed intervention actions to evaluate a new policy. However, RealCause overlooks the temporal dependencies in process data, and relies on a single CI model architecture, TARNet, limiting its effectiveness. To address both shortcomings, we introduce ProCause, a generative approach that supports both sequential (e.g., LSTMs) and non-sequential models while integrating multiple CI architectures (S-Learner, T-Learner, TARNet, and an ensemble). Our research using a simulator with known ground truths reveals that TARNet is not always the best choice; instead, an ensemble of models offers more consistent reliability, and leveraging LSTMs shows potential for improved evaluations when temporal dependencies are present. We further validate ProCause's practical effectiveness through a real-world data analysis, ensuring a more reliable evaluation of PresPM methods.
Authors: Noorain Mukhtiar, Adnan Mahmood, Quan Z. Sheng
Abstract: At the intersection of the cutting-edge technologies and privacy concerns, Federated Learning (FL) with its distributed architecture, stands at the forefront in a bid to facilitate collaborative model training across multiple clients while preserving data privacy. However, the applicability of FL systems is hindered by fairness concerns arising from numerous sources of heterogeneity that can result in biases and undermine a system's effectiveness, with skewed predictions, reduced accuracy, and inefficient model convergence. This survey thus explores the diverse sources of bias, including but not limited to, data, client, and model biases, and thoroughly discusses the strengths and limitations inherited within the array of the state-of-the-art techniques utilized in the literature to mitigate such disparities in the FL training process. We delineate a comprehensive overview of the several notions, theoretical underpinnings, and technical aspects associated with fairness and their adoption in FL-based multidisciplinary environments. Furthermore, we examine salient evaluation metrics leveraged to measure fairness quantitatively. Finally, we envisage exciting open research directions that have the potential to drive future advancements in achieving fairer FL frameworks, in turn, offering a strong foundation for future research in this pivotal area.
Authors: Feriel Amel Sellal, Ahmed Ayoub Bellachia, Meryem Malak Dif, Enguerrand De Rautlin De La Roy, Mouhamed Amine Bouchiha, Yacine Ghamri-Doudane
Abstract: Artificial intelligence (AI) is increasingly used in the automotive industry for applications such as driving style classification, which aims to improve road safety, efficiency, and personalize user experiences. While deep learning (DL) models, such as Long Short-Term Memory (LSTM) networks, excel at this task, their black-box nature limits interpretability and trust. This paper proposes a machine learning (ML)-based method that balances high accuracy with interpretability. We introduce a high-quality dataset, CARLA-Drive, and leverage ML techniques like Random Forest (RF), Gradient Boosting (XGBoost), and Support Vector Machine (SVM), which are efficient, lightweight, and interpretable. In addition, we apply the SHAP (Shapley Additive Explanations) explainability technique to provide personalized recommendations for safer driving. Achieving an accuracy of 0.92 on a three-class classification task with both RF and XGBoost classifiers, our approach matches DL models in performance while offering transparency and practicality for real-world deployment in intelligent transportation systems.
Authors: Emmanuel Jehanno, Romain Menegaux, Julien Mairal, Sergei Grudinin
Abstract: Crystalline structure prediction remains an open challenge in materials design. Despite recent advances in computational materials science, accurately predicting the three-dimensional crystal structures of organic materials--an essential first step for designing materials with targeted properties--remains elusive. In this work, we address the problem of molecular assembly, where a set $\mathcal{S}$ of identical rigid molecules is packed to form a crystalline structure. Existing state-of-the-art models typically rely on computationally expensive, iterative flow-matching approaches. We propose a novel loss function that correctly captures key geometric molecular properties while maintaining permutation invariance over $\mathcal{S}$. We achieve this via a differentiable linear assignment scheme based on the Sinkhorn algorithm. Remarkably, we show that even a simple regression using our method {\em SinkFast} significantly outperforms more complex flow-matching approaches on the COD-Cluster17 benchmark, a curated subset of the Crystallography Open Database (COD).
Authors: Woon Yee Ng, Li Rong Wang, Siyuan Liu, Xiuyi Fan
Abstract: Explaining machine learning (ML) predictions has become crucial as ML models are increasingly deployed in high-stakes domains such as healthcare. While SHapley Additive exPlanations (SHAP) is widely used for model interpretability, it fails to differentiate between causality and correlation, often misattributing feature importance when features are highly correlated. We propose Causal SHAP, a novel framework that integrates causal relationships into feature attribution while preserving many desirable properties of SHAP. By combining the Peter-Clark (PC) algorithm for causal discovery and the Intervention Calculus when the DAG is Absent (IDA) algorithm for causal strength quantification, our approach addresses the weakness of SHAP. Specifically, Causal SHAP reduces attribution scores for features that are merely correlated with the target, as validated through experiments on both synthetic and real-world datasets. This study contributes to the field of Explainable AI (XAI) by providing a practical framework for causal-aware model explanations. Our approach is particularly valuable in domains such as healthcare, where understanding true causal relationships is critical for informed decision-making.
Authors: Xinzhe Zheng, Zhen-Qun Yang, Jiannong Cao, Jiabei Cheng
Abstract: Talent identification plays a critical role in promoting student development. However, traditional approaches often rely on manual processes or focus narrowly on academic achievement, and typically delaying intervention until the higher education stage. This oversight overlooks diverse non-academic talents and misses opportunities for early intervention. To address this gap, this study introduces TalentPredictor, a novel semi-supervised multi-modal neural network that combines Transformer, LSTM, and ANN architectures. This model is designed to predict seven different talent types--academic, sport, art, leadership, service, technology, and others--in secondary school students within an offline educational setting. Drawing on existing offline educational data from 1,041 local secondary students, TalentPredictor overcomes the limitations of traditional talent identification methods. By clustering various award records into talent categories and extracting features from students' diverse learning behaviors, it achieves high prediction accuracy (0.908 classification accuracy, 0.908 ROCAUC). This demonstrates the potential of machine learning to identify diverse talents early in student development.
Authors: Wei Zhang, Brian Barr, John Paisley
Abstract: Counterfactual explanations methods provide an important tool in the field of {interpretable machine learning}. Recent advances in this direction have focused on diffusion models to explain a deep classifier. However, these techniques have predominantly focused on problems in computer vision. In this paper, we focus on tabular data typical in finance and the social sciences and propose a novel guided reverse process for categorical features based on an approximation to the Gumbel-softmax distribution. Furthermore, we study the effect of the temperature $\tau$ and derive a theoretical bound between the Gumbel-softmax distribution and our proposed approximated distribution. We perform experiments on several large-scale credit lending and other tabular datasets, assessing their performance in terms of the quantitative measures of interpretability, diversity, instability, and validity. These results indicate that our approach outperforms popular baseline methods, producing robust and realistic counterfactual explanations.
Authors: Wei Zhang, Brian Barr, John Paisley
Abstract: Explainable machine learning has attracted much interest in the community where the stakes are high. Counterfactual explanations methods have become an important tool in explaining a black-box model. The recent advances have leveraged the power of generative models such as an autoencoder. In this paper, we propose a novel method using a Gaussian process to construct the auto-encoder architecture for generating counterfactual samples. The resulting model requires fewer learnable parameters and thus is less prone to overfitting. We also introduce a novel density estimator that allows for searching for in-distribution samples. Furthermore, we introduce an algorithm for selecting the optimal regularization rate on density estimator while searching for counterfactuals. We experiment with our method in several large-scale tabular datasets and compare with other auto-encoder-based methods. The results show that our method is capable of generating diversified and in-distribution counterfactual samples.
Authors: Aman Sharma, Saeed Najafi, Parsa Farinneya, Benyamin Jamialahmadi, Marzieh S. Tahaei, Yuhe Fan, Mehdi Rezagholizadeh, Boxing Chen, Aref Jafari
Abstract: Transformers achieve state-of-the-art results across many tasks, but their uniform application of quadratic self-attention to every token at every layer makes them computationally expensive. We introduce DTRNet (Dynamic Token Routing Network), an improved Transformer architecture that allows tokens to dynamically skip the quadratic cost of cross-token mixing while still receiving lightweight linear updates. By preserving the MLP module and reducing the attention cost for most tokens to linear, DTRNet ensures that every token is explicitly updated while significantly lowering overall computation. This design offers an efficient and effective alternative to standard dense attention. Once trained, DTRNet blocks routes only ~10% of tokens through attention at each layer while maintaining performance comparable to a full Transformer. It consistently outperforms routing-based layer skipping methods such as MoD and D-LLM in both accuracy and memory at matched FLOPs, while routing fewer tokens to full attention. Its efficiency gains, scales with sequence length, offering significant reduction in FLOPs for long-context inputs. By decoupling token updates from attention mixing, DTRNet substantially reduces the quadratic share of computation, providing a simple, efficient, and scalable alternative to Transformers.
Authors: Lukas Pertl, Han Xuanyuan, Pietro Li\`o
Abstract: Interpreting graph neural networks (GNNs) is difficult because message passing mixes signals and internal channels rarely align with human concepts. We study superposition, the sharing of directions by multiple features, directly in the latent space of GNNs. Using controlled experiments with unambiguous graph concepts, we extract features as (i) class-conditional centroids at the graph level and (ii) linear-probe directions at the node level, and then analyze their geometry with simple basis-invariant diagnostics. Across GCN/GIN/GAT we find: increasing width produces a phase pattern in overlap; topology imprints overlap onto node-level features that pooling partially remixes into task-aligned graph axes; sharper pooling increases axis alignment and reduces channel sharing; and shallow models can settle into metastable low-rank embeddings. These results connect representational geometry with concrete design choices (width, pooling, and final-layer activations) and suggest practical approaches for more interpretable GNNs.
Authors: Aref Jafari, Yuhe Fan, Benyamin Jamialahmadi, Parsa Farinneya, Boxing Chen, Marzieh S. Tahaei
Abstract: Transformers have demonstrated strong performance across a wide range of sequence modeling tasks, but their quadratic attention complexity limits scalability to long sequences. Linear models such as Mamba and sliding-window attention (SWA) address this by mixing tokens through recurrent or localized operations with fixed-size memory, achieving efficient inference. However, these methods risk degrading performance on long sequences due to their inability to retain detailed information from distant tokens. We propose SCOUT (Segment Compression for Optimized Utility in Transformers), a hybrid architecture that compresses tokens locally within fixed-size segments and applies attention only over these compressed representations. Each token embedding is first enriched via a linear local mixer, Mamba or SWA, that integrates recent context. Then, instead of attending to all previous tokens, each token sparsely attends to a small number of compressed checkpoint tokens that summarize the input history. This design retains much of the expressivity of full attention while substantially reducing the computational and memory cost. By attending to compressed history rather than all previous tokens, SCOUT incurs slightly higher memory than purely linear models, but its growth rate remains sub-quadratic and far more scalable than that of full Transformers. We analyze SCOUT's computational and memory efficiency and evaluate it empirically on long-context language modeling and reasoning tasks. SCOUT with both Mamba and SWA mixers outperforms strong long-sequence baselines under the same computational budget, matches full-attention Transformers on language modeling and common-sense reasoning tasks at 400M and 1.3B scales. Moreover, our SCOUT achieves higher end-to-end throughput than SOTA models, while delivering comparable results on long sequence benchmarks.
Authors: Arjun Basandrai, Shourya Jain, K. Ilanthenral
Abstract: Traditional resampling methods for handling class imbalance typically uses fixed distributions, undersampling the majority or oversampling the minority. These static strategies ignore changes in class-wise learning difficulty, which can limit the overall performance of the model. This paper proposes an Adaptive Resampling-based Training (ART) method that periodically updates the distribution of the training data based on the class-wise performance of the model. Specifically, ART uses class-wise macro F1 scores, computed at fixed intervals, to determine the degree of resampling to be performed. Unlike instance-level difficulty modeling, which is noisy and outlier-sensitive, ART adapts at the class level. This allows the model to incrementally shift its attention towards underperforming classes in a way that better aligns with the optimization objective. Results on diverse benchmarks, including Pima Indians Diabetes and Yeast dataset demonstrate that ART consistently outperforms both resampling-based and algorithm-level methods, including Synthetic Minority Oversampling Technique (SMOTE), NearMiss Undersampling, and Cost-sensitive Learning on binary as well as multi-class classification tasks with varying degrees of imbalance. In most settings, these improvements are statistically significant. On tabular datasets, gains are significant under paired t-tests and Wilcoxon tests (p < 0.05), while results on text and image tasks remain favorable. Compared to training on the original imbalanced data, ART improves macro F1 by an average of 2.64 percentage points across all tested tabular datasets. Unlike existing methods, whose performance varies by task, ART consistently delivers the strongest macro F1, making it a reliable choice for imbalanced classification.
Authors: Olusola Odeyomi, Sofiat Olaosebikan, Ajibuwa Opeyemi, Oluwadoyinsola Ige
Abstract: Multi-task learning is an effective way to address the challenge of model personalization caused by high data heterogeneity in federated learning. However, extending multi-task learning to the online decentralized federated learning setting is yet to be explored. The online decentralized federated learning setting considers many real-world applications of federated learning, such as autonomous systems, where clients communicate peer-to-peer and the data distribution of each client is time-varying. A more serious problem in real-world applications of federated learning is the presence of Byzantine clients. Byzantine-resilient approaches used in federated learning work only when the number of Byzantine clients is less than one-half the total number of clients. Yet, it is difficult to put a limit on the number of Byzantine clients within a system in reality. However, recent work in robotics shows that it is possible to exploit cyber-physical properties of a system to predict clients' behavior and assign a trust probability to received signals. This can help to achieve resiliency in the presence of a dominating number of Byzantine clients. Therefore, in this paper, we develop an online decentralized federated multi-task learning algorithm to provide model personalization and resiliency when the number of Byzantine clients dominates the number of honest clients. Our proposed algorithm leverages cyber-physical properties, such as the received signal strength in wireless systems or side information, to assign a trust probability to local models received from neighbors in each iteration. Our simulation results show that the proposed algorithm performs close to a Byzantine-free setting.
Authors: Runjia Zeng, Guangyan Sun, Qifan Wang, Tong Geng, Sohail Dianat, Xiaotian Han, Raghuveer Rao, Xueling Zhang, Cheng Han, Lifu Huang, Dongfang Liu
Abstract: Considering deep neural networks as manifold mappers, the pretrain-then-fine-tune paradigm can be interpreted as a two-stage process: pretrain establishes a broad knowledge base, and fine-tune adjusts the model parameters to activate specific neural pathways to align with the target manifold. Although prior fine-tuning approaches demonstrate success, their rigid parameter space limits their ability to dynamically activate appropriate neural pathways, rendering them ill-equipped to adapt flexibly to the diverse and evolving data distributions. In light of this view, we propose a novel approach, Mixture of Expert Prompt Tuning (MEPT), as an effective and efficient manifold-mapping framework. MEPT leverages the Mixture of Experts architecture by integrating multiple prompt experts to adaptively learn diverse and non-stationary data distributions. Empirical evaluations demonstrate that MEPT outperforms several state-of-the-art parameter efficient baselines on SuperGLUE, achieving notable improvements in mean accuracy (e.g., 1.94%) while significantly reducing activated prompts by 79.25%. The effectiveness of MEPT is further supported by theoretical insights from manifold learning and validated through neural activation pathway visualization results. Our code is avaliable at https://github.com/runtsang/MEPT.
Authors: Jaeyeon Kim, Lee Cheuk-Kit, Carles Domingo-Enrich, Yilun Du, Sham Kakade, Timothy Ngotiaoco, Sitan Chen, Michael Albergo
Abstract: Masked diffusion models (MDMs) have recently emerged as a promising alternative to autoregressive models over discrete domains. MDMs generate sequences in an any-order, parallel fashion, enabling fast inference and strong performance on non-causal tasks. However, a crucial limitation is that they do not support token insertions and are thus limited to fixed-length generations. To this end, we introduce Flexible Masked Diffusion Models (FlexMDMs), a discrete diffusion paradigm that simultaneously can model sequences of flexible length while provably retaining MDMs' flexibility of any-order inference. Grounded in an extension of the stochastic interpolant framework, FlexMDMs generate sequences by inserting mask tokens and unmasking them. Empirically, we show that FlexMDMs match MDMs in perplexity while modeling length statistics with much higher fidelity. On a synthetic maze planning task, they achieve $\approx 60 \%$ higher success rate than MDM baselines. Finally, we show pretrained MDMs can easily be retrofitted into FlexMDMs: on 16 H100s, it takes only three days to fine-tune LLaDA-8B into a FlexMDM, achieving superior performance on math (GSM8K, $58\% \to 67\%$) and code infilling performance ($52\% \to 65\%$).
Authors: Xiaozhou Ye, Kevin I-Kai Wang
Abstract: Human Activity Recognition (HAR) using wearable sensors is crucial for healthcare, fitness tracking, and smart environments, yet cross-user variability -- stemming from diverse motion patterns, sensor placements, and physiological traits -- hampers generalization in real-world settings. Conventional supervised learning methods often overfit to user-specific patterns, leading to poor performance on unseen users. Existing domain generalization approaches, while promising, frequently overlook temporal dependencies or depend on impractical domain-specific labels. We propose Temporal-Preserving Reinforcement Learning Domain Generalization (TPRL-DG), a novel framework that redefines feature extraction as a sequential decision-making process driven by reinforcement learning. TPRL-DG leverages a Transformer-based autoregressive generator to produce temporal tokens that capture user-invariant activity dynamics, optimized via a multi-objective reward function balancing class discrimination and cross-user invariance. Key innovations include: (1) an RL-driven approach for domain generalization, (2) autoregressive tokenization to preserve temporal coherence, and (3) a label-free reward design eliminating the need for target user annotations. Evaluations on the DSADS and PAMAP2 datasets show that TPRL-DG surpasses state-of-the-art methods in cross-user generalization, achieving superior accuracy without per-user calibration. By learning robust, user-invariant temporal patterns, TPRL-DG enables scalable HAR systems, facilitating advancements in personalized healthcare, adaptive fitness tracking, and context-aware environments.
Authors: Hirofumi Tsuruta, Masaya Kumagai
Abstract: Synthesis procedures play a critical role in materials research, as they directly affect material properties. With data-driven approaches increasingly accelerating materials discovery, there is growing interest in extracting synthesis procedures from scientific literature as structured data. However, existing studies often rely on rigid, domain-specific schemas with predefined fields for structuring synthesis procedures or assume that synthesis procedures are linear sequences of operations, which limits their ability to capture the structural complexity of real-world procedures. To address these limitations, we adopt PROV-DM, an international standard for provenance information, which supports flexible, graph-based modeling of procedures. We present MatPROV, a dataset of PROV-DM-compliant synthesis procedures extracted from scientific literature using large language models. MatPROV captures structural complexities and causal relationships among materials, operations, and conditions through visually intuitive directed graphs. This representation enables machine-interpretable synthesis knowledge, opening opportunities for future research such as automated synthesis planning and optimization.
Authors: Yuhong Zhang, Xusheng Zhu, Yuchen Xu, ChiaEn Lu, Hsinyu Shih, Gert Cauwenberghs, Tzyy-Ping Jung
Abstract: Electroencephalography (EEG) is a non-invasive method for measuring brain activity with high temporal resolution; however, EEG signals often exhibit low signal-to-noise ratios because of contamination from physiological and environmental artifacts. One of the major challenges hindering the real-world deployment of brain-computer interfaces (BCIs) involves the frequent occurrence of motion-related EEG artifacts. Most prior studies on EEG motion artifact removal rely on single-modality approaches, such as Artifact Subspace Reconstruction (ASR) and Independent Component Analysis (ICA), without incorporating simultaneously recorded modalities like inertial measurement units (IMUs), which directly capture the extent and dynamics of motion. This work proposes a fine-tuned large brain model (LaBraM)-based correlation attention mapping method that leverages spatial channel relationships in IMU data to identify motion-related artifacts in EEG signals. The fine-tuned model contains approximately 9.2 million parameters and uses 5.9 hours of EEG and IMU recordings for training, just 0.2346\% of the 2500 hours used to train the base model. We compare our results against the established ASR-ICA benchmark across varying time scales and motion activities, showing that incorporating IMU reference signals significantly improves robustness under diverse motion scenarios.
Authors: Madhav Kanda, Shubham Ugare, Sasa Misailovic
Abstract: Probabilistic programming offers a powerful framework for modeling uncertainty, yet statistical model discovery in this domain entails navigating an immense search space under strict domain-specific constraints. When small language models are tasked with generating probabilistic programs, they frequently produce outputs that suffer from both syntactic and semantic errors, such as flawed inference constructs. Motivated by probabilistic programmers' domain expertise and debugging strategies, we introduce RefineStat, a language model--driven framework that enforces semantic constraints ensuring synthesized programs contain valid distributions and well-formed parameters, and then applies diagnostic-aware refinement by resampling prior or likelihood components whenever reliability checks fail. We evaluate RefineStat on multiple probabilistic-programming code-generation tasks using smaller language models (SLMs) and find that it produces programs that are both syntactically sound and statistically reliable, often matching or surpassing those from closed-source large language models (e.g., OpenAI o3).
Authors: James Tian
Abstract: We introduce random-kernel networks, a multilayer extension of random feature models where depth is created by deterministic kernel composition and randomness enters only in the outermost layer. We prove that deeper constructions can approximate certain functions with fewer Monte Carlo samples than any shallow counterpart, establishing a depth separation theorem in sample complexity.
Authors: Zhijie Zhong, Zhiwen Yu, Yiu-ming Cheung, Kaixiang Yang
Abstract: Time Series Anomaly Detection metrics serve as crucial tools for model evaluation. However, existing metrics suffer from several limitations: insufficient discriminative power, strong hyperparameter dependency, sensitivity to perturbations, and high computational overhead. This paper introduces Confidence-Consistency Evaluation (CCE), a novel evaluation metric that simultaneously measures prediction confidence and uncertainty consistency. By employing Bayesian estimation to quantify the uncertainty of anomaly scores, we construct both global and event-level confidence and consistency scores for model predictions, resulting in a concise CCE metric. Theoretically and experimentally, we demonstrate that CCE possesses strict boundedness, Lipschitz robustness against score perturbations, and linear time complexity $\mathcal{O}(n)$. Furthermore, we establish RankEval, a benchmark for comparing the ranking capabilities of various metrics. RankEval represents the first standardized and reproducible evaluation pipeline that enables objective comparison of evaluation metrics. Both CCE and RankEval implementations are fully open-source.
Authors: Senura Hansaja Wanasekara, Van-Dinh Nguyen, Kok-Seng, M. -Duong Nguyen, Symeon Chatzinotas, Octavia A. Dobre
Abstract: Goal-oriented semantic communication (SC) aims to revolutionize communication systems by transmitting only task-essential information. However, current approaches face challenges such as joint training at transceivers, leading to redundant data exchange and reliance on labeled datasets, which limits their task-agnostic utility. To address these challenges, we propose a novel framework called Goal-oriented Invariant Representation-based SC (SC-GIR) for image transmission. Our framework leverages self-supervised learning to extract an invariant representation that encapsulates crucial information from the source data, independent of the specific downstream task. This compressed representation facilitates efficient communication while retaining key features for successful downstream task execution. Focusing on machine-to-machine tasks, we utilize covariance-based contrastive learning techniques to obtain a latent representation that is both meaningful and semantically dense. To evaluate the effectiveness of the proposed scheme on downstream tasks, we apply it to various image datasets for lossy compression. The compressed representations are then used in a goal-oriented AI task. Extensive experiments on several datasets demonstrate that SC-GIR outperforms baseline schemes by nearly 10%,, and achieves over 85% classification accuracy for compressed data under different SNR conditions. These results underscore the effectiveness of the proposed framework in learning compact and informative latent representations.
Authors: Guangli Li, Canbiao Wu, Zhehao Zhou, Na Tian, Zhen Liang
Abstract: Emotion recognition based on electroencephalography (EEG) signals is increasingly becoming a key research hotspot in affective Brain-Computer Interfaces (aBCIs). However, the current transfer learning model greatly depends on the source domain and target domain data, which hinder the practical application of emotion recognition. Therefore, we propose a Multi-domain Aggregation Transfer Learning framework for EEG emotion recognition with Domain-Class prototype under unseen targets (MATL-DC). We design the feature decoupling module to decouple class-invariant domain features from domain-invariant class features from shallow features. In the model training stage, the multi-domain aggregation mechanism aggregates the domain feature space to form a superdomain, which enhances the characteristics of emotional EEG signals. In each superdomain, we further extract the class prototype representation by class features. In addition, we adopt the pairwise learning strategy to transform the sample classification problem into the similarity problem between sample pairs, which effectively alleviates the influence of label noise. It is worth noting that the target domain is completely unseen during the training process. In the inference stage, we use the trained domain-class prototypes for inference, and then realize emotion recognition. We rigorously validate it on the publicly available databases (SEED, SEED-IV and SEED-V). The results show that the accuracy of MATL-DC model is 84.70\%, 68.11\% and 61.08\%, respectively. MATL-DC achieves comparable or even better performance than methods that rely on both source and target domains. The source code is available at https://github.com/WuCB-BCI/MATL-DC.
Authors: Guangzheng Zhong, Yang Liu, Jiming Liu
Abstract: Performative prediction is an emerging paradigm in machine learning that addresses scenarios where the model's prediction may induce a shift in the distribution of the data it aims to predict. Current works in this field often rely on uncontrollable assumptions, such as bounded gradients of performative loss, and primarily focus on linear cases in their examples and evaluations to maintain consistency between theoretical guarantees and empirical validations. However, such linearity rarely holds in real-world applications, where the data usually exhibit complex nonlinear characteristics. In this paper, we relax these out-of-control assumptions and present a novel design that generalizes performative prediction to nonlinear cases while preserving essential theoretical properties. Specifically, we formulate the loss function of performative prediction using a maximum margin approach and extend it to nonlinear spaces through kernel methods. To quantify the data distribution shift, we employ the discrepancy between prediction errors on these two distributions as an indicator, which characterizes the impact of the performative effect on specific learning tasks. By doing so, we can derive, for both linear and nonlinear cases, the conditions for performative stability, a critical and desirable property in performative contexts. Building on these theoretical insights, we develop an algorithm that guarantees the performative stability of the predictive model. We validate the effectiveness of our method through experiments on synthetic and real-world datasets with both linear and nonlinear data distributions, demonstrating superior performance compared to state-of-the-art baselines.
Authors: Cheng Cheng, Zeping Chen, Rui Xie, Peiyao Zheng, Xavier Wang
Abstract: Accurately predicting early recurrence in brain tumor patients following surgical resection remains a clinical challenge. This study proposes a multi-modal machine learning framework that integrates structural MRI features with clinical biomarkers to improve postoperative recurrence prediction. We employ four machine learning algorithms -- Gradient Boosting Machine (GBM), Random Survival Forest (RSF), CoxBoost, and XGBoost -- and validate model performance using concordance index (C-index), time-dependent AUC, calibration curves, and decision curve analysis. Our model demonstrates promising performance, offering a potential tool for risk stratification and personalized follow-up planning.
Authors: Cheng Cheng, Zeping Chen, Xavier Wang
Abstract: This paper proposes a novel multimodal deep learning framework integrating bidirectional LSTM, multi-head attention mechanism, and variational mode decomposition (BiLSTM-AM-VMD) for early liver cancer diagnosis. Using heterogeneous data that include clinical characteristics, biochemical markers, and imaging-derived variables, our approach improves both prediction accuracy and interpretability. Experimental results on real-world datasets demonstrate superior performance over traditional machine learning and baseline deep learning models.
Authors: Yassine Abbahaddou, Fragkiskos D. Malliaros, Johannes F. Lutzeyer, Michalis Vazirgiannis
Abstract: Graph Neural Networks (GNNs) have proven to be highly effective in various graph learning tasks. A key characteristic of GNNs is their use of a fixed number of message-passing steps for all nodes in the graph, regardless of each node's diverse computational needs and characteristics. Through empirical real-world data analysis, we demonstrate that the optimal number of message-passing layers varies for nodes with different characteristics. This finding is further supported by experiments conducted on synthetic datasets. To address this, we propose Adaptive Depth Message Passing GNN (ADMP-GNN), a novel framework that dynamically adjusts the number of message passing layers for each node, resulting in improved performance. This approach applies to any model that follows the message passing scheme. We evaluate ADMP-GNN on the node classification task and observe performance improvements over baseline GNN models.
Authors: Zihao Wang, Yunjie Li, Lingmin Zan, Zheng Gong, Mengtao Zhu
Abstract: The Extended Long Short-Term Memory (xLSTM) network has attracted widespread research interest due to its enhanced capability to model complex temporal dependencies in diverse time series applications. Despite its success, there is still potential to further improve its representational capacity and forecasting performance, particularly on challenging real-world datasets with unknown, intricate, and hierarchical dynamics. In this work, we propose a stochastic xLSTM, termed StoxLSTM, that improves the original architecture into a state space modeling framework by incorporating stochastic latent variables within xLSTM. StoxLSTM models the latent dynamic evolution through specially designed recurrent blocks, enabling it to effectively capture the underlying temporal patterns and dependencies. Extensive experiments on publicly available benchmark datasets from multiple research communities demonstrate that StoxLSTM consistently outperforms state-of-the-art baselines with better robustness and stronger generalization ability.
Authors: Eddi Weinwurm, Alexander Kovalenko
Abstract: Dimensionality reduction can distort vector space properties such as orthogonality and linear independence, which are critical for tasks including cross-modal retrieval, clustering, and classification. We propose a Relationship Preserving Loss (RPL), a loss function that preserves these properties by minimizing discrepancies between relationship matrices (e.g., Gram or cosine) of high-dimensional data and their low-dimensional embeddings. RPL trains neural networks for non-linear projections and is supported by error bounds derived from matrix perturbation theory. Initial experiments suggest that RPL reduces embedding dimensions while largely retaining performance on downstream tasks, likely due to its preservation of key vector space properties. While we describe here the use of RPL in dimensionality reduction, this loss can also be applied more broadly, for example to cross-domain alignment and transfer learning, knowledge distillation, fairness and invariance, dehubbing, graph and manifold learning, and federated learning, where distributed embeddings must remain geometrically consistent.
Authors: Yixiong Ren, Wenkang Du, Jianhui Zhou, Haiping Huang
Abstract: How to balance training accuracy and adversarial robustness has become a challenge since the birth of deep learning. Here, we introduce a geometry-aware deep learning framework that leverages layer-wise local training to sculpt the internal representations of deep neural networks. This framework promotes intra-class compactness and inter-class separation in feature space, leading to manifold smoothness and adversarial robustness against white or black box attacks. The performance can be explained by an energy model with Hebbian coupling between elements of the hidden representation. Our results thus shed light on the physics of learning in the direction of alignment between biological and artificial intelligence systems. Using the current framework, the deep network can assimilate new information into existing knowledge structures while reducing representation interference.
Authors: Niklas Kemper, Tom Wollschl\"ager, Stephan G\"unnemann
Abstract: Expressivity theory, characterizing which graphs a GNN can distinguish, has become the predominant framework for analyzing GNNs, with new models striving for higher expressivity. However, we argue that this focus is misguided: First, higher expressivity is not necessary for most real-world tasks as these tasks rarely require expressivity beyond the basic WL test. Second, expressivity theory's binary characterization and idealized assumptions fail to reflect GNNs' practical capabilities. To overcome these limitations, we propose Message Passing Complexity (MPC): a continuous measure that quantifies the difficulty for a GNN architecture to solve a given task through message passing. MPC captures practical limitations like over-squashing while preserving the theoretical impossibility results from expressivity theory, effectively narrowing the gap between theory and practice. Through extensive validation on fundamental GNN tasks, we show that MPC's theoretical predictions correlate with empirical performance, successfully explaining architectural successes and failures. Thereby, MPC advances beyond expressivity theory to provide a more powerful and nuanced framework for understanding and improving GNN architectures.
Authors: Andrea Fox, Francesco De Pellegrini, Eitan Altman
Abstract: In edge computing systems, autonomous agents must make fast local decisions while competing for shared resources. Existing MARL methods often resume to centralized critics or frequent communication, which fail under limited observability and communication constraints. We propose a decentralized framework in which each agent solves a constrained Markov decision process (CMDP), coordinating implicitly through a shared constraint vector. For the specific case of offloading, e.g., constraints prevent overloading shared server resources. Coordination constraints are updated infrequently and act as a lightweight coordination mechanism. They enable agents to align with global resource usage objectives but require little direct communication. Using safe reinforcement learning, agents learn policies that meet both local and global goals. We establish theoretical guarantees under mild assumptions and validate our approach experimentally, showing improved performance over centralized and independent baselines, especially in large-scale settings.
Authors: Stefano Fioravanti, Matteo Zavatteri, Roberto Confalonieri, Kamyar Zeinalipour, Paolo Frazzetto, Alessandro Sperduti, Nicol\`o Navarin
Abstract: LLMs face significant challenges in systematic generalization, particularly when dealing with reasoning tasks requiring compositional rules and handling out-of-distribution examples. To address these challenges, we introduce an in-context learning methodology that improves the generalization capabilities of general purpose LLMs. Our approach employs an iterative example selection strategy, which incrementally constructs a tailored set of few-shot examples optimized to enhance model's performance on a given task. As a proof of concept, we apply this methodology to the resolution of algebraic expressions involving non-standard simplification rules, according to which the priority of addition and multiplication is changed. Our findings indicate that LLMs exhibit limited proficiency in these mathematical tasks. We further demonstrate that LLMs reasoning benefits from our iterative shot selection prompting strategy integrated with explicit reasoning instructions. Crucially, our experiments reveal that some LLMs achieve better generalization performances when prompted with simpler few-shot examples rather than complex ones following the test data distribution.
Authors: Julen Cestero, Marco Quartulli, Marcello Restelli
Abstract: Sample efficiency in the face of computationally expensive simulations is a common concern in surrogate modeling. Current strategies to minimize the number of samples needed are not as effective in simulated environments with wide state spaces. As a response to this challenge, we propose a novel method to efficiently sample simulated deterministic environments by using policies trained by Reinforcement Learning. We provide an extensive analysis of these surrogate-building strategies with respect to Latin-Hypercube sampling or Active Learning and Kriging, cross-validating performances with all sampled datasets. The analysis shows that a mixed dataset that includes samples acquired by random agents, expert agents, and agents trained to explore the regions of maximum entropy of the state transition distribution provides the best scores through all datasets, which is crucial for a meaningful state space representation. We conclude that the proposed method improves the state-of-the-art and clears the path to enable the application of surrogate-aided Reinforcement Learning policy optimization strategies on complex simulators.
Authors: Xiao Xue, M. F. P. ten Eikelder, Tianyue Yang, Yiqing Li, Kan He, Shuo Wang, Peter V. Coveney
Abstract: Phase separation in binary mixtures, governed by the Cahn-Hilliard equation, plays a central role in interfacial dynamics across materials science and soft matter. While numerical solvers are accurate, they are often computationally expensive and lack flexibility across varying initial conditions and geometries. Neural operators provide a data-driven alternative by learning solution operators between function spaces, but current architectures often fail to capture multiscale behavior and neglect underlying physical symmetries. Here we show that an equivariant U-shaped neural operator (E-UNO) can learn the evolution of the phase-field variable from short histories of past dynamics, achieving accurate predictions across space and time. The model combines global spectral convolution with a multi-resolution U-shaped architecture and regulates translation equivariance to align with the underlying physics. E-UNO outperforms standard Fourier neural operator and U-shaped neural operator baselines, particularly on fine-scale and high-frequency structures. By encoding symmetry and scale hierarchy, the model generalizes better, requires less training data, and yields physically consistent dynamics. This establishes E-UNO as an efficient surrogate for complex phase-field systems.
Authors: Li Rong Wang, Thomas C. Henderson, Yew Soon Ong, Yih Yng Ng, Xiuyi Fan
Abstract: Vital signs, such as heart rate and blood pressure, are critical indicators of patient health and are widely used in clinical monitoring and decision-making. While deep learning models have shown promise in forecasting these signals, their deployment in healthcare remains limited in part because clinicians must be able to trust and interpret model outputs. Without reliable uncertainty quantification -- particularly calibrated prediction intervals (PIs) -- it is unclear whether a forecasted abnormality constitutes a meaningful warning or merely reflects model noise, hindering clinical decision-making. To address this, we present two methods for deriving PIs from the Reconstruction Uncertainty Estimate (RUE), an uncertainty measure well-suited to vital-sign forecasting due to its sensitivity to data shifts and support for label-free calibration. Our parametric approach assumes that prediction errors and uncertainty estimates follow a Gaussian copula distribution, enabling closed-form PI computation. Our non-parametric approach, based on k-nearest neighbours (KNN), empirically estimates the conditional error distribution using similar validation instances. We evaluate these methods on two large public datasets with minute- and hour-level sampling, representing high- and low-frequency health signals. Experiments demonstrate that the Gaussian copula method consistently outperforms conformal prediction baselines on low-frequency data, while the KNN approach performs best on high-frequency data. These results underscore the clinical promise of RUE-derived PIs for delivering interpretable, uncertainty-aware vital sign forecasts.
Authors: Xinyu Tang, Zhenduo Zhang, Yurou Liu, Wayne Xin Zhao, Zujie Wen, Zhiqiang Zhang, Jun Zhou
Abstract: Recent advances in large reasoning models have leveraged reinforcement learning with verifiable rewards (RLVR) to improve reasoning capabilities. However, scaling these methods typically requires extensive rollout computation and large datasets, leading to high training costs and low data efficiency. To mitigate this issue, we propose DEPO, a Data-Efficient Policy Optimization pipeline that combines optimized strategies for both offline and online data selection. In the offline phase, we curate a high-quality subset of training samples based on diversity, influence, and appropriate difficulty. During online RLVR training, we introduce a sample-level explorability metric to dynamically filter samples with low exploration potential, thereby reducing substantial rollout computational costs. Furthermore, we incorporate a replay mechanism for under-explored samples to ensure adequate training, which enhances the model's final convergence performance. Experiments across five reasoning benchmarks show that DEPO consistently outperforms existing methods in both offline and online data selection scenarios. Notably, using only 20% of the training data, our approach achieves a 1.85 times speed-up on AIME24 and a 1.66 times speed-up on AIME25 compared to GRPO trained on the full dataset.
Authors: Hong Lu, Jiali Chen, Jingzhao Zhang, Guannan He, Xuebing Han, Minggao Ouyang
Abstract: Industrial-scale battery management involves various types of tasks, such as estimation, prediction, and system-level diagnostics. Each task employs distinct data across temporal scales, sensor resolutions, and data channels. Building task-specific methods requires a great deal of data and engineering effort, which limits the scalability of intelligent battery management. Here we present the Flexible Masked Autoencoder (FMAE), a flexible pretraining framework that can learn with missing battery data channels and capture inter-correlations across data snippets. FMAE learns unified battery representations from heterogeneous data and can be adopted by different tasks with minimal data and engineering efforts. Experimentally, FMAE consistently outperforms all task-specific methods across five battery management tasks with eleven battery datasets. On remaining life prediction tasks, FMAE uses 50 times less inference data while maintaining state-of-the-art results. Moreover, when real-world data lack certain information, such as system voltage, FMAE can still be applied with marginal performance impact, achieving comparable results with the best hand-crafted features. FMAE demonstrates a practical route to a flexible, data-efficient model that simplifies real-world multi-task management of dynamical systems.
Authors: Wei Bu
Abstract: Modern optimization faces a fundamental challenge: local gradient-based methods provide no global information about the objective function $L$ landscape, often leading to suboptimal convergence and sensitivity to initialization. We introduce a novel optimization framework that leverages resurgence theory from complex analysis to extract global structural information from divergent asymptotic series. Our key insight is that the factorially divergent perturbative expansions of parameter space partition functions encode precise information about all critical objective function value in the landscape through their Borel transform singularities. The algorithm works by computing the statistical mechanical partition function $Z(g) = \int e^{-L(\theta)/g} d\theta$ for small coupling $g\ll 1$, extracting its asymptotic series coefficients, and identifying Borel plane singularities that correspond one-to-one with critical objective function values. These target values provide global guidance to local optimizers, enabling principled learning rate adaptation and escape from suboptimal regions. Unlike heuristic adaptive methods, targets are theoretically grounded in the geometry of the optimization landscape.
Authors: Jaeho Choi, Hyeri Kim, Kwang-Ho Kim, Jaesung Lee
Abstract: Accurate precipitation forecasting is becoming increasingly important in the context of climate change. In response, machine learning-based approaches have recently gained attention as an emerging alternative to traditional methods such as numerical weather prediction and climate models. Nonetheless, many recent approaches still rely on off-the-shelf loss functions, and even the more advanced ones merely involve optimization processes based on the critical success index (CSI). The problem, however, is that CSI may become ineffective during extended dry periods when precipitation remains below the threshold, rendering it less than ideal as a criterion for optimization. To address this limitation, we introduce a simple penalty expression and reinterpret it as a quadratic unconstrained binary optimization (QUBO) formulation. Ultimately, the resulting QUBO formulation is relaxed into a differentiable advanced torrential (AT) loss function through an approximation process. The proposed AT loss demonstrates its superiority through the Lipschitz constant, forecast performance evaluations, consistency experiments, and ablation studies with the operational model.
Authors: Soma Bandyopadhyay, Sudeshna Sarkar
Abstract: In this work, we propose a novel generative method to identify the causal impact and apply it to prediction tasks. We conduct causal impact analysis using interventional and counterfactual perspectives. First, applying interventions, we identify features that have a causal influence on the predicted outcome, which we refer to as causally sensitive features, and second, applying counterfactuals, we evaluate how changes in the cause affect the effect. Our method exploits the Conditional Variational Autoencoder (CVAE) to identify the causal impact and serve as a generative predictor. We are able to reduce confounding bias by identifying causally sensitive features. We demonstrate the effectiveness of our method by recommending the most likely locations a user will visit next in their spatiotemporal trajectory influenced by the causal relationships among various features. Experiments on the large-scale GeoLife [Zheng et al., 2010] dataset and the benchmark Asia Bayesian network validate the ability of our method to identify causal impact and improve predictive performance.
Authors: Wei Huang, Anda Cheng, Zhao Zhang, Yinggui Wang
Abstract: Current open-source training pipelines for Chinese medical language models predominantly emphasize optimizing training methodologies to enhance the performance of large language models (LLMs), yet lack comprehensive exploration into training data processing. To address this gap, we propose DPF-CM, a holistic Data Processing Framework for Chinese Medical LLMs training and deployment. DPF-CM comprises two core modules. The first module is a data processing pipeline tailored for model training. Beyond standard data processing operations, we (1) introduce a chained examples context-learning strategy to generate question-oriented instructions to mitigate the lack of instruction content, and (2) implement an ensemble-based filtering mechanism for preference data curation that averages multiple reward models to suppress noisy samples. The second module focuses on privacy preservation during model deployment. To prevent privacy risks from the inadvertent exposure of training data, we propose a Privacy Preserving Vector Database (PPVD) approach, which involves model memory search, high-risk database construction, secure database construction, and match-and-replace, four key stages to minimize privacy leakage during inference collectively. Experimental results show that DPF-CM significantly improves model accuracy, enabling our trained Chinese medical LLM to achieve state-of-the-art performance among open-source counterparts. Moreover, the framework reduces training data privacy leakage by 27%.
Authors: Jiarui Cao, Zhiyang Zhang, Heming Wang, Jun Xu, Ling Lan, Ran Gu
Abstract: Nowadays, the nanostructure inverse problem is an attractive problem that helps researchers to understand the relationship between the properties and the structure of nanomaterials. This article focuses on the problem of using PDF to recover the nanostructure, which this article views as a conditional generation problem. This article propose a deep learning model CbLDM, Condition-based Latent Diffusion Model. Based on the original latent diffusion model, the sampling steps of the diffusion model are reduced and the sample generation efficiency is improved by using the conditional prior to estimate conditional posterior distribution, which is the approximated distribution of p(z|x). In addition, this article uses the Laplacian matrix instead of the distance matrix to recover the nanostructure, which can reduce the reconstruction error. Finally, this article compares CbLDM with existing models which were used to solve the nanostructure inverse problem, and find that CbLDM demonstrates significantly higher prediction accuracy than these models, which reflects the ability of CbLDM to solve the nanostructure inverse problem and the potential to cope with other continuous conditional generation tasks.
Authors: Jo\"el Mathys, Federico Errica
Abstract: Message-passing architectures struggle to sufficiently model long-range dependencies in node and graph prediction tasks. We propose a novel approach exploiting hierarchical graph structures and adaptive random walks to address this challenge. Our method introduces learnable transition probabilities that decide whether the walk should prefer the original graph or travel across hierarchical shortcuts. On a synthetic long-range task, we demonstrate that our approach can exceed the theoretical bound that constrains traditional approaches operating solely on the original topology. Specifically, walks that prefer the hierarchy achieve the same performance as longer walks on the original graph. These preliminary findings open a promising direction for efficiently processing large graphs while effectively capturing long-range dependencies.
Authors: Armin Had\v{z}i\'c, Milan Papez, Tom\'a\v{s} Pevn\'y
Abstract: Deep generative models with discrete latent space, such as the Vector-Quantized Variational Autoencoder (VQ-VAE), offer excellent data generation capabilities, but, due to the large size of their latent space, their probabilistic inference is deemed intractable. We demonstrate that the VQ-VAE can be distilled into a tractable model by selecting a subset of latent variables with high probabilities. This simple strategy is particularly efficient, especially if the VQ-VAE underutilizes its latent space, which is, indeed, very often the case. We frame the distilled model as a probabilistic circuit, and show that it preserves expressiveness of the VQ-VAE while providing tractable probabilistic inference. Experiments illustrate competitive performance in density estimation and conditional generation tasks, challenging the view of the VQ-VAE as an inherently intractable model.
Authors: Matteo Ballegeer, Matthias Bogaert, Dries F. Benoit
Abstract: Instance-dependent cost-sensitive (IDCS) classifiers offer a promising approach to improving cost-efficiency in credit scoring by tailoring loss functions to instance-specific costs. However, the impact of such loss functions on the stability of model explanations remains unexplored in literature, despite increasing regulatory demands for transparency. This study addresses this gap by evaluating the stability of Local Interpretable Model-agnostic Explanations (LIME) and SHapley Additive exPlanations (SHAP) when applied to IDCS models. Using four publicly available credit scoring datasets, we first assess the discriminatory power and cost-efficiency of IDCS classifiers, introducing a novel metric to enhance cross-dataset comparability. We then investigate the stability of SHAP and LIME feature importance rankings under varying degrees of class imbalance through controlled resampling. Our results reveal that while IDCS classifiers improve cost-efficiency, they produce significantly less stable explanations compared to traditional models, particularly as class imbalance increases, highlighting a critical trade-off between cost optimization and interpretability in credit scoring. Amid increasing regulatory scrutiny on explainability, this research underscores the pressing need to address stability issues in IDCS classifiers to ensure that their cost advantages are not undermined by unstable or untrustworthy explanations.
Authors: Qiyun Cheng, Md Hossain Sahadath, Huihua Yang, Shaowu Pan, Wei Ji
Abstract: The computational overhead of traditional numerical solvers for partial differential equations (PDEs) remains a critical bottleneck for large-scale parametric studies and design optimization. We introduce a Minimal-Data Parametric Neural Operator Preconditioning (MD-PNOP) framework, which establishes a new paradigm for accelerating parametric PDE solvers while strictly preserving physical constraints. The key idea is to recast the residual from parameter deviation as additional source term, where any trained neural operator can be used to refine the solution in an offline fashion. This directly addresses the fundamental extrapolation limitation of neural operators, enabling extrapolative generalization of any neural operator trained at a single parameter setting across a wide range of configurations without any retraining. The neural operator predictions are then embedded into iterative PDE solvers as improved initial guesses, thereby reducing convergence iterations without sacrificing accuracy. Unlike purely data-driven approaches, MD-PNOP guarantees that the governing equations remain fully enforced, eliminating concerns about loss of physics or interpretability. The framework is architecture-agnostic and is demonstrated using both Deep Operator Networks (DeepONet) and Fourier Neural Operators (FNO) for Boltzmann transport equation solvers in neutron transport applications. We demonstrated that neural operators trained on a single set of constant parameters successfully accelerate solutions with heterogeneous, sinusoidal, and discontinuous parameter distributions. Besides, MD-PNOP consistently achieves ~50% reduction in computational time while maintaining full order fidelity for fixed-source, single-group eigenvalue, and multigroup coupled eigenvalue problems.
Authors: Nikola Milosevic, Nico Scherf
Abstract: Reward maximization, safe exploration, and intrinsic motivation are often studied as separate objectives in reinforcement learning (RL). We present a unified geometric framework, that views these goals as instances of a single optimization problem on the space of achievable long-term behavior in an environment. Within this framework, classical methods such as policy mirror descent, natural policy gradient, and trust-region algorithms naturally generalize to nonlinear utilities and convex constraints. We illustrate how this perspective captures robustness, safety, exploration, and diversity objectives, and outline open challenges at the interface of geometry and deep RL.
Authors: Andrei Semenov, Matteo Pagliardini, Martin Jaggi
Abstract: The recent development of Large Language Models (LLMs) has been accompanied by an effervescence of novel ideas and methods to better optimize the loss of deep learning models. Claims from those methods are myriad: from faster convergence to removing reliance on certain hyperparameters. However, the diverse experimental protocols used to validate these claims make direct comparisons between methods challenging. This study presents a comprehensive evaluation of recent optimization techniques across standardized LLM pretraining scenarios, systematically varying model size, batch size, and training duration. Through careful tuning of each method, we provide guidance to practitioners on which optimizer is best suited for each scenario. For researchers, our work highlights promising directions for future optimization research. Finally, by releasing our code and making all experiments fully reproducible, we hope our efforts can help the development and rigorous benchmarking of future methods.
Authors: Clayton Leite, Yu Xiao
Abstract: This paper introduces a novel approach to enhance existing motion captioning methods, which directly map representations of movement to high-level descriptive captions (e.g., ``a person doing jumping jacks"). The existing methods require motion data annotated with high-level descriptions (e.g., ``jumping jacks"). However, such data is rarely available in existing motion-text datasets, which additionally do not include low-level motion descriptions. To address this, we propose a two-step hierarchical approach. First, we employ large language models to create detailed descriptions corresponding to each high-level caption that appears in the motion-text datasets (e.g., ``jumping while synchronizing arm extensions with the opening and closing of legs" for ``jumping jacks"). These refined annotations are used to retrain motion-to-text models to produce captions with low-level details. Second, we introduce a pioneering retrieval-based mechanism. It aligns the detailed low-level captions with candidate high-level captions from additional text data sources, and combine them with motion features to fabricate precise high-level captions. Our methodology is distinctive in its ability to harness knowledge from external text sources to greatly increase motion captioning accuracy, especially for movements not covered in existing motion-text datasets. Experiments on three distinct motion-text datasets (HumanML3D, KIT, and BOTH57M) demonstrate that our method achieves an improvement in average performance (across BLEU-1, BLEU-4, CIDEr, and ROUGE-L) ranging from 6% to 50% compared to the state-of-the-art M2T-Interpretable.
Authors: Jingyuan Zhou, Hao Qian, Shikui Tu, Lei Xu
Abstract: Structure-based drug design (SBDD), aiming to generate 3D molecules with high binding affinity toward target proteins, is a vital approach in novel drug discovery. Although recent generative models have shown great potential, they suffer from unstable probability dynamics and mismatch between generated molecule size and the protein pockets geometry, resulting in inconsistent quality and off-target effects. We propose PAFlow, a novel target-aware molecular generation model featuring prior interaction guidance and a learnable atom number predictor. PAFlow adopts the efficient flow matching framework to model the generation process and constructs a new form of conditional flow matching for discrete atom types. A protein-ligand interaction predictor is incorporated to guide the vector field toward higher-affinity regions during generation, while an atom number predictor based on protein pocket information is designed to better align generated molecule size with target geometry. Extensive experiments on the CrossDocked2020 benchmark show that PAFlow achieves a new state-of-the-art in binding affinity (up to -8.31 Avg. Vina Score), simultaneously maintains favorable molecular properties.
Authors: Zhangyue Shi, Zekai Wang, Yuxuan Li
Abstract: In clinical practice, automatic analysis of electrocardiogram (ECG) is widely applied to identify irregular heart rhythms and other electrical anomalies of the heart, enabling timely intervention and potentially improving clinical outcomes. However, due to the limited samples in certain types of ECG signals, the class imbalance issues pose a challenge for ECG-based detection. In addition, as the volume of patient data grows, long-term storage of all historical data becomes increasingly burdensome as training samples to recognize new patterns and classify existing ECG signals accurately. Therefore, to enhance the performance of anomaly detection while addressing storage limitations, we propose a pseudo-replay based semi-supervised continual learning framework, which consists of two components: unsupervised identification and replay-based detection. For unsupervised identification, an unsupervised generative adversarial network (GAN)-based framework is integrated to detect novel patterns. Besides, instead of directly storing all historical data, a pseudo replay-based learning strategy is proposed which utilizes a generator to learn the data distribution for each individual task. When a new task arises, the generator synthesizes pseudo data representative of previous learnt classes, enabling the model to detect both the existed patterns and the newly presented anomalies. The effectiveness of the proposed framework is validated in four public ECG datasets, which leverages supervised classification problems for anomaly detection. The experimental results show that the developed approach is very promising in identifying novel anomalies while maintaining good performance on detecting existing ECG signals.
Authors: Mingzhi Dai, Weiwei Cai, Xiang Feng, Huiqun Yu, Weibin Guo, Miao Guo
Abstract: Microbiomes not only underpin Earth's biogeochemical cycles but also play crucial roles in both engineered and natural ecosystems, such as the soil, wastewater treatment, and the human gut. However, microbiome engineering faces significant obstacles to surmount to deliver the desired improvements in microbiome control. Here, we use the backpropagation neural network (BPNN), optimized through differential evolution (DE-BP), to predict the microbial composition of activated sludge (AS) systems collected from wastewater treatment plants (WWTPs) located worldwide. Furthermore, we introduce a novel clustering algorithm termed Directional Position Nonlinear Emotional Preference Migration Behavior Clustering (DPNG-EPMC). This method is applied to conduct a clustering analysis of WWTPs across various feature attributes. Finally, we employ the Similar Time Generative Adversarial Networks (SiTime-GAN), to synthesize novel microbial compositions and feature attributes data. As a result, we demonstrate that the DE-BP model can provide superior predictions of the microbial composition. Additionally, we show that the DPNG-EPMC can be applied to the analysis of WWTPs under various feature attributes. Finally, we demonstrate that the SiTime-GAN model can generate valuable incremental synthetic data. Our results, obtained through predicting the microbial community and conducting analysis of WWTPs under various feature attributes, develop an understanding of the factors influencing AS communities.
Authors: Jiao Chen, Jiayi He, Fangfang Chen, Zuohong Lv, Jianhua Tang
Abstract: Catastrophic forgetting remains a central challenge in continual learning (CL) with pre-trained models. While existing approaches typically freeze the backbone and fine-tune a small number of parameters to mitigate forgetting, they still rely on iterative error backpropagation and gradient-based optimization, which can be computationally intensive and less suitable for resource-constrained environments. To address this, we propose FoRo, a forward-only, gradient-free continual learning method. FoRo consists of a lightweight prompt tuning strategy and a novel knowledge encoding mechanism, both designed without modifying the pre-trained model. Specifically, prompt embeddings are inserted at the input layer and optimized using the Covariance Matrix Adaptation Evolution Strategy (CMA-ES), which mitigates distribution shifts and extracts high-quality task representations. Subsequently, task-specific knowledge is encoded into a knowledge encoding matrix via nonlinear random projection and recursive least squares, enabling incremental updates to the classifier without revisiting prior data. Experiments show that FoRo significantly reduces average forgetting and improves accuracy. Thanks to forward-only learning, FoRo reduces memory usage and run time while maintaining high knowledge retention across long task sequences. These results suggest that FoRo could serve as a promising direction for exploring continual learning with pre-trained models, especially in real-world multimedia applications where both efficiency and effectiveness are critical.
Authors: Smayan Khanna, Doruk Efe G\"okmen, Risi Kondor, Vincenzo Vitelli
Abstract: Graph Contrastive Learning (GCL) has emerged as a leading paradigm for self- supervised learning on graphs, with strong performance reported on standardized datasets and growing applications ranging from genomics to drug discovery. We ask a basic question: does GCL actually outperform untrained baselines? We find that GCL's advantage depends strongly on dataset size and task difficulty. On standard datasets, untrained Graph Neural Networks (GNNs), simple multilayer perceptrons, and even handcrafted statistics can rival or exceed GCL. On the large molecular dataset ogbg-molhiv, we observe a crossover: GCL lags at small scales but pulls ahead beyond a few thousand graphs, though this gain eventually plateaus. On synthetic datasets, GCL accuracy approximately scales with the logarithm of the number of graphs and its performance gap (compared with untrained GNNs) varies with respect to task complexity. Moving forward, it is crucial to identify the role of dataset size in benchmarks and applications, as well as to design GCL algorithms that avoid performance plateaus.
Authors: Konstantin Mark, Leonard Galustian, Maximilian P. -P. Kovar, Esther Heid
Abstract: Conditional Flow Matching(CFM) represents a fast and high-quality approach to generative modelling, but in many applications it is of interest to steer the generated samples towards precise requirements. While steering approaches like gradient-based guidance, sequential Monte Carlo steering or Feynman-Kac steering are well established for diffusion models, they have not been extended to flow matching approaches yet. In this work, we formulate this requirement as tilting the output with an energy potential. We derive, for the first time, Feynman-Kac steering for CFM. We evaluate our approach on a set of synthetic tasks, including the generation of tilted distributions in a high-dimensional space, which is a particularly challenging case for steering approaches. We then demonstrate the impact of Feynman-Kac steered CFM on the previously unsolved challenge of generated transition states of chemical reactions with the correct chirality, where the reactants or products can have a different handedness, leading to geometric constraints of the viable reaction pathways connecting reactants and products. Code to reproduce this study is avaiable open-source at https://github.com/heid-lab/fkflow.
Authors: Zihao Wang, Enneng Yang, Lu Yin, Shiwei Liu, Li Shen
Abstract: Model merging leverages multiple finetuned expert models to construct a multi-task model with low cost, and is gaining increasing attention. However, as a growing number of finetuned models become publicly available, concerns about the safety of model merging have emerged. Unauthorized merging may infringe on developers' rights and risk leaking sensitive personal information. Most existing methods focus on detecting whether a merged model originates from a specific source model, but fail to effectively prevent illegal merging. In this paper, we propose MergeLock, an active protection mechanism that disrupts model parameters to render them unmergeable, thereby directly preventing unauthorized model merging. Specifically, leveraging the inherent symmetry of the attention mechanism in Transformer-based models, we randomly sample two pairs of invertible matrices and apply them to the Query-Key (QK) and Value-Output (VO) branches. This transformation keeps the model's output unchanged while pushing it away from the shared parameter space of other finetuned models. Extensive experiments across both vision and language tasks demonstrate that MergeLock can degrade the performance of merged models by over 95% when a protected model is involved in most cases, demonstrating its effectiveness. Moreover, we further demonstrate that merged models protected by MergeLock cannot be effectively recovered using low-cost restoration methods, further enhancing robustness against unauthorized merging. The code is available at https://github.com/hetailang/Merge-Lock.
Authors: Bram van den Akker
Abstract: Uplift modeling is a key technique for promotion optimization in recommender systems, but standard methods typically fail to account for interference, where treating one item affects the outcomes of others. This violation of the Stable Unit Treatment Value Assumption (SUTVA) leads to suboptimal policies in real-world marketplaces. Recent developments in interference-aware estimators such as Additive Inverse Propensity Weighting (AddIPW) have not found their way into the uplift modeling literature yet, and optimising policies using these estimators is not well-established. This paper proposes a practical methodology to bridge this gap. We use the AddIPW estimator as a differentiable learning objective suitable for gradient-based optimization. We demonstrate how this framework can be integrated with proven response transformation techniques to directly optimize for economic outcomes like incremental profit. Through simulations, we show that our approach significantly outperforms interference-naive methods, especially as interference effects grow. Furthermore, we find that adapting profit-centric uplift strategies within our framework can yield superior performance in identifying the highest-impact interventions, offering a practical path toward more profitable incentive personalization.
Authors: Louis Simon, Mohamed Chetouani
Abstract: The widespread adoption of mobile and wearable sensing technologies has enabled continuous and personalized monitoring of affect, mood disorders, and stress. When combined with ecological self-report questionnaires, these systems offer a powerful opportunity to explore longitudinal modeling of human behaviors. However, challenges arise from missing data and the irregular timing of self-reports, which make challenging the prediction of human states and behaviors. In this study, we investigate the use of time embeddings to capture time dependencies within sequences of Ecological Momentary Assessments (EMA). We introduce a novel time embedding method, Ema2Vec, designed to effectively handle irregularly spaced self-reports, and evaluate it on a new task of longitudinal stress prediction. Our method outperforms standard stress prediction baselines that rely on fixed-size daily windows, as well as models trained directly on longitudinal sequences without time-aware representations. These findings emphasize the importance of incorporating time embeddings when modeling irregularly sampled longitudinal data.
Authors: Maciej Krzysztof Zuziak, Roberto Pellungrini, Salvatore Rinzivillo
Abstract: Federated Learning (FL) is a widespread and well-adopted paradigm of decentralised learning that allows training one model from multiple sources without the need to transfer data between participating clients directly. Since its inception in 2015, it has been divided into numerous subfields that deal with application-specific issues, such as data heterogeneity or resource allocation. One such sub-field, Clustered Federated Learning (CFL), deals with the problem of clustering the population of clients into separate cohorts to deliver personalised models. Although a few remarkable works have been published in this domain, the problem remains largely unexplored, as its basic assumptions and settings differ slightly from those of standard FL. In this work, we present One-Shot Clustered Federated Learning (OCFL), a clustering-agnostic algorithm that can automatically detect the earliest suitable moment for clustering. Our algorithm is based on computing the cosine distance between the gradients of the clients and a temperature measure that detects when the federated model starts to converge. We empirically evaluate our methodology by testing various one-shot clustering algorithms for over forty different tasks on five benchmark datasets. Our experiments showcase the good performance of our approach when used to perform CFL in an automated manner without the need to adjust hyperparameters. We also revisit the practical feasibility of CFL algorithms based on the gradients of the clients, providing firm evidence of the high efficiency of density-based clustering methods when used to differentiate between the loss surfaces of neural networks trained on different distributions. Moreover, by inspecting the feasibility of local explanations generated with the help of GradCAM, we can provide more insights into the relationship between personalisation and the explainability of local predictions.
Authors: Tianye Fang, Xuanshu Luo, Martin Werner
Abstract: The increasing availability of big mobility data from ubiquitous portable devices enables human mobility prediction through deep learning approaches. However, the diverse complexity of human mobility data impedes model training, leading to inefficient gradient updates and potential underfitting. Meanwhile, exclusively predicting next locations neglects implicit determinants, including distances and directions, thereby yielding suboptimal prediction results. This paper presents a unified training framework that integrates entropy-driven curriculum and multi-task learning to address these challenges. The proposed entropy-driven curriculum learning strategy quantifies trajectory predictability based on Lempel-Ziv compression and organizes training from simple to complex for faster convergence and enhanced performance. The multi-task training simultaneously optimizes the primary location prediction alongside auxiliary estimation of movement distance and direction for learning realistic mobility patterns, and improve prediction accuracy through complementary supervision signals. Extensive experiments conducted in accordance with the HuMob Challenge demonstrate that our approach achieves state-of-the-art performance on GEO-BLEU (0.354) and DTW (26.15) metrics with up to 2.92-fold convergence speed compared to training without curriculum learning.
Authors: Tim Schwabe, Moritz Lange, Laurenz Wiskott, Maribel Acosta
Abstract: Gradient-based causal discovery shows great potential for deducing causal structure from data in an efficient and scalable way. Those approaches however can be susceptible to distributional biases in the data they are trained on. We identify two such biases: Marginal Distribution Asymmetry, where differences in entropy skew causal learning toward certain factorizations, and Marginal Distribution Shift Asymmetry, where repeated interventions cause faster shifts in some variables than in others. For the bivariate categorical setup with Dirichlet priors, we illustrate how these biases can occur even in controlled synthetic data. To examine their impact on gradient-based methods, we employ two simple models that derive causal factorizations by learning marginal or conditional data distributions - a common strategy in gradient-based causal discovery. We demonstrate how these models can be susceptible to both biases. We additionally show how the biases can be controlled. An empirical evaluation of two related, existing approaches indicates that eliminating competition between possible causal factorizations can make models robust to the presented biases.
Authors: Bingheng Wang, Yichao Gao, Tianchen Sun, Lin Zhao
Abstract: Distributed trajectory optimization via ADMM-DDP is a powerful approach for coordinating multi-agent systems, but it requires extensive tuning of tightly coupled hyperparameters that jointly govern local task performance and global coordination. In this paper, we propose Learning to Coordinate (L2C), a general framework that meta-learns these hyperparameters, modeled by lightweight agent-wise neural networks, to adapt across diverse tasks and agent configurations. L2C differentiates end-to-end through the ADMM-DDP pipeline in a distributed manner. It also enables efficient meta-gradient computation by reusing DDP components such as Riccati recursions and feedback gains. These gradients correspond to the optimal solutions of distributed matrix-valued LQR problems, coordinated across agents via an auxiliary ADMM framework that becomes convex under mild assumptions. Training is further accelerated by truncating iterations and meta-learning ADMM penalty parameters optimized for rapid residual reduction, with provable Lipschitz-bounded gradient errors. On a challenging cooperative aerial transport task, L2C generates dynamically feasible trajectories in high-fidelity simulation using IsaacSIM, reconfigures quadrotor formations for safe 6-DoF load manipulation in tight spaces, and adapts robustly to varying team sizes and task conditions, while achieving up to $88\%$ faster gradient computation than state-of-the-art methods.
Authors: Tristan Deleu, Padideh Nouri, Yoshua Bengio, Doina Precup
Abstract: Recent progress in generative modeling has highlighted the importance of Reinforcement Learning (RL) for fine-tuning, with KL-regularized methods in particular proving to be highly effective for both autoregressive and diffusion models. Complementing this line of work, the Relative Trajectory Balance (RTB) objective was recently introduced in the context of Generative Flow Networks (GFlowNets) to serve the same role of improving fine-tuning in sequential generative models. Building on prior work linking GFlowNets and maximum-entropy RL, we establish in this paper an equivalence between RTB and Trust-PCL, an off-policy RL method with KL regularization. This equivalence situates RTB within the broader theoretical landscape of KL-regularized RL, and clarifies its relationship to earlier methods. Leveraging this insight, we revisit an illustrative example from the RTB paper and show that KL-regularized RL methods achieve comparable performance, offering an alternative perspective to what was previously reported.
Authors: Maximilian P. Oppelt, Andreas Foltyn, Nadine R. Lang-Richter, Bjoern M. Eskofier
Abstract: Task load detection is essential for optimizing human performance across diverse applications, yet current models often lack generalizability beyond narrow experimental domains. While prior research has focused on individual tasks and limited modalities, there remains a gap in evaluating model robustness and transferability in real-world scenarios. This paper addresses these limitations by introducing a new multimodal dataset that extends established cognitive load detection benchmarks with a real-world gaming application, using the $n$-back test as a scientific foundation. Task load annotations are derived from objective performance, subjective NASA-TLX ratings, and task-level design, enabling a comprehensive evaluation framework. State-of-the-art end-to-end model, including xLSTM, ConvNeXt, and Transformer architectures are systematically trained and evaluated on multiple modalities and application domains to assess their predictive performance and cross-domain generalization. Results demonstrate that multimodal approaches consistently outperform unimodal baselines, with specific modalities and model architectures showing varying impact depending on the application subset. Importantly, models trained on one domain exhibit reduced performance when transferred to novel applications, underscoring remaining challenges for universal cognitive load estimation. These findings provide robust baselines and actionable insights for developing more generalizable cognitive load detection systems, advancing both research and practical implementation in human-computer interaction and adaptive systems.
Authors: Sachin Goyal, David Lopez-Paz, Kartik Ahuja
Abstract: In the past year, distillation has seen a renewed prominence in large language model (LLM) pretraining, exemplified by the Llama-3.2 and Gemma model families. While distillation has historically been shown to improve statistical modeling, its effects on new paradigms that are key to modern LLMs, such as test-time scaling and in-context learning, remain underexplored. In this work, we make three main contributions. First, we show that pretraining with distillation yields models that exhibit remarkably better test-time scaling. Second, we observe that this benefit comes with a trade-off: distillation impairs in-context learning capabilities, particularly the one modeled via induction heads. Third, to demystify these findings, we study distilled pretraining in a sandbox of a bigram model, which helps us isolate the common principal factor behind our observations. Finally, using these insights, we shed light on various design choices for pretraining that should help practitioners going forward.
Authors: Zhi-Feng Wei, Wenqian Chen, Panos Stinis
Abstract: Operator learning has emerged as a promising tool for accelerating the solution of partial differential equations (PDEs). The Deep Operator Networks (DeepONets) represent a pioneering framework in this area: the "vanilla" DeepONet is valued for its simplicity and efficiency, while the modified DeepONet achieves higher accuracy at the cost of increased training time. In this work, we propose a series of Transformer-inspired DeepONet variants that introduce bidirectional cross-conditioning between the branch and trunk networks in DeepONet. Query-point information is injected into the branch network and input-function information into the trunk network, enabling dynamic dependencies while preserving the simplicity and efficiency of the "vanilla" DeepONet in a non-intrusive manner. Experiments on four PDE benchmarks -- advection, diffusion-reaction, Burgers', and Korteweg-de Vries equations -- show that for each case, there exists a variant that matches or surpasses the accuracy of the modified DeepONet while offering improved training efficiency. Moreover, the best-performing variant for each equation aligns naturally with the equation's underlying characteristics, suggesting that the effectiveness of cross-conditioning depends on the characteristics of the equation and its underlying physics. To ensure robustness, we validate the effectiveness of our variants through a range of rigorous statistical analyses, among them the Wilcoxon Two One-Sided Test, Glass's Delta, and Spearman's rank correlation.
Authors: Sherry Yang, Joy He-Yueya, Percy Liang
Abstract: Existing agents for solving tasks such as ML engineering rely on prompting powerful language models. As a result, these agents do not improve with more experience. In this paper, we show that agents backed by weaker models that improve via reinforcement learning (RL) can outperform agents backed by much larger, but static models. We identify two major challenges with RL in this setting. First, actions can take a variable amount of time (e.g., executing code for different solutions), which leads to asynchronous policy gradient updates that favor faster but suboptimal solutions. To tackle variable-duration actions, we propose duration- aware gradient updates in a distributed asynchronous RL framework to amplify high-cost but high-reward actions. Second, using only test split performance as a reward provides limited feedback. A program that is nearly correct is treated the same as one that fails entirely. To address this, we propose environment instrumentation to offer partial credit, distinguishing almost-correct programs from those that fail early (e.g., during data loading). Environment instrumentation uses a separate static language model to insert print statement to an existing program to log the agent's experimental progress, from which partial credit can be extracted as reward signals for learning. Our experimental results on MLEBench suggest that performing gradient updates on a much smaller model (Qwen2.5-3B) trained with RL outperforms prompting a much larger model (Claude-3.5-Sonnet) with agent scaffolds, by an average of 22% across 12 Kaggle tasks.
Authors: Sara Khan, Mehmed Y\"uksel, Frank Kirchner
Abstract: Wear and tear detection in fleet and shared vehicle systems is a critical challenge, particularly in rental and car-sharing services, where minor damage, such as dents, scratches, and underbody impacts, often goes unnoticed or is detected too late. Currently, manual inspection methods are the default approach but are labour intensive and prone to human error. In contrast, state-of-the-art image-based methods struggle with real-time performance and are less effective at detecting underbody damage due to limited visual access and poor spatial coverage. This work introduces a novel multi-modal architecture based on anomaly detection to address these issues. Sensors such as IMUs and microphones are integrated into a compact device mounted on the vehicle's windshield. This approach supports real-time damage detection while avoiding the need for highly resource-intensive sensors. We developed multiple variants of multi-modal autoencoder-based architectures and evaluated them against unimodal and state-of-the-art methods. Our ensemble pooling multi-modal model achieved the highest performance, with a Receiver Operating Characteristic-Area Under Curve (ROC-AUC) of 92%, demonstrating its effectiveness in real-world applications. This approach can also be extended to other applications, such as improving automotive safety - where it can integrate with airbag systems for efficient deployment - and helping autonomous vehicles by complementing other sensors in collision detection.
Authors: Georgios Papoudakis, Thomas Coste, Jianye Hao, Jun Wang, Kun Shao
Abstract: Reinforcement learning (RL) using foundation models for policy approximations in multi-turn tasks remains challenging. We identify two main limitations related to sparse reward settings and policy gradient updates, based on which we formulate a key insight: updates from positive samples with high returns typically do not require policy regularisation, whereas updates from negative samples, reflecting undesirable behaviour, can harm model performance. This paper introduces Succeed or Learn Slowly (SoLS), a novel off-policy RL algorithm evaluated on mobile app control tasks. SoLS improves sample efficiency when fine-tuning foundation models for user interface navigation via a modified off-policy actor-critic approach, applying direct policy updates for positive samples and conservative, regularised updates for negative ones to prevent model degradation. We augment SoLS with Successful Transition Replay (STR), which prioritises learning from successful interactions, further improving sample efficiency. We evaluate SoLS on the AndroidWorld benchmark, where it significantly outperforms existing methods (at least 17% relative increase), including prompt-engineering and RL approaches, while requiring substantially fewer computational resources than GPT-4o-based methods with 5-60x faster inference.
Authors: Austin Meek, Carlos H. Mendoza-Cardenas, Austin J. Brockmeier
Abstract: EEG recordings contain rich information about neural activity but are subject to artifacts, noise, and superficial differences due to sensors, amplifiers, and filtering. Independent component analysis and automatic labeling of independent components (ICs) enable artifact removal in EEG pipelines. Convolutional Monge Mapping Normalization (CMMN) is a recent tool used to achieve spectral conformity of EEG signals, which was shown to improve deep neural network approaches for sleep staging. Here we propose a novel extension of the CMMN method with two alternative approaches to computing the source reference spectrum the target signals are mapped to: (1) channel-averaged and $l_1$-normalized barycenter, and (2) a subject-to-subject mapping that finds the source subject with the closest spectrum to the target subject. Notably, our extension yields space-time separable filters that can be used to map between datasets with different numbers of EEG channels. We apply these filters in an IC classification task, and show significant improvement in recognizing brain versus non-brain ICs. Clinical relevance - EEG recordings are used in the diagnosis and monitoring of multiple neuropathologies, including epilepsy and psychosis. While EEG analysis can benefit from automating artifact removal through independent component analysis and labeling, differences in recording equipment and context (the presence of noise from electrical wiring and other devices) may impact the performance of machine learning models, but these differences can be minimized by appropriate spectral normalization through filtering.
Authors: Lucas Mansilla, Rodrigo Echeveste, Camila Gonzalez, Diego H. Milone, Enzo Ferrante
Abstract: Biases in machine learning pose significant challenges, particularly when models amplify disparities that affect disadvantaged groups. Traditional bias mitigation techniques often lead to a {\itshape leveling-down effect}, whereby improving outcomes of disadvantaged groups comes at the expense of reduced performance for advantaged groups. This study introduces Bias Mitigation through Continual Learning (BM-CL), a novel framework that leverages the principles of continual learning to address this trade-off. We postulate that mitigating bias is conceptually similar to domain-incremental continual learning, where the model must adjust to changing fairness conditions, improving outcomes for disadvantaged groups without forgetting the knowledge that benefits advantaged groups. Drawing inspiration from techniques such as Learning without Forgetting and Elastic Weight Consolidation, we reinterpret bias mitigation as a continual learning problem. This perspective allows models to incrementally balance fairness objectives, enhancing outcomes for disadvantaged groups while preserving performance for advantaged groups. Experiments on synthetic and real-world image datasets, characterized by diverse sources of bias, demonstrate that the proposed framework mitigates biases while minimizing the loss of original knowledge. Our approach bridges the fields of fairness and continual learning, offering a promising pathway for developing machine learning systems that are both equitable and effective.
Authors: Xinlu Zhang, Na Yan, Yang Su, Yansha Deng, Toktam Mahmoodi
Abstract: Federated learning (FL) for large language models (LLMs) offers a privacy-preserving scheme, enabling clients to collaboratively fine-tune locally deployed LLMs or smaller language models (SLMs) without exchanging raw data. While parameter-sharing methods in traditional FL models solves number of technical challenges, they still incur high communication overhead and struggle with adapting to heterogeneous model architectures. Federated distillation, a framework for mutual knowledge transfer via shared logits, typically offers lower communication overhead than parameter-sharing methods. However, transmitting logits from LLMs remains challenging for bandwidth-limited clients due to their high dimensionality. In this work, we focus on a federated LLM distillation with efficient communication overhead. To achieve this, we first propose an adaptive Top-k logit selection mechanism, dynamically sparsifying logits according to real-time communication conditions. Then to tackle the dimensional inconsistency introduced by the adaptive sparsification, we design an adaptive logits aggregation scheme, effectively alleviating the artificial and uninformative inputs introduced by conventional zero-padding methods. Finally, to enhance the distillation effect, we incorporate LoRA-adapted hidden-layer projection from LLM into the distillation loss, reducing the communication overhead further while providing richer representation. Experimental results demonstrate that our scheme achieves superior performance compared to baseline methods while effectively reducing communication overhead by approximately 50%.
Authors: Aryan Amit Barsainyan, Jing Yu Lim, Dianbo Liu
Abstract: Reinforcement Learning (RL) agents have achieved strong results on benchmarks such as Atari100k, yet they remain limited in robustness to real-world conditions. Model-Based RL approaches that rely on learned World Models often struggle in environments with true stochasticity and partial observability, despite their theoretical grounding in POMDPs. Current benchmarks rarely capture these challenges, focusing instead on deterministic or overly simplified settings, and the lack of a clear taxonomy of stochasticity further hampers systematic evaluation. To address this gap, we introduce STORI (STOchastic-ataRI), a benchmark that incorporates diverse stochastic effects and enables rigorous assessment of RL methods under varied forms of uncertainty. In addition, we propose a taxonomy of stochasticity in RL environments, providing a unified framework for analyzing and comparing approaches.
Authors: Trusting Inekwe, Emmanuel Agu, Winnie Mkandawire, Andres Colubri
Abstract: The COVID-19 pandemic disrupted healthcare systems worldwide, disproportionately impacting individuals with chronic conditions such as cardiovascular disease (CVD). These disruptions -- through delayed care and behavioral changes, affected key CVD biomarkers, including LDL cholesterol (LDL-C), HbA1c, BMI, and systolic blood pressure (SysBP). Accurate modeling of these changes is crucial for predicting disease progression and guiding preventive care. However, prior work has not addressed multi-target prediction of CVD biomarker from Electronic Health Records (EHRs) using machine learning (ML), while jointly capturing biomarker interdependencies, temporal patterns, and predictive uncertainty. In this paper, we propose MBT-CB, a Multi-target Bayesian Transformer (MBT) with pre-trained BERT-based transformer framework to jointly predict LDL-C, HbA1c, BMI and SysBP CVD biomarkers from EHR data. The model leverages Bayesian Variational Inference to estimate uncertainties, embeddings to capture temporal relationships and a DeepMTR model to capture biomarker inter-relationships. We evaluate MBT-CT on retrospective EHR data from 3,390 CVD patient records (304 unique patients) in Central Massachusetts during the Covid-19 pandemic. MBT-CB outperformed a comprehensive set of baselines including other BERT-based ML models, achieving an MAE of 0.00887, RMSE of 0.0135 and MSE of 0.00027, while effectively capturing data and model uncertainty, patient biomarker inter-relationships, and temporal dynamics via its attention and embedding mechanisms. MBT-CB's superior performance highlights its potential to improve CVD biomarker prediction and support clinical decision-making during pandemics.
Authors: Wen Ye, Jinbo Liu, Defu Cao, Wei Yang, Yan Liu
Abstract: The rapid advancement of Large Language Models (LLMs) has sparked growing interest in their application to time series analysis tasks. However, their ability to perform complex reasoning over temporal data in real-world application domains remains underexplored. To move toward this goal, a first step is to establish a rigorous benchmark dataset for evaluation. In this work, we introduce the TSAIA Benchmark, a first attempt to evaluate LLMs as time-series AI assistants. To ensure both scientific rigor and practical relevance, we surveyed over 20 academic publications and identified 33 real-world task formulations. The benchmark encompasses a broad spectrum of challenges, ranging from constraint-aware forecasting to anomaly detection with threshold calibration: tasks that require compositional reasoning and multi-step time series analysis. The question generator is designed to be dynamic and extensible, supporting continuous expansion as new datasets or task types are introduced. Given the heterogeneous nature of the tasks, we adopt task-specific success criteria and tailored inference-quality metrics to ensure meaningful evaluation for each task. We apply this benchmark to assess eight state-of-the-art LLMs under a unified evaluation protocol. Our analysis reveals limitations in current models' ability to assemble complex time series analysis workflows, underscoring the need for specialized methodologies for domain-specific adaptation. Our benchmark is available at https://huggingface.co/datasets/Melady/TSAIA, and the code is available at https://github.com/USC-Melady/TSAIA.
URLs: https://huggingface.co/datasets/Melady/TSAIA,, https://github.com/USC-Melady/TSAIA.
Authors: Vaishnav Vaidheeswaran, Dilith Jayakody, Samruddhi Mulay, Anand Lo, Md Mahbub Alam, Gabriel Spadon
Abstract: Routing vessels through narrow and dynamic waterways is challenging due to changing environmental conditions and operational constraints. Existing vessel-routing studies typically fail to generalize across multiple origin-destination pairs and do not exploit large-scale, data-driven traffic graphs. In this paper, we propose a reinforcement learning solution for big maritime data that can learn to find a route across multiple origin-destination pairs while adapting to different hexagonal grid resolutions. Agents learn to select direction and speed under continuous observations in a multi-discrete action space. A reward function balances fuel efficiency, travel time, wind resistance, and route diversity, using an Automatic Identification System (AIS)-derived traffic graph with ERA5 wind fields. The approach is demonstrated in the Gulf of St. Lawrence, one of the largest estuaries in the world. We evaluate configurations that combine Proximal Policy Optimization with recurrent networks, invalid-action masking, and exploration strategies. Our experiments demonstrate that action masking yields a clear improvement in policy performance and that supplementing penalty-only feedback with positive shaping rewards produces additional gains.
Authors: Weicao Deng, Sangwoo Park, Min Li, Osvaldo Simeone
Abstract: Reliable uncertainty quantification is critical for trustworthy AI. Conformal Prediction (CP) provides prediction sets with distribution-free coverage guarantees, but its two main variants face complementary limitations. Split CP (SCP) suffers from data inefficiency due to dataset partitioning, while full CP (FCP) improves data efficiency at the cost of prohibitive retraining complexity. Recent approaches based on meta-learning or in-context learning (ICL) partially mitigate these drawbacks. However, they rely on training procedures not specifically tailored to CP, which may yield large prediction sets. We introduce an efficient FCP framework, termed enhanced ICL-based FCP (E-ICL+FCP), which employs a permutation-invariant Transformer-based ICL model trained with a CP-aware loss. By simulating the multiple retrained models required by FCP without actual retraining, E-ICL+FCP preserves coverage while markedly reducing both inefficiency and computational overhead. Experiments on synthetic and real tasks demonstrate that E-ICL+FCP attains superior efficiency-coverage trade-offs compared to existing SCP and FCP baselines.
Authors: Qifu Wen, Xi Zeng, Zihan Zhou, Shuaijun Liu, Mehdi Hosseinzadeh, Reza Rawassizadeh
Abstract: Early stopping monitors global validation loss and halts all parameter updates simultaneously, which is computationally costly for large transformers due to the extended time required for validation inference. We propose GradES, a novel gradient-based early stopping approach that operates within transformer components (attention projections and Feed-Forward layer matrices). We found that different components converge at varying rates during fine-tuning. GradES tracks the magnitude of gradients in backpropagation for these matrices during training. When a projection matrix's gradients fall below a convergence threshold $\tau$, we exclude that projection matrix from further updates individually, eliminating costly validation passes while allowing slow converging matrices to continue learning. By strategically freezing parameters when their gradients converge, GradES speeds up training time by 1.57--7.22$\times$ while simultaneously enhancing generalization through early prevention of overfitting, resulting in 1.2% higher average accuracy.
Authors: Jason Abohwo, Thomas Mosen
Abstract: Understanding the inner workings of machine learning models is critical for ensuring their reliability and robustness. Whilst many techniques in mechanistic interpretability focus on activation driven analyses, being able to derive meaningful features directly from the weights of a neural network would provide greater guarantees and more computational efficiency. Existing techniques for analyzing model features through weights suffer from drawbacks such as reduced performance and data inefficiency. In this paper, we introduce Signed Quadratic Shrink (SQS), an activation function designed to allow Gated Linear Units (GLUs) to learn interpretable features without these drawbacks. Our experimental results show that SQS achieves performance competitive with state-of-the-art activation functions whilst enabling weight-based interpretability
Authors: Max T. M. Ng, Roman Engelhardt, Florian Dandl, Hani S. Mahmassani, Klaus Bogenberger
Abstract: This paper develops a semi-on-demand transit feeder service using shared autonomous vehicles (SAVs) and zonal dispatching control based on reinforcement learning (RL). This service combines the cost-effectiveness of fixed-route transit with the adaptability of demand-responsive transport to improve accessibility in lower-density areas. Departing from the terminus, SAVs first make scheduled fixed stops, then offer on-demand pick-ups and drop-offs in a pre-determined flexible-route area. Our deep RL model dynamically assigns vehicles to subdivided flexible-route zones in response to real-time demand fluctuations and operations, using a policy gradient algorithm - Proximal Policy Optimization. The methodology is demonstrated through agent-based simulations on a real-world bus route in Munich, Germany. Results show that after efficient training of the RL model, the semi-on-demand service with dynamic zonal control serves 16% more passengers at 13% higher generalized costs on average compared to traditional fixed-route service. The efficiency gain brought by RL control brings 2.4% more passengers at 1.4% higher costs. This study not only showcases the potential of integrating SAV feeders and machine learning techniques into public transit, but also sets the groundwork for further innovations in addressing first-mile-last-mile problems in multimodal transit systems.
Authors: Huatian Gong, Jiuh-Biing Sheu, Zheng Wang, Xiaoguang Yang, Ran Yan
Abstract: Rapid post-disaster road damage assessment is critical for effective emergency response, yet traditional optimization methods suffer from excessive computational time and require domain knowledge for algorithm design, making them unsuitable for time-sensitive disaster scenarios. This study proposes an attention-based encoder-decoder model (AEDM) for real-time drone routing decision in post-disaster road damage assessment. The method employs deep reinforcement learning to determine high-quality drone assessment routes without requiring algorithmic design knowledge. A network transformation method is developed to convert link-based routing problems into equivalent node-based formulations, while a synthetic road network generation technique addresses the scarcity of large-scale training datasets. The model is trained using policy optimization with multiple optima (POMO) with multi-task learning capabilities to handle diverse parameter combinations. Experimental results demonstrate two key strengths of AEDM: it outperforms commercial solvers by 16--69\% in solution quality and achieves real-time inference (1--2 seconds) versus 100--2,000 seconds for traditional methods. The model exhibits strong generalization across varying problem scales, drone numbers, and time constraints, consistently outperforming baseline methods on unseen parameter distributions and real-world road networks. The proposed method effectively balances computational efficiency with solution quality, making it particularly suitable for time-critical disaster response applications where rapid decision-making is essential for saving lives.
Authors: Raunak Kunwar (University of Texas at Arlington), Aera Kim LeBoulluec (University of Texas at Arlington)
Abstract: Vehicle safety assessment is crucial for consumer information and regulatory oversight. The New Car Assessment Program (NCAP) assigns standardized safety ratings, which traditionally emphasize passive safety measures but now include active safety technologies such as Advanced Driver-Assistance Systems (ADAS). It is crucial to understand how these various systems interact empirically. This study explores whether particular ADAS features like Forward Collision Warning, Lane Departure Warning, Crash Imminent Braking, and Blind Spot Detection, together with established vehicle attributes (e.g., Curb Weight, Model Year, Vehicle Type, Drive Train), can reliably predict a vehicle's likelihood of earning the highest (5-star) overall NCAP rating. Using a publicly available dataset derived from NCAP reports that contain approximately 5,128 vehicle variants spanning model years 2011-2025, we compared four different machine learning models: logistic regression, random forest, gradient boosting, and support vector classifier (SVC) using a 5-fold stratified cross-validation approach. The two best-performing algorithms (random forest and gradient boost) were hyperparameter optimized using RandomizedSearchCV. Analysis of feature importance showed that basic vehicle characteristics, specifically curb weight and model year, dominated predictive capability, contributing more than 55% of the feature relevance of the Random Forest model. However, the inclusion of ADAS features also provided meaningful predictive contributions. The optimized Random Forest model achieved robust results on a held-out test set, with an accuracy of 89.18% and a ROC AUC of 0.9586. This research reveals the use of machine learning to analyze large-scale NCAP data and highlights the combined predictive importance of both established vehicle parameters and modern ADAS features to achieve top safety ratings.
Authors: Tanvir Islam
Abstract: We propose VISP: Volatility Informed Stochastic Projection, an adaptive regularization method that leverages gradient volatility to guide stochastic noise injection in deep neural networks. Unlike conventional techniques that apply uniform noise or fixed dropout rates, VISP dynamically computes volatility from gradient statistics and uses it to scale a stochastic projection matrix. This mechanism selectively regularizes inputs and hidden nodes that exhibit higher gradient volatility while preserving stable representations, thereby mitigating overfitting. Extensive experiments on MNIST, CIFAR-10, and SVHN demonstrate that VISP consistently improves generalization performance over baseline models and fixed-noise alternatives. In addition, detailed analyses of the evolution of volatility, the spectral properties of the projection matrix, and activation distributions reveal that VISP not only stabilizes the internal dynamics of the network but also fosters a more robust feature representation.
Authors: Jifan Zhang, Michelle M. Li, Elena Zheleva
Abstract: Causal disentanglement from soft interventions is identifiable under the assumptions of linear interventional faithfulness and availability of both observational and interventional data. Previous research has looked into this problem from the perspective of i.i.d. data. Here, we develop a framework, GraCE-VAE, for non-i.i.d. settings, in which structured context in the form of network data is available. GraCE-VAE integrates discrepancy-based variational autoencoders with graph neural networks to jointly recover the true latent causal graph and intervention effects. We show that the theoretical results of identifiability from i.i.d. data hold in our setup. We also empirically evaluate GraCE-VAE against state-of-the-art baselines on three genetic perturbation datasets to demonstrate the impact of leveraging structured context for causal disentanglement.
Authors: Zhao Wei, Chin Chun Ooi, Yew-Soon Ong
Abstract: Neural architecture search (NAS) is an attractive approach to automate the design of optimized architectures but is constrained by high computational budget, especially when optimizing for multiple, important conflicting objectives. To address this, an adaptive Co-Kriging-assisted multi-fidelity multi-objective NAS algorithm is proposed to further reduce the computational cost of NAS by incorporating a clustering-based local multi-fidelity infill sampling strategy, enabling efficient exploration of the search space for faster convergence. This algorithm is further accelerated by the use of a novel continuous encoding method to represent the connections of nodes in each cell within a generalized cell-based U-Net backbone, thereby decreasing the search dimension (number of variables). Results indicate that the proposed NAS algorithm outperforms previously published state-of-the-art methods under limited computational budget on three numerical benchmarks, a 2D Darcy flow regression problem and a CHASE_DB1 biomedical image segmentation problem. The proposed method is subsequently used to create a wind velocity regression model with application in urban modelling, with the found model able to achieve good prediction with less computational complexity. Further analysis revealed that the NAS algorithm independently identified principles undergirding superior U-Net architectures in other literature, such as the importance of allowing each cell to incorporate information from prior cells.
Authors: Long Jiang, Yang Yang, Ting Fong May Chui, Morgan Thornwell, Hoshin Vijai Gupta
Abstract: Simulating ecohydrological processes is essential for understanding complex environmental systems and guiding sustainable management amid accelerating climate change and human pressures. Process-based models provide physical realism but can suffer from structural rigidity, high computational costs, and complex calibration, while machine learning (ML) methods are efficient and flexible yet often lack interpretability and transferability. We propose a unified three-phase framework that integrates process-based models with ML and progressively embeds them into artificial intelligence (AI) through knowledge distillation. Phase I, behavioral distillation, enhances process models via surrogate learning and model simplification to capture key dynamics at lower computational cost. Phase II, structural distillation, reformulates process equations as modular components within a graph neural network (GNN), enabling multiscale representation and seamless integration with ML models. Phase III, cognitive distillation, embeds expert reasoning and adaptive decision-making into intelligent modeling agents using the Eyes-Brain-Hands-Mouth architecture. Demonstrations for the Samish watershed highlight the framework's applicability to ecohydrological modeling, showing that it can reproduce process-based model outputs, improve predictive accuracy, and support scenario-based decision-making. The framework offers a scalable and transferable pathway toward next-generation intelligent ecohydrological modeling systems, with the potential extension to other process-based domains.
Authors: Lucie Fontaine (Mnemosyne), Fr\'ed\'eric Alexandre (Mnemosyne)
Abstract: Complementary Learning Systems theory holds that intelligent agents need two learning systems. Semantic memory is encoded in the neocortex with dense, overlapping representations and acquires structured knowledge. Episodic memory is encoded in the hippocampus with sparse, pattern-separated representations and quickly learns the specifics of individual experiences. Recently, this duality between semantic and episodic memories has been challenged by predictive coding, a biologically plausible neural network model of the neocortex which was shown to have hippocampus-like abilities on auto-associative memory tasks. These results raise the question of the episodic capabilities of the neocortex and their relation to semantic memory. In this paper, we present such a predictive coding model of the neocortex and explore its episodic capabilities. We show that this kind of model can indeed recall the specifics of individual examples but only if it is trained on a small number of examples. The model is overfitted to these exemples and does not generalize well, suggesting that episodic memory can arise from semantic learning. Indeed, a model trained with many more examples loses its recall capabilities. This work suggests that individual examples can be encoded gradually in the neocortex using dense, overlapping representations but only in a limited number, motivating the need for sparse, pattern-separated representations as found in the hippocampus.
Authors: Jiacheng Shi, Haibin Wei, Jiang Wang, Xiaowei Xu, Longzhi Du, Taixu Jiang
Abstract: Logistical demand-supply forecasting that evaluates the alignment between projected supply and anticipated demand, is essential for the efficiency and quality of on-demand food delivery platforms and serves as a key indicator for scheduling decisions. Future order distribution information, which reflects the distribution of orders in on-demand food delivery, is crucial for the performance of logistical demand-supply forecasting. Current studies utilize spatial-temporal analysis methods to model future order distribution information from serious time slices. However, learning future order distribution in online delivery platform is a time-series-insensitive problem with strong randomness. These approaches often struggle to effectively capture this information while remaining efficient. This paper proposes an innovative spatiotemporal learning model that utilizes only two graphs (ongoing and global) to learn future order distribution information, achieving superior performance compared to traditional spatial-temporal long-series methods. The main contributions are as follows: (1) The introduction of ongoing and global graphs in logistical demand-supply pressure forecasting compared to traditional long time series significantly enhances forecasting performance. (2) An innovative graph learning network framework using adaptive future graph learning and innovative cross attention mechanism (ACA-Net) is proposed to extract future order distribution information, effectively learning a robust future graph that substantially improves logistical demand-supply pressure forecasting outcomes. (3) The effectiveness of the proposed method is validated in real-world production environments.
Authors: Yohei Saito, Shun Kimura, Koujin Takeda
Abstract: Bayesian inference is useful to obtain a predictive distribution with a small generalization error. However, since posterior distributions are rarely evaluated analytically, we employ the variational Bayesian inference or sampling method to approximate posterior distributions. When we obtain samples from a posterior distribution, Hamiltonian Monte Carlo (HMC) has been widely used for the continuous variable part and Markov chain Monte Carlo (MCMC) for the discrete variable part. Another sampling method, the bouncy particle sampler (BPS), has been proposed, which combines uniform linear motion and stochastic reflection to perform sampling. BPS was reported to have the advantage of being easier to set simulation parameters than HMC. To accelerate the convergence to a posterior distribution, we introduced parallel tempering (PT) to BPS, and then proposed an algorithm when the inverse temperature exchange rate is set to infinity. We performed numerical simulations and demonstrated its effectiveness for multimodal distribution.
Authors: Aref Einizade, Fragkiskos D. Malliaros, Jhony H. Giraldo
Abstract: Processing data that lies on multiple interacting (product) graphs is increasingly important in practical applications, yet existing methods are mostly restricted to discrete graph filtering. Tensorial partial differential equations on graphs (TPDEGs) offer a principled framework for modeling such multidomain data in a continuous setting. However, current continuous approaches are limited to first-order derivatives, which tend to dampen high-frequency signals and slow down information propagation. This makes these TPDEGs-based approaches less effective for capturing complex, multi-scale, and heterophilic structures. In this paper, we introduce second-order TPDEGs (So-TPDEGs) and propose the first theoretically grounded framework for second-order continuous product graph neural networks. Our approach leverages the separability of cosine kernels in Cartesian product graphs to implement efficient spectral decomposition, while naturally preserving high-frequency information. We provide rigorous theoretical analyses of stability under graph perturbations and over-smoothing behavior regarding spectral properties. Our theoretical results establish a robust foundation for advancing continuous graph learning across multiple practical domains.
Authors: Huan Zhang, Yang Wang, Ya-Hui Jia, Yi Mei
Abstract: Appointment scheduling is a great challenge in healthcare operations management. Appointment rules (AR) provide medical practitioners with a simple yet effective tool to determine patient appointment times. Genetic programming (GP) can be used to evolve ARs. However, directly applying GP to design ARs may lead to rules that are difficult for end-users to interpret and trust. A key reason is that GP is unaware of the dimensional consistency, which ensures that the evolved rules align with users' domain knowledge and intuitive understanding. In this paper, we develop a new dimensionally aware GP algorithm with dimension repair to evolve ARs with dimensional consistency and high performance. A key innovation of our method is the dimension repair procedure, which optimizes the dimensional consistency of an expression tree while minimizing structural changes and ensuring that its output dimension meets the problem's requirements. We formulate the task as a mixed-integer linear programming model that can be efficiently solved using common mathematical programming methods. With the support of the dimension repair procedure, our method can explore a wider range of AR structures by temporarily breaking the dimensional consistency of individuals, and then restoring it without altering their overall structure, thereby identifying individuals with greater potential advantages. We evaluated the proposed method in a comprehensive set of simulated clinics. The experimental results demonstrate that our approach managed to evolve high-quality ARs that significantly outperform not only the manually designed ARs but also existing state-of-the-art dimensionally aware GP methods in terms of both objective values and dimensional consistency. In addition, we analyzed the semantics of the evolved ARs, providing insight into the design of more effective and interpretable ARs.
Authors: Kaiyue Wen, David Hall, Tengyu Ma, Percy Liang
Abstract: AdamW has long been the dominant optimizer in language model pretraining, despite numerous claims that alternative optimizers offer 1.4 to 2x speedup. We posit that two methodological shortcomings have obscured fair comparisons and hindered practical adoption: (i) unequal hyperparameter tuning and (ii) limited or misleading evaluation setups. To address these two issues, we conduct a systematic study of ten deep learning optimizers across four model scales (0.1B-1.2B parameters) and data-to-model ratios (1-8x the Chinchilla optimum). We find that fair and informative comparisons require rigorous hyperparameter tuning and evaluations across a range of model scales and data-to-model ratios, performed at the end of training. First, optimal hyperparameters for one optimizer may be suboptimal for another, making blind hyperparameter transfer unfair. Second, the actual speedup of many proposed optimizers over well-tuned baselines is lower than claimed and decreases with model size to only 1.1x for 1.2B parameter models. Thirdly, comparing intermediate checkpoints before reaching the target training budgets can be misleading, as rankings between two optimizers can flip during training due to learning rate decay. Through our thorough investigation, we find that all the fastest optimizers such as Muon and Soap, use matrices as preconditioners -- multiplying gradients with matrices rather than entry-wise scalars. However, the speedup of matrix-based optimizers is inversely proportional to model scale, decreasing from 1.4x over AdamW for 0.1B parameter models to merely 1.1x for 1.2B parameter models.
Authors: Yi Yin, Guangquan Zhang, Hua Zuo, Jie Lu
Abstract: Machine learning models require datasets for effective training, but directly sharing raw data poses significant privacy risk such as membership inference attacks (MIA). To mitigate the risk, privacy-preserving techniques such as data perturbation, generalization, and synthetic data generation are commonly utilized. However, these methods often degrade data accuracy, specificity, and diversity, limiting the performance of downstream tasks and thus reducing data utility. Therefore, striking an optimal balance between privacy preservation and data utility remains a critical challenge. To address this issue, we introduce a novel bilevel optimization framework for the publication of private datasets, where the upper-level task focuses on data utility and the lower-level task focuses on data privacy. In the upper-level task, a discriminator guides the generation process to ensure that perturbed latent variables are mapped to high-quality samples, maintaining fidelity for downstream tasks. In the lower-level task, our framework employs local extrinsic curvature on the data manifold as a quantitative measure of individual vulnerability to MIA, providing a geometric foundation for targeted privacy protection. By perturbing samples toward low-curvature regions, our method effectively suppresses distinctive feature combinations that are vulnerable to MIA. Through alternating optimization of both objectives, we achieve a synergistic balance between privacy and utility. Extensive experimental evaluations demonstrate that our method not only enhances resistance to MIA in downstream tasks but also surpasses existing methods in terms of sample quality and diversity.
Authors: Haiwen Guan, Troy Arcomano, Ashesh Chattopadhyay, Romit Maulik
Abstract: We introduce LUCIE-3D, a lightweight three-dimensional climate emulator designed to capture the vertical structure of the atmosphere, respond to climate change forcings, and maintain computational efficiency with long-term stability. Building on the original LUCIE-2D framework, LUCIE-3D employs a Spherical Fourier Neural Operator (SFNO) backbone and is trained on 30 years of ERA5 reanalysis data spanning eight vertical {\sigma}-levels. The model incorporates atmospheric CO2 as a forcing variable and optionally integrates prescribed sea surface temperature (SST) to simulate coupled ocean--atmosphere dynamics. Results demonstrate that LUCIE-3D successfully reproduces climatological means, variability, and long-term climate change signals, including surface warming and stratospheric cooling under increasing CO2 concentrations. The model further captures key dynamical processes such as equatorial Kelvin waves, the Madden--Julian Oscillation, and annular modes, while showing credible behavior in the statistics of extreme events. Despite requiring longer training than its 2D predecessor, LUCIE-3D remains efficient, training in under five hours on four GPUs. Its combination of stability, physical consistency, and accessibility makes it a valuable tool for rapid experimentation, ablation studies, and the exploration of coupled climate dynamics, with potential applications extending to paleoclimate research and future Earth system emulation.
Authors: Srinivas Anumasa, Barath Chandran. C, Tingting Chen, Dianbo Liu
Abstract: Diffusion models have emerged as a powerful class of generative models by learning to iteratively reverse the noising process. Their ability to generate high-quality samples has extended beyond high-dimensional image data to other complex domains such as proteins, where data distributions are typically sparse and unevenly spread. Importantly, the sparsity itself is uneven. Empirically, we observed that while a small fraction of samples lie in dense clusters, the majority occupy regions of varying sparsity across the data space. Existing approaches largely ignore this data-dependent variability. In this work, we introduce a Data-Dependent Smoothing Walk-Jump framework that employs kernel density estimation (KDE) as a preprocessing step to estimate the noise scale $\sigma$ for each data point, followed by training a score model with these data-dependent $\sigma$ values. By incorporating local data geometry into the denoising process, our method accounts for the heterogeneous distribution of protein data. Empirical evaluations demonstrate that our approach yields consistent improvements across multiple metrics, highlighting the importance of data-aware sigma prediction for generative modeling in sparse, high-dimensional settings.
Authors: Jian Chen, Jinbao Tian, Yunqi Xu, Zhou Li
Abstract: The automatic classification of occupational accident reports is a critical research area for enhancing workplace safety and enabling large-scale risk analysis. However, the severe class imbalance inherent in these real-world datasets often compromises the performance of analytical models, particularly for rare but severe incident types, hindering the development of reliable automated systems. To address this challenge, we propose ABEX-RAT, a novel and efficient framework that synergizes generative data augmentation with robust adversarial training. Our approach first employs a twostep abstractive-expansive (ABEX) pipeline, which leverages a large language model to distill core incident semantics and then uses a generative model to create diverse, highquality synthetic samples for underrepresented classes. Subsequently, a lightweight classifier is trained on the augmented data using a computationally efficient random adversarial training (RAT) protocol, which stochastically applies perturbations to enhance model generalization and robustness without significant overhead. Experimental results on the public OSHA dataset demonstrate that our method achieves new state-of-the-art performance, reaching a macro-F1 score of 90.32% and significantly outperforming previous SOTA and fine-tuned large model baselines. Our work validates that this synergistic strategy is a highly effective and efficient alternative to brute-force fine-tuning for specialized, imbalanced classification tasks. The code is publicly available at:https://github.com/nxcc-lab/ABEX-RAT.
Authors: Long Shi, Yunshan Ye, Wenjie Wang, Tao Lei, Yu Zhao, Gang Kou, Badong Chen
Abstract: Information theory has inspired numerous advancements in multi-view learning. Most multi-view methods incorporating information-theoretic principles rely an assumption called multi-view redundancy which states that common information between views is necessary and sufficient for down-stream tasks. This assumption emphasizes the importance of common information for prediction, but inherently ignores the potential of unique information in each view that could be predictive to the task. In this paper, we propose a comprehensive information-theoretic multi-view learning framework named CIML, which discards the assumption of multi-view redundancy. Specifically, CIML considers the potential predictive capabilities of both common and unique information based on information theory. First, the common representation learning maximizes Gacs-Korner common information to extract shared features and then compresses this information to learn task-relevant representations based on the Information Bottleneck (IB). For unique representation learning, IB is employed to achieve the most compressed unique representation for each view while simultaneously minimizing the mutual information between unique and common representations, as well as among different unique representations. Importantly, we theoretically prove that the learned joint representation is predictively sufficient for the downstream task. Extensive experimental results have demonstrated the superiority of our model over several state-of-art methods. The code is released on CIML.
Authors: Touayouch Brahim, Fosse Lo\"ic, Damnati G\'eraldine, Lecorv\'e Gw\'enol\'e
Abstract: Multi-task learning (MTL) is often achieved by merging datasets before fine-tuning, but the growing availability of fine-tuned models has led to new approaches such as model merging via task arithmetic. A major challenge in this setting is task interference, which worsens as the number of tasks increases. We propose a method that merges models trained on different tasks into a single model, maintaining strong performance across all tasks. Our approach leverages Jensen-Shannon divergence to guide the merging process without requiring additional labelled data, and automatically balances task importance. Unlike existing methods, our approach remains robust as the number of tasks grows and consistently outperforms prior work.
Authors: Samuel Bo\"it\'e, Eloi Tanguy, Julie Delon, Agn\`es Desolneux, R\'emi Flamary
Abstract: The Expectation-Maximisation (EM) algorithm is a central tool in statistics and machine learning, widely used for latent-variable models such as Gaussian Mixture Models (GMMs). Despite its ubiquity, EM is typically treated as a non-differentiable black box, preventing its integration into modern learning pipelines where end-to-end gradient propagation is essential. In this work, we present and compare several differentiation strategies for EM, from full automatic differentiation to approximate methods, assessing their accuracy and computational efficiency. As a key application, we leverage this differentiable EM in the computation of the Mixture Wasserstein distance $\mathrm{MW}_2$ between GMMs, allowing $\mathrm{MW}_2$ to be used as a differentiable loss in imaging and machine learning tasks. To complement our practical use of $\mathrm{MW}_2$, we contribute a novel stability result which provides theoretical justification for the use of $\mathrm{MW}_2$ with EM, and also introduce a novel unbalanced variant of $\mathrm{MW}_2$. Numerical experiments on barycentre computation, colour and style transfer, image generation, and texture synthesis illustrate the versatility and effectiveness of the proposed approach in different settings.
Authors: Han Chen, Hanchen Wang, Hongmei Chen, Ying Zhang, Lu Qin, Wenjie Zhang
Abstract: The advancement of graph-based malware analysis is critically limited by the absence of large-scale datasets that capture the inherent hierarchical structure of software. Existing methods often oversimplify programs into single level graphs, failing to model the crucial semantic relationship between high-level functional interactions and low-level instruction logic. To bridge this gap, we introduce \dataset, the largest public hierarchical graph dataset for malware analysis, comprising over \textbf{200M} Control Flow Graphs (CFGs) nested within \textbf{595K} Function Call Graphs (FCGs). This two-level representation preserves structural semantics essential for building robust detectors resilient to code obfuscation and malware evolution. We demonstrate HiGraph's utility through a large-scale analysis that reveals distinct structural properties of benign and malicious software, establishing it as a foundational benchmark for the community. The dataset and tools are publicly available at https://higraph.org.
URLs: https://higraph.org.
Authors: Chanakya Varude, Jay Chaudhary, Siddharth Kaushik, Prasanna Chaporkar
Abstract: In multi-armed bandit problems, the typical goal is to identify the arm with the highest reward. This paper explores a threshold-based bandit problem, aiming to select an arm based on its relation to a prescribed threshold \(\tau \). We study variants where the optimal arm is the first above \(\tau\), the \(k^{th}\) arm above or below it, or the closest to it, under a monotonic structure of arm means. We derive asymptotic regret lower bounds, showing dependence only on arms adjacent to \(\tau\). Motivated by applications in communication networks (CQI allocation), clinical dosing, energy management, recommendation systems, and more. We propose algorithms with optimality validated through Monte Carlo simulations. Our work extends classical bandit theory with threshold constraints for efficient decision-making.
Authors: Jintao Cheng, Weibin Li, Jiehao Luo, Xiaoyu Tang, Zhijian He, Jin Wu, Yao Zou, Wei Zhang
Abstract: Visual Place Recognition (VPR) has evolved from handcrafted descriptors to deep learning approaches, yet significant challenges remain. Current approaches, including Vision Foundation Models (VFMs) and Multimodal Large Language Models (MLLMs), enhance semantic understanding but suffer from high computational overhead and limited cross-domain transferability when fine-tuned. To address these limitations, we propose a novel zero-shot framework employing Test-Time Scaling (TTS) that leverages MLLMs' vision-language alignment capabilities through Guidance-based methods for direct similarity scoring. Our approach eliminates two-stage processing by employing structured prompts that generate length-controllable JSON outputs. The TTS framework with Uncertainty-Aware Self-Consistency (UASC) enables real-time adaptation without additional training costs, achieving superior generalization across diverse environments. Experimental results demonstrate significant improvements in cross-domain VPR performance with up to 210$\times$ computational efficiency gains.
Authors: Kim Hammar, Rolf Stadler
Abstract: Identifying a causal model of an IT system is fundamental to many branches of systems engineering and operation. Such a model can be used to predict the effects of control actions, optimize operations, diagnose failures, detect intrusions, etc., which is central to achieving the longstanding goal of automating network and system management tasks. Traditionally, causal models have been designed and maintained by domain experts. This, however, proves increasingly challenging with the growing complexity and dynamism of modern IT systems. In this paper, we present the first principled method for online, data-driven identification of an IT system in the form of a causal model. The method, which we call active causal learning, estimates causal functions that capture the dependencies among system variables in an iterative fashion using Gaussian process regression based on system measurements, which are collected through a rollout-based intervention policy. We prove that this method is optimal in the Bayesian sense and that it produces effective interventions. Experimental validation on a testbed shows that our method enables accurate identification of a causal system model while inducing low interference with system operations.
Authors: Aymene Mohammed Bouayed, Samuel Deslauriers-Gauthier, Adrian Iaccovelli, David Naccache
Abstract: Variational Autoencoders (VAEs) with global priors mirror the training set's class frequency in latent space, underrepresenting tail classes and reducing generative fairness on imbalanced datasets. While $t^3$VAE improves robustness via heavy-tailed Student's t-distribution priors, it still allocates latent volume proportionally to the class frequency.In this work, we address this issue by explicitly enforcing equitable latent space allocation across classes. To this end, we propose Conditional-$t^3$VAE, which defines a per-class \mbox{Student's t} joint prior over latent and output variables, preventing dominance by majority classes. Our model is optimized using a closed-form objective derived from the $\gamma$-power divergence. Moreover, for class-balanced generation, we derive an equal-weight latent mixture of Student's t-distributions. On SVHN-LT, CIFAR100-LT, and CelebA, Conditional-$t^3$VAE consistently achieves lower FID scores than both $t^3$VAE and Gaussian-based VAE baselines, particularly under severe class imbalance. In per-class F1 evaluations, Conditional-$t^3$VAE also outperforms the conditional Gaussian VAE across all highly imbalanced settings. While Gaussian-based models remain competitive under mild imbalance ratio ($\rho \lesssim 3$), our approach substantially improves generative fairness and diversity in more extreme regimes.
Authors: Pieter Smet
Abstract: Uncertainty in optimization is often represented as stochastic parameters in the optimization model. In Predict-Then-Optimize approaches, predictions of a machine learning model are used as values for such parameters, effectively transforming the stochastic optimization problem into a deterministic one. This two-stage framework is built on the assumption that more accurate predictions result in solutions that are closer to the actual optimal solution. However, providing evidence for this assumption in the context of complex, constrained optimization problems is challenging and often overlooked in the literature. Simulating predictions of machine learning models offers a way to (experimentally) analyze how prediction error impacts solution quality without the need to train real models. Complementing an algorithm from the literature for simulating binary classification, we introduce a new algorithm for simulating predictions of multiclass classifiers. We conduct a computational study to evaluate the performance of these algorithms, and show that classifier performance can be simulated with reasonable accuracy, although some variability is observed. Additionally, we apply these algorithms to assess the performance of a Predict-Then-Optimize algorithm for a machine scheduling problem. The experiments demonstrate that the relationship between prediction error and how close solutions are to the actual optimum is non-trivial, highlighting important considerations for the design and evaluation of decision-making systems based on machine learning predictions.
Authors: Afif Boudaoud, Alexandru Calotoiu, Marcin Copik, Torsten Hoefler
Abstract: Automatic differentiation (AD) is a set of techniques that systematically applies the chain rule to compute the gradients of functions without requiring human intervention. Although the fundamentals of this technology were established decades ago, it is experiencing a renaissance as it plays a key role in efficiently computing gradients for backpropagation in machine learning algorithms. AD is also crucial for many applications in scientific computing domains, particularly emerging techniques that integrate machine learning models within scientific simulations and schemes. Existing AD frameworks have four main limitations: limited support of programming languages, requiring code modifications for AD compatibility, limited performance on scientific computing codes, and a naive store-all solution for forward-pass data required for gradient calculations. These limitations force domain scientists to manually compute the gradients for large problems. This work presents DaCe AD, a general, efficient automatic differentiation engine that requires no code modifications. DaCe AD uses a novel ILP-based algorithm to optimize the trade-off between storing and recomputing to achieve maximum performance within a given memory constraint. We showcase the generality of our method by applying it to NPBench, a suite of HPC benchmarks with diverse scientific computing patterns, where we outperform JAX, a Python framework with state-of-the-art general AD capabilities, by more than 92 times on average without requiring any code changes.
Authors: M2 Team, Chengfeng Dou, Chong Liu, Fan Yang, Fei Li, Jiyuan Jia, Mingyang Chen, Qiang Ju, Shuai Wang, Shunya Dang, Tianpeng Li, Xiangrong Zeng, Yijie Zhou, Chenzheng Zhu, Da Pan, Fei Deng, Guangwei Ai, Guosheng Dong, Hongda Zhang, Jinyang Tai, Jixiang Hong, Kai Lu, Linzhuang Sun, Peidong Guo, Qian Ma, Rihui Xin, Shihui Yang, Shusen Zhang, Yichuan Mo, Zheng Liang, Zhishou Zhang, Hengfu Cui, Zuyi Zhu, Xiaochuan Wang
Abstract: As large language models (LLMs) advance in conversational and reasoning capabilities, their practical application in healthcare has become a critical research focus. However, there is a notable gap between the performance of medical LLMs on static benchmarks such as USMLE and their utility in real-world clinical decision-making. This discrepancy arises because traditional exams fail to capture the dynamic, interactive nature of medical consultations. To address this challenge, we introduce a novel dynamic verification framework that moves beyond static answer verifier, establishing a large-scale, high-fidelity interactive reinforcement learning system. Our framework comprises two key components: a Patient Simulator that creates realistic clinical environments using de-identified medical records, and a Clinical Rubrics Generator that dynamically produces multi-dimensional evaluation metrics. Building on this foundation, we develop Baichuan-M2, a 32B-parameter medical augmented reasoning model trained through a multi-stage reinforcement learning strategy with an improved Group Relative Policy Optimization (GRPO) algorithm. Evaluated on HealthBench, Baichuan-M2 outperforms all other open-source models and most advanced closed-source counterparts, achieving a score above 32 on the challenging HealthBench Hard benchmark-previously exceeded only by GPT-5. Our work demonstrates that robust dynamic verifier system is essential for aligning LLM capabilities with practical clinical applications, establishing a new Pareto front in the performance-parameter trade-off for medical AI deployment.
Authors: Binqing Wu, Jianlong Huang, Zongjiang Shang, Ling Chen
Abstract: In multivariate time series (MTS) forecasting, many deep learning based methods have been proposed for modeling dependencies at multiple spatial (inter-variate) or temporal (intra-variate) scales. However, existing methods may fail to model dependencies across multiple spatial-temporal scales (ST-scales, i.e., scales that jointly consider spatial and temporal scopes). In this work, we propose ST-Hyper to model the high-order dependencies across multiple ST-scales through adaptive hypergraph modeling. Specifically, we introduce a Spatial-Temporal Pyramid Modeling (STPM) module to extract features at multiple ST-scales. Furthermore, we introduce an Adaptive Hypergraph Modeling (AHM) module that learns a sparse hypergraph to capture robust high-order dependencies among features. In addition, we interact with these features through tri-phase hypergraph propagation, which can comprehensively capture multi-scale spatial-temporal dynamics. Experimental results on six real-world MTS datasets demonstrate that ST-Hyper achieves the state-of-the-art performance, outperforming the best baselines with an average MAE reduction of 3.8\% and 6.8\% for long-term and short-term forecasting, respectively.
Authors: Yigal Koifman, Erez Koifman, Eran Iceland, Ariel Barel, Alfred M. Bruckstein
Abstract: A simple multi-agent system can be effectively utilized in disaster response applications, such as firefighting. Such a swarm is required to operate in complex environments with limited local sensing and no reliable inter-agent communication or centralized control. These simple robotic agents, also known as Ant Robots, are defined as anonymous agents that possess limited sensing capabilities, lack a shared coordinate system, and do not communicate explicitly with one another. A key challenge for simple swarms lies in maintaining cohesion and avoiding fragmentation despite limited-range sensing. Recent advances in machine learning offer effective solutions to some of the classical decentralized control challenges. We propose VariAntNet, a deep learning-based decentralized control model designed to facilitate agent swarming and collaborative task execution. VariAntNet includes geometric features extraction from unordered, variable-sized local observations. It incorporates a neural network architecture trained with a novel, differentiable, multi-objective, mathematically justified loss function that promotes swarm cohesiveness by utilizing the properties of the visibility graph Laplacian matrix. VariAntNet is demonstrated on the fundamental multi-agent gathering task, where agents with bearing-only and limited-range sensing must gather at some location. VariAntNet significantly outperforms an existing analytical solution, achieving more than double the convergence rate while maintaining high swarm connectivity across varying swarm sizes. While the analytical solution guarantees cohesion, it is often too slow in practice. In time-critical scenarios, such as emergency response operations where lives are at risk, slower analytical methods are impractical and justify the loss of some agents within the swarm. This paper presents and analyzes this trade-off in detail.
Authors: Parikshit Gopalan, Lunjia Hu
Abstract: Calibration is a classical notion from the forecasting literature which aims to address the question: how should predicted probabilities be interpreted? In a world where we only get to observe (discrete) outcomes, how should we evaluate a predictor that hypothesizes (continuous) probabilities over possible outcomes? The study of calibration has seen a surge of recent interest, given the ubiquity of probabilistic predictions in machine learning. This survey describes recent work on the foundational questions of how to define and measure calibration error, and what these measures mean for downstream decision makers who wish to use the predictions to make decisions. A unifying viewpoint that emerges is that of calibration as a form of indistinguishability, between the world hypothesized by the predictor and the real world (governed by nature or the Bayes optimal predictor). In this view, various calibration measures quantify the extent to which the two worlds can be told apart by certain classes of distinguishers or statistical measures.
Authors: Shijie Wang, Li Zhang, Xinyan Liang, Yuhua Qian, Shen Hu
Abstract: Multimodal learning typically utilizes multimodal joint loss to integrate different modalities and enhance model performance. However, this joint learning strategy can induce modality imbalance, where strong modalities overwhelm weaker ones and limit exploitation of individual information from each modality and the inter-modality interaction information.Existing strategies such as dynamic loss weighting, auxiliary objectives and gradient modulation mitigate modality imbalance based on joint loss. These methods remain fundamentally reactive, detecting and correcting imbalance after it arises, while leaving the competitive nature of the joint loss untouched. This limitation drives us to explore a new strategy for multimodal imbalance learning that does not rely on the joint loss, enabling more effective interactions between modalities and better utilization of information from individual modalities and their interactions. In this paper, we introduce Unidirectional Dynamic Interaction (UDI), a novel strategy that abandons the conventional joint loss in favor of a proactive, sequential training scheme. UDI first trains the anchor modality to convergence, then uses its learned representations to guide the other modality via unsupervised loss. Furthermore, the dynamic adjustment of modality interactions allows the model to adapt to the task at hand, ensuring that each modality contributes optimally. By decoupling modality optimization and enabling directed information flow, UDI prevents domination by any single modality and fosters effective cross-modal feature learning. Our experimental results demonstrate that UDI outperforms existing methods in handling modality imbalance, leading to performance improvement in multimodal learning tasks.
Authors: Xi Chen, Yuze Chen, Yuan Zhou
Abstract: We study a class of multi-period online decision-making problems with sequence-based predictions, which may be generated by machine learning models but whose accuracy is not guaranteed. In each period, the decision-maker observes the realized request and must take an irrevocable action that yields a reward or incurs a cost, without knowledge of future arrivals. We introduce a bounded-influence framework, in which past decisions and requests exert only limited impact on the future optimal reward. Within this framework, we propose the AdaSwitch meta-algorithm, which exploits predictions to attain performance close to the offline benchmark when predictions are accurate, while preserving classical competitive-ratio guarantees under highly inaccurate predictions. Our framework and meta-algorithm apply to diverse settings, including lead-time quotation in processing systems, the $k$-server problem, and online allocation of reusable resources. These applications illustrate the flexibility and broad applicability of our approach to learning-augmented online decision-making.
Authors: Aleksi Avela, Pauliina Ilmonen
Abstract: Text classification is the task of automatically assigning text documents correct labels from a predefined set of categories. In real-life (text) classification tasks, observations and misclassification costs are often unevenly distributed between the classes - known as the problem of imbalanced data. Synthetic oversampling is a popular approach to imbalanced classification. The idea is to generate synthetic observations in the minority class to balance the classes in the training set. Many general-purpose oversampling methods can be applied to text data; however, imbalanced text data poses a number of distinctive difficulties that stem from the unique nature of text compared to other domains. One such factor is that when the sample size of text increases, the sample vocabulary (i.e., feature space) is likely to grow as well. We introduce a novel Markov chain based text oversampling method. The transition probabilities are estimated from the minority class but also partly from the majority class, thus allowing the minority feature space to expand in oversampling. We evaluate our approach against prominent oversampling methods and show that our approach is able to produce highly competitive results against the other methods in several real data examples, especially when the imbalance is severe.
Authors: Chih-Yu Lai, Yu-Chien Ning, Duane S. Boning
Abstract: Probabilistic Time Series Forecasting (PTSF) plays a critical role in domains requiring accurate and uncertainty-aware predictions for decision-making. However, existing methods offer suboptimal distribution modeling and suffer from a mismatch between training and evaluation metrics. Surprisingly, we found that augmenting a strong point estimator with a zero-mean Gaussian, whose standard deviation matches its training error, can yield state-of-the-art performance in PTSF. In this work, we propose RDIT, a plug-and-play framework that combines point estimation and residual-based conditional diffusion with a bidirectional Mamba network. We theoretically prove that the Continuous Ranked Probability Score (CRPS) can be minimized by adjusting to an optimal standard deviation and then derive algorithms to achieve distribution matching. Evaluations on eight multivariate datasets across varied forecasting horizons demonstrate that RDIT achieves lower CRPS, rapid inference, and improved coverage compared to strong baselines.
Authors: Caterina Fuster-Barcelo, Gonzalo R. Rios-Munoz, Arrate Munoz-Barrutia
Abstract: This study examines the integration of digital collaborative tools and structured peer evaluation in the Machine Learning for Health master's program, through the redesign of a Biomedical Image Processing course over two academic years. The pedagogical framework combines real-time programming with Google Colab, experiment tracking and reporting via Weights & Biases, and rubric-guided peer assessment to foster student engagement, transparency, and fair evaluation. Compared to a pre-intervention cohort, the two implementation years showed increased grade dispersion and higher entropy in final project scores, suggesting improved differentiation and fairness in assessment. The survey results further indicate greater student engagement with the subject and their own learning process. These findings highlight the potential of integrating tool-supported collaboration and structured evaluation mechanisms to enhance both learning outcomes and equity in STEM education.
Authors: Dongseok Kim, Wonjun Jeong, Gisung Oh
Abstract: The success of Federated Learning depends on the actions that participants take out of sight. We model Federated Learning not as a mere optimization task but as a strategic system entangled with rules and incentives. From this perspective, we present an analytical framework that makes it possible to clearly identify where behaviors that genuinely improve performance diverge from those that merely target metrics. We introduce two indices that respectively quantify behavioral incentives and collective performance loss, and we use them as the basis for consistently interpreting the impact of operational choices such as rule design, the level of information disclosure, evaluation methods, and aggregator switching. We further summarize thresholds, auto-switch rules, and early warning signals into a checklist that can be applied directly in practice, and we provide both a practical algorithm for allocating limited audit resources and a performance guarantee. Simulations conducted across diverse environments consistently validate the patterns predicted by our framework, and we release all procedures for full reproducibility. While our approach operates most strongly under several assumptions, combining periodic recalibration, randomization, and connectivity-based alarms enables robust application under the variability of real-world operations. We present both design principles and operational guidelines that lower the incentives for metric gaming while sustaining and expanding stable cooperation.
Authors: Haji Gul, Abdul Ghani Naim, Ajaz Ahmad Bhat
Abstract: Accurate estimation of dataset complexity is crucial for evaluating and comparing link prediction models for knowledge graphs (KGs). The Cumulative Spectral Gradient (CSG) metric derived from probabilistic divergence between classes within a spectral clustering framework was proposed as a dataset complexity measure that (1) naturally scales with the number of classes and (2) correlates strongly with downstream classification performance. In this work, we rigorously assess CSG behavior on standard knowledge graph link prediction benchmarks a multi class tail prediction task, using two key parameters governing its computation, M, the number of Monte Carlo sampled points per class, and K, the number of nearest neighbors in the embedding space. Contrary to the original claims, we find that (1) CSG is highly sensitive to the choice of K and therefore does not inherently scale with the number of target classes, and (2) CSG values exhibit weak or no correlation with established performance metrics such as mean reciprocal rank (MRR). Through experiments on FB15k 237, WN18RR, and other standard datasets, we demonstrate that CSG purported stability and generalization predictive power break down in link prediction settings. Our results highlight the need for more robust, classifier agnostic complexity measures in KG link prediction evaluation.
Authors: Maximilian Weimar, Lukas M. Rachbauer, Ilya Starshynov, Daniele Faccio, Linara Adilova, Dorian Bouchet, Stefan Rotter
Abstract: The estimation of continuous parameters from measured data plays a central role in many fields of physics. A key tool in understanding and improving such estimation processes is the concept of Fisher information, which quantifies how information about unknown parameters propagates through a physical system and determines the ultimate limits of precision. With Artificial Neural Networks (ANNs) gradually becoming an integral part of many measurement systems, it is essential to understand how they process and transmit parameter-relevant information internally. Here, we present a method to monitor the flow of Fisher information through an ANN performing a parameter estimation task, tracking it from the input to the output layer. We show that optimal estimation performance corresponds to the maximal transmission of Fisher information, and that training beyond this point results in information loss due to overfitting. This provides a model-free stopping criterion for network training-eliminating the need for a separate validation dataset. To demonstrate the practical relevance of our approach, we apply it to a network trained on data from an imaging experiment, highlighting its effectiveness in a realistic physical setting.
Authors: Spyros Angelopoulos, Loris Marchal, Adrien Obrecht, Bertrand Simon
Abstract: Large language models (LLMs) have demonstrated remarkable capabilities across a variety of tasks. One of the main challenges towards the successful deployment of LLMs is memory management, since they typically involve billions of parameters. To this end, architectures based on Mixture-of-Experts have been proposed, which aim to reduce the size of the parameters that are activated when producing a token. This raises the equally critical issue of efficiently managing the limited cache of the system, in that frequently used experts should be stored in the fast cache rather than in the slower secondary memory. In this work, we introduce and study a new paging problem that models expert management optimization. Our formulation captures both the layered architecture of LLMs and the requirement that experts are cached efficiently. We first present lower bounds on the competitive ratio of both deterministic and randomized algorithms, which show that under mild assumptions, LRU-like policies have good theoretical competitive performance. We then propose a layer-based extension of LRU that is tailored to the problem at hand. Extensive simulations on both synthetic datasets and actual traces of MoE usage show that our algorithm outperforms policies for the classic paging problem, such as the standard LRU.
Authors: Yilang Zhang, Bingcong Li, Georgios B. Giannakis
Abstract: Utilizing task-invariant knowledge acquired from related tasks as prior information, meta-learning offers a principled approach to learning a new task with limited data records. Sample-efficient adaptation of this prior information is a major challenge facing meta-learning, and plays an important role because it facilitates training the sought task-specific model with just a few optimization steps. Past works deal with this challenge through preconditioning that speeds up convergence of the per-task training. Though effective in representing locally quadratic loss curvatures, simple linear preconditioning can be hardly potent with complex loss geometries. Instead of relying on a quadratic distance metric, the present contribution copes with complex loss metrics by learning a versatile distance-generating function, which induces a nonlinear mirror map to effectively capture and optimize a wide range of loss geometries. With suitable parameterization, this generating function is effected by an expressive neural network that is provably a valid distance. Analytical results establish convergence of not only the proposed method, but also all meta-learning approaches based on preconditioning. To attain gradient norm less than $\epsilon$, the convergence rate of $\mathcal{O}(\epsilon^{-2})$ is on par with standard gradient-based meta-learning methods. Numerical tests on few-shot learning datasets demonstrate the superior empirical performance of the novel algorithm, as well as its rapid per-task convergence, which markedly reduces the number of adaptation steps, hence also accommodating large-scale meta-learning models.
Authors: Bingcong Li, Yilang Zhang, Georgios B. Giannakis
Abstract: Sharpness-aware minimization (SAM) has well-documented merits in enhancing generalization of deep neural network models. Accounting for sharpness in the loss function geometry, where neighborhoods of `flat minima' heighten generalization ability, SAM seeks `flat valleys' by minimizing the maximum loss provoked by an adversarial perturbation within the neighborhood. Although critical to account for sharpness of the loss function, in practice SAM suffers from `over-friendly adversaries,' which can curtail the outmost level of generalization. To avoid such `friendliness,' the present contribution fosters stabilization of adversaries through variance suppression (VASSO). VASSO offers a general approach to provably stabilize adversaries. In particular, when integrating VASSO with SAM, improved generalizability is numerically validated on extensive vision and language tasks. Once applied on top of a computationally efficient SAM variant, VASSO offers a desirable generalization-computation tradeoff.
Authors: Borja Ocejo, Ruofan Wang, Ke Liu, Rohit K. Patra, Haotian Shen, David Liu, Yiwen Yuan, Gokulraj Mohanasundaram, Fedor Borisyuk, Prakruthi Prabhakar
Abstract: Notifications are an important communication channel for delivering timely and relevant information. Optimizing their delivery involves addressing complex sequential decision-making challenges under constraints such as message utility and user fatigue. Offline reinforcement learning (RL) methods, such as Conservative Q-Learning (CQL), have been applied to this problem but face practical challenges at scale, including instability, sensitivity to distribution shifts, limited reproducibility, and difficulties with explainability in high-dimensional recommendation settings. We present a Decision Transformer (DT) based framework that reframes policy learning as return-conditioned supervised learning, improving robustness, scalability, and modeling flexibility. Our contributions include a real-world comparison with CQL, a multi-reward design suitable for non-episodic tasks, a quantile regression approach to return-to-go conditioning, and a production-ready system with circular buffer-based sequence processing for near-real-time inference. Extensive offline and online experiments in a deployed notification system show that our approach improves notification utility and overall session activity while minimizing user fatigue. Compared to a multi-objective CQL-based agent, the DT-based approach achieved a +0.72% increase in sessions for notification decision-making at LinkedIn by making notification recommendation more relevant.
Authors: Syed Zain Abbas, Ehimare Okoyomon
Abstract: To address the lack of public power system data for machine learning research in energy networks, we investigate the use of variational graph autoencoders (VGAEs) for synthetic distribution grid generation. Using two open-source datasets, ENGAGE and DINGO, we evaluate four decoder variants and compare generated networks against the original grids using structural and spectral metrics. Results indicate that simple decoders fail to capture realistic topologies, while GCN-based approaches achieve strong fidelity on ENGAGE but struggle on the more complex DINGO dataset, producing artifacts such as disconnected components and repeated motifs. These findings highlight both the promise and limitations of VGAEs for grid synthesis, underscoring the need for more expressive generative models and robust evaluation. We release our models and analysis as open source to support benchmarking and accelerate progress in ML-driven power system research.
Authors: Zhenghai Xue, Longtao Zheng, Qian Liu, Yingru Li, Xiaosen Zheng, Zejun Ma, Bo An
Abstract: Large Language Models (LLMs) can significantly improve their reasoning capabilities by interacting with external tools, a paradigm known as Tool-Integrated Reasoning (TIR). However, extending TIR to multi-turn scenarios using Reinforcement Learning (RL) is often hindered by training instability and performance collapse. We identify that such instability is primarily caused by a distributional drift from external tool feedback, leading to the generation of low-probability tokens. This issue compounds over successive turns, causing catastrophic gradient norm explosions that derail the training process. To address this challenge, we introduce SimpleTIR , a plug-and-play algorithm that stabilizes multi-turn TIR training. Its core strategy is to identify and filter out trajectories containing void turns, i.e., turns that yield neither a code block nor a final answer. By removing these problematic trajectories from the policy update, SimpleTIR effectively blocks the harmful, high-magnitude gradients, thus stabilizing the learning dynamics. Extensive experiments show that SimpleTIR achieves state-of-the-art performance on challenging math reasoning benchmarks, notably elevating the AIME24 score from a text-only baseline of 22.1 to 50.5 when starting from the Qwen2.5-7B base model. Furthermore, by avoiding the constraints of supervised fine-tuning, SimpleTIR encourages the model to discover diverse and sophisticated reasoning patterns, such as self-correction and cross-validation.
Authors: Aishwarya Sarkar, Autrin Hakimi, Xiaoqiong Chen, Hai Huang, Chaoqun Lu, Ibrahim Demir, Ali Jannesari
Abstract: Accurate flood forecasting remains a challenge for water-resource management, as it demands modeling of local, time-varying runoff drivers (e.g., rainfall-induced peaks, baseflow trends) and complex spatial interactions across a river network. Traditional data-driven approaches, such as convolutional networks and sequence-based models, ignore topological information about the region. Graph Neural Networks (GNNs) propagate information exactly along the river network, which is ideal for learning hydrological routing. However, state-of-the-art GNN-based flood prediction models collapse pixels to coarse catchment polygons as the cost of training explodes with graph size and higher resolution. Furthermore, most existing methods treat spatial and temporal dependencies separately, either applying GNNs solely on spatial graphs or transformers purely on temporal sequences, thus failing to simultaneously capture spatiotemporal interactions critical for accurate flood prediction. We introduce a heterogenous basin graph where every land and river pixel is a node connected by physical hydrological flow directions and inter-catchment relationships. We propose HydroGAT, a spatiotemporal network that adaptively learns local temporal importance and the most influential upstream locations. Evaluated in two Midwestern US basins and across five baseline architectures, our model achieves higher NSE (up to 0.97), improved KGE (up to 0.96), and low bias (PBIAS within $\pm$5%) in hourly discharge prediction, while offering interpretable attention maps that reveal sparse, structured intercatchment influences. To support high-resolution basin-scale training, we develop a distributed data-parallel pipeline that scales efficiently up to 64 NVIDIA A100 GPUs on NERSC Perlmutter supercomputer, demonstrating up to 15x speedup across machines. Our code is available at https://github.com/swapp-lab/HydroGAT.
Authors: Charles Pert, Dalal Alrajeh, Alessandra Russo
Abstract: B\"uchi automata (BAs) recognize $\omega$-regular languages defined by formal specifications like linear temporal logic (LTL) and are commonly used in the verification of reactive systems. However, BAs face scalability challenges when handling and manipulating complex system behaviors. As neural networks are increasingly used to address these scalability challenges in areas like model checking, investigating their ability to generalize beyond training data becomes necessary. This work presents the first study investigating whether recurrent neural networks (RNNs) can generalize to $\omega$-regular languages derived from LTL formulas. We train RNNs on ultimately periodic $\omega$-word sequences to replicate target BA behavior and evaluate how well they generalize to out-of-distribution sequences. Through experiments on LTL formulas corresponding to deterministic automata of varying structural complexity, from 3 to over 100 states, we show that RNNs achieve high accuracy on their target $\omega$-regular languages when evaluated on sequences up to $8 \times$ longer than training examples, with $92.6\%$ of tasks achieving perfect or near-perfect generalization. These results establish the feasibility of neural approaches for learning complex $\omega$-regular languages, suggesting their potential as components in neurosymbolic verification methods.
Authors: Krishna Teja Chitty-Venkata, Jie Ye, Murali Emani
Abstract: Large Language and Vision Models using a Mixture-of-Experts (MoE) architecture pose significant challenges for deployment due to their computational and memory demands. Mixed Precision Quantization assigns different precisions to different layers of an LLM/VLM based on layer sensitivity and importance within the model. In this work, we propose a Post Training Quantization algorithm, MoPEQ, that assigns optimal bit width to each expert. Our method balances accuracy and model size by analyzing each expert's sensitivity using Hessian trace approximation instead of relying on the activation frequency of the expert. This per-expert granularity approach clusters similar experts to maintain model performance while reducing memory requirements. The experimental results on VLMEvalKit benchmark datasets using State-of-the-art VLMs Deepseek-VL2 -tiny, -small, -base, and MolmoE models demonstrate that our mixed precision quantized MoEs achieve competitive accuracy with substantial improvements in memory footprint compared to uniform-precision baseline methods. We perform a comprehensive study to analyze the impact of expert activation frequency and sensitivity using Hessian trace approximation at both layer-wise and model-wide expert precision allocation of 2, 3, and 4 bits to provide a thorough understanding of mixed precision quantization of VLM-MoEs.
Authors: Wenlong Mou
Abstract: We study the problem of learning the optimal control policy for fine-tuning a given diffusion process, using general value function approximation. We develop a new class of algorithms by solving a variational inequality problem based on the Hamilton-Jacobi-Bellman (HJB) equations. We prove sharp statistical rates for the learned value function and control policy, depending on the complexity and approximation errors of the function class. In contrast to generic reinforcement learning problems, our approach shows that fine-tuning can be achieved via supervised regression, with faster statistical rate guarantees.
Authors: Rui Zhang, Wenlong Mou
Abstract: In federated learning, communication cost can be significantly reduced by transmitting the information over the air through physical channels. In this paper, we propose a new class of adaptive federated stochastic gradient descent (SGD) algorithms that can be implemented over physical channels, taking into account both channel noise and hardware constraints. We establish theoretical guarantees for the proposed algorithms, demonstrating convergence rates that are adaptive to the stochastic gradient noise level. We also demonstrate the practical effectiveness of our algorithms through simulation studies with deep learning models.
Authors: Rio Akizuki, Yuya Kudo, Nozomu Yoshinari, Yoichi Hirose, Toshiyuki Nishimoto, Kento Uchida, Shinichi Shirakawa
Abstract: Model merging techniques aim to integrate the abilities of multiple models into a single model. Most model merging techniques have hyperparameters, and their setting affects the performance of the merged model. Because several existing works show that tuning hyperparameters in model merging can enhance the merging outcome, developing hyperparameter optimization algorithms for model merging is a promising direction. However, its optimization process is computationally expensive, particularly in merging LLMs. In this work, we develop surrogate benchmarks for optimization of the merging hyperparameters to realize algorithm development and performance comparison at low cost. We define two search spaces and collect data samples to construct surrogate models to predict the performance of a merged model from a hyperparameter. We demonstrate that our benchmarks can predict the performance of merged models well and simulate optimization algorithm behaviors.
Authors: Monte Hoover, Vatsal Baherwani, Neel Jain, Khalid Saifullah, Joseph Vincent, Chirag Jain, Melissa Kazemi Rad, C. Bayan Bruss, Ashwinee Panda, Tom Goldstein
Abstract: Guardian models are used to supervise and moderate the outputs of user-facing chatbots, enforcing guardrails and detecting bad behaviors. Standard guardian models like LlamaGuard detect predefined, static categories of harms. We propose dynamic guardian models that evaluate text based on user-defined policies, making them useful for different application domains that are not addressed by standard guardian models. Our dynamic guardian models can be used for fast detection of policy violations or with chain-of-thought reasoning that articulates and justifies the model outputs. Our dynamic guardian models match static models in detection accuracy for static harm categories while identifying violations of free-form policies with accuracy comparable to frontier reasoning models in a fraction of the time.
Authors: Eric J. Michaud, Liv Gorton, Tom McGrath
Abstract: Sparse autoencoders (SAEs) model the activations of a neural network as linear combinations of sparsely occurring directions of variation (latents). The ability of SAEs to reconstruct activations follows scaling laws w.r.t. the number of latents. In this work, we adapt a capacity-allocation model from the neural scaling literature (Brill, 2024) to understand SAE scaling, and in particular, to understand how "feature manifolds" (multi-dimensional features) influence scaling behavior. Consistent with prior work, the model recovers distinct scaling regimes. Notably, in one regime, feature manifolds have the pathological effect of causing SAEs to learn far fewer features in data than there are latents in the SAE. We provide some preliminary discussion on whether or not SAEs are in this pathological regime in the wild.
Authors: Shuchang Liu, Paul A. O'Gorman
Abstract: Robust generalization under climate change remains a major challenge for machine learning applications in climate science. Most existing approaches struggle to extrapolate beyond the climate they were trained on, leading to a strong dependence on training data from model simulations of warm climates. Use of climate-invariant inputs improves generalization but requires challenging manual feature engineering. Here, we present CERA (Climate-invariant Encoding through Representation Alignment), a machine learning framework consisting of an autoencoder with explicit latent-space alignment, followed by a predictor for downstream process estimation. We test CERA on the problem of parameterizing moist-physics processes. Without training on labeled data from a +4K climate, CERA leverages labeled control-climate data and unlabeled warmer-climate inputs to improve generalization to the warmer climate, outperforming both raw-input and physically informed baselines in predicting key moisture and energy tendencies. It captures not only the vertical and meridional structures of the moisture tendencies, but also shifts in the intensity distribution of precipitation including extremes. Ablation experiments show that latent alignment improves both accuracy and the robustness across random seeds used in training. While some reduced skill remains in the boundary layer, the framework offers a data-driven alternative to manual feature engineering of climate invariant inputs. Beyond parameterizations used in hybrid ML-physics systems, the approach holds promise for other climate applications such as statistical downscaling.
Authors: Chun Hin Siu, Hossein Miri
Abstract: Sleep apnea, a prevalent sleep disorder, involves repeated episodes of breathing interruptions during sleep, leading to various health complications, including cognitive impairments, high blood pressure, heart disease, stroke, and even death. One of the main challenges in diagnosing and treating sleep apnea is identifying individuals at risk. The current gold standard for diagnosis, Polysomnography (PSG), is costly, labor intensive, and inconvenient, often resulting in poor quality sleep data. This paper presents a novel approach to the detection of sleep apnea using a Convolutional Neural Network (CNN) trained on single channel EEG data. The proposed CNN achieved an accuracy of 85.1% and a Matthews Correlation Coefficient (MCC) of 0.22, demonstrating a significant potential for home based applications by addressing the limitations of PSG in automated sleep apnea detection. Key contributions of this work also include the development of a comprehensive preprocessing pipeline with an Infinite Impulse Response (IIR) Butterworth filter, a dataset construction method providing broader temporal context, and the application of SMOTETomek to address class imbalance. This research underscores the feasibility of transitioning from traditional laboratory based diagnostics to more accessible, automated home based solutions, improving patient outcomes and broadening the accessibility of sleep disorder diagnostics.
Authors: Italo Epicoco, Davide Donno, Gabriele Accarino, Simone Norberti, Alessandro Grandi, Michele Giurato, Ronan McAdam, Donatello Elia, Emanuela Clementi, Paola Nassisi, Enrico Scoccimarro, Giovanni Coppini, Silvio Gualdi, Giovanni Aloisio, Simona Masina, Giulio Boccaletti, Antonio Navarra
Abstract: Accurate ocean forecasting is essential for supporting a wide range of marine applications. Recent advances in artificial intelligence have highlighted the potential of data-driven models to outperform traditional numerical approaches, particularly in atmospheric weather forecasting. However, extending these methods to ocean systems remains challenging due to their inherently slower dynamics and complex boundary conditions. In this work, we present MedFormer, a fully data-driven deep learning model specifically designed for medium-range ocean forecasting in the Mediterranean Sea. MedFormer is based on a U-Net architecture augmented with 3D attention mechanisms and operates at a high horizontal resolution of 1/24{\deg}. The model is trained on 20 years of daily ocean reanalysis data and fine-tuned with high-resolution operational analyses. It generates 9-day forecasts using an autoregressive strategy. The model leverages both historical ocean states and atmospheric forcings, making it well-suited for operational use. We benchmark MedFormer against the state-of-the-art Mediterranean Forecasting System (MedFS), developed at Euro-Mediterranean Center on Climate Change (CMCC), using both analysis data and independent observations. The forecast skills, evaluated with the Root Mean Squared Difference and the Anomaly Correlation Coefficient, indicate that MedFormer consistently outperforms MedFS across key 3D ocean variables. These findings underscore the potential of data-driven approaches like MedFormer to complement, or even surpass, traditional numerical ocean forecasting systems in both accuracy and computational efficiency.
Authors: Marcin Kolakowski
Abstract: The paper presents an approach in which inertial signals measured with a wrist-worn sensor (e.g., a smartwatch) are translated into those that would be recorded using a shoe-mounted sensor, enabling the use of state-of-the-art gait analysis methods. In the study, the signals are translated using Conditional Generative Adversarial Networks (GANs). Two different GAN versions are used for experimental verification: traditional ones trained using binary cross-entropy loss and Wasserstein GANs (WGANs). For the generator, two architectures, a convolutional autoencoder, and a convolutional U-Net, are tested. The experiment results have shown that the proposed approach allows for an accurate translation, enabling the use of wrist sensor inertial signals for efficient, every-day gait analysis.
Authors: Oph\'elia Miralles, Daniele Nerini, Jonas Bhend, Baudouin Raoult, Christoph Spirig
Abstract: Recent advances in neural weather forecasting have shown significant potential for accurate short-term forecasts. However, adapting such gridded approaches to smaller, topographically complex regions like Switzerland introduces computational challenges, especially when aiming for high spatial (1 km) and temporal (10 minutes) resolution. This paper presents a Graph Neural Network (GNN)-based approach for high-resolution nowcasting in Switzerland using the Anemoi framework and observational inputs. The proposed model combines surface observations with selected past and future numerical weather prediction (NWP) states, enabling an observation-guided interpolation strategy that enhances short-term accuracy while preserving physical consistency. We evaluate the method on multiple surface variables and compare it against operational high-resolution NWP (ICON) and nowcasting (INCA) baselines. The results show that the GNN model consistently outperforms traditional approaches in lead times up to 12 hours, especially for wind and precipitation. A comprehensive verification procedure, including spatial skill scores, event-based evaluation, and blind tests with professional forecasters, demonstrates the operational relevance of the approach for mountainous domains.
Authors: James Amarel, Nicolas Hengartner, Robyn Miller, Kamaljeet Singh, Siddharth Mansingh, Arvind Mohan, Benjamin Migliori, Emily Casleton, Alexei Skurikhin, Earl Lawrence, Gerd J. Kunde
Abstract: Foundation models trained as autoregressive PDE surrogates hold significant promise for accelerating scientific discovery through their capacity to both extrapolate beyond training regimes and efficiently adapt to downstream tasks despite a paucity of examples for fine-tuning. However, reliably achieving genuine generalization - a necessary capability for producing novel scientific insights and robustly performing during deployment - remains a critical challenge. Establishing whether or not these requirements are met demands evaluation metrics capable of clearly distinguishing genuine model generalization from mere memorization. We apply the influence function formalism to systematically characterize how autoregressive PDE surrogates assimilate and propagate information derived from diverse physical scenarios, revealing fundamental limitations of standard models and training routines in addition to providing actionable insights regarding the design of improved surrogates.
Authors: Tai Vu
Abstract: Speech emotion recognition (SER) has been a challenging problem in spoken language processing research, because it is unclear how human emotions are connected to various components of sounds such as pitch, loudness, and energy. This paper aims to tackle this problem using machine learning. Particularly, we built several machine learning models using SVMs, LTSMs, and CNNs to classify emotions in human speeches. In addition, by leveraging transfer learning and data augmentation, we efficiently trained our models to attain decent performances on a relatively small dataset. Our best model was a ResNet34 network, which achieved an accuracy of $66.7\%$ and an F1 score of $0.631$.
Authors: Justin Jung
Abstract: Generating realistic sparse multi-category 3D voxel structures is difficult due to the cubic memory scaling of voxel structures and moreover the significant class imbalance caused by sparsity. We introduce Scaffold Diffusion, a generative model designed for sparse multi-category 3D voxel structures. By treating voxels as tokens, Scaffold Diffusion uses a discrete diffusion language model to generate 3D voxel structures. We show that discrete diffusion language models can be extended beyond inherently sequential domains such as text to generate spatially coherent 3D structures. We evaluate on Minecraft house structures from the 3D-Craft dataset and demonstrate that, unlike prior baselines and an auto-regressive formulation, Scaffold Diffusion produces realistic and coherent structures even when trained on data with over 98% sparsity. We provide an interactive viewer where readers can visualize generated samples and the generation process. Our results highlight discrete diffusion as a promising framework for 3D sparse voxel generative modeling.
Authors: C\'edric Colas, Tracey Mills, Ben Prystawski, Michael Henry Tessler, Noah Goodman, Jacob Andreas, Joshua Tenenbaum
Abstract: The ability to combine linguistic guidance from others with direct experience is central to human development, enabling safe and rapid learning in new environments. How do people integrate these two sources of knowledge, and how might AI systems? We present a computational framework that models social learning as joint probabilistic inference over structured, executable world models given sensorimotor and linguistic data. We make this possible by turning a pretrained language model into a probabilistic model of how humans share advice conditioned on their beliefs, allowing our agents both to generate advice for others and to interpret linguistic input as evidence during Bayesian inference. Using behavioral experiments and simulations across 10 video games, we show how linguistic guidance can shape exploration and accelerate learning by reducing risky interactions and speeding up key discoveries in both humans and models. We further explore how knowledge can accumulate across generations through iterated learning experiments and demonstrate successful knowledge transfer between humans and models -- revealing how structured, language-compatible representations might enable human-machine collaborative learning.
Authors: Tatiana Likhomanenko, Luke Carlson, Richard He Bai, Zijin Gu, Han Tran, Zakaria Aldeneh, Yizhe Zhang, Ruixiang Zhang, Huangjie Zheng, Navdeep Jaitly
Abstract: The emergence of large language models (LLMs) has transformed spoken dialog systems, yet the optimal architecture for real-time on-device voice agents remains an open question. While end-to-end approaches promise theoretical advantages, cascaded systems (CSs) continue to outperform them in language understanding tasks, despite being constrained by sequential processing latency. In this work, we introduce ChipChat, a novel low-latency CS that overcomes traditional bottlenecks through architectural innovations and streaming optimizations. Our system integrates streaming (a) conversational speech recognition with mixture-of-experts, (b) state-action augmented LLM, (c) text-to-speech synthesis, (d) neural vocoder, and (e) speaker modeling. Implemented using MLX, ChipChat achieves sub-second response latency on a Mac Studio without dedicated GPUs, while preserving user privacy through complete on-device processing. Our work shows that strategically redesigned CSs can overcome their historical latency limitations, offering a promising path forward for practical voice-based AI agents.
Authors: Andrew G. A. Correa, Ana C. H de Matos
Abstract: Reasoning models often outperform smaller models but at 3--5$\times$ higher cost and added latency. We present entropy-guided refinement: a lightweight, test-time loop that uses token-level uncertainty to trigger a single, targeted refinement pass. We extract logprobs, compute Shannon entropy on top-$k$ alternatives, and apply a simple OR-logic trigger over perplexity, maximum token entropy, and low-confidence-token count. Unlike approaches that use entropy only for measurement or decoding, we pass a compact uncertainty report (tokens, confidences, alternatives, context) back to the model to guide corrective edits. On representative technical queries across reasoning, mathematics, and code generation tasks, a small model with our loop approaches 95\% of a reference reasoning model's quality at approximately one-third of the cost. The method achieves selective refinement on ~31\% of responses while improving accuracy by 16 percentage points over single-pass inference. We demonstrate that this uncertainty-aware loop provides an effective middle ground between single-pass inference and expensive reasoning chains, making it practical for production deployments where both quality and cost matter.
Authors: Ting-Chun Liu, Ching-Yu Hsu, Kuan-Yi Lee, Chi-An Fu, Hung-yi Lee
Abstract: Prompt injection attacks pose a significant challenge to the safe deployment of Large Language Models (LLMs) in real-world applications. While prompt-based detection offers a lightweight and interpretable defense strategy, its effectiveness has been hindered by the need for manual prompt engineering. To address this issue, we propose AEGIS , an Automated co-Evolutionary framework for Guarding prompt Injections Schema. Both attack and defense prompts are iteratively optimized against each other using a gradient-like natural language prompt optimization technique. This framework enables both attackers and defenders to autonomously evolve via a Textual Gradient Optimization (TGO) module, leveraging feedback from an LLM-guided evaluation loop. We evaluate our system on a real-world assignment grading dataset of prompt injection attacks and demonstrate that our method consistently outperforms existing baselines, achieving superior robustness in both attack success and detection. Specifically, the attack success rate (ASR) reaches 1.0, representing an improvement of 0.26 over the baseline. For detection, the true positive rate (TPR) improves by 0.23 compared to the previous best work, reaching 0.84, and the true negative rate (TNR) remains comparable at 0.89. Ablation studies confirm the importance of co-evolution, gradient buffering, and multi-objective optimization. We also confirm that this framework is effective in different LLMs. Our results highlight the promise of adversarial training as a scalable and effective approach for guarding prompt injections.
Authors: Yi Cao, Paulette Clancy
Abstract: Machine-learned force fields (MLFFs), particularly pre-trained foundation models, promise to bring ab initio-level accuracy to the length and time scales of molecular dynamics. Yet this shift raises a central question: is it better to build a specialist model from scratch or adapt a generalist foundation model for a specific system? The trade-offs in data efficiency, predictive accuracy, and risks of out-of-distribution (OOD) failure remain unclear. Here, we present a benchmarking framework that contrasts bespoke (from scratch) and fine-tuned foundation models in a test case of a technologically relevant 2D material, Cr-intercalated Sb2Te3, using the MACE architecture. Our framework employs migration pathways, evaluated through nudged elastic band (NEB) trajectories, as a diagnostic probe that tests both interpolation and extrapolation. We assess accuracy for equilibrium, kinetic (atomic migration), and mechanical (interlayer sliding) tasks. While all models capture equilibrium structures, predictions for non-equilibrium processes diverge. Task-specific fine-tuning substantially improves kinetic accuracy compared with both from-scratch and zero-shot models, but can degrade learned representations of long-range physics. Analysis of internal representations shows that training paradigms yield distinct, non-overlapping latent encodings of system physics. This work offers a practical guide for MLFF development, highlights migration-based probes as efficient diagnostics, and suggests pathways toward uncertainty-aware active learning strategies.
Authors: Abdullah Abdelfattah, Mahmoud I. Khalil, Hazem Abbas
Abstract: Assessing spoken language is challenging, and quantifying pronunciation metrics for machine learning models is even harder. However, for the Holy Quran, this task is simplified by the rigorous recitation rules (tajweed) established by Muslim scholars, enabling highly effective assessment. Despite this advantage, the scarcity of high-quality annotated data remains a significant barrier. In this work, we bridge these gaps by introducing: (1) A 98% automated pipeline to produce high-quality Quranic datasets -- encompassing: Collection of recitations from expert reciters, Segmentation at pause points (waqf) using our fine-tuned wav2vec2-BERT model, Transcription of segments, Transcript verification via our novel Tasmeea algorithm; (2) 850+ hours of audio (~300K annotated utterances); (3) A novel ASR-based approach for pronunciation error detection, utilizing our custom Quran Phonetic Script (QPS) to encode Tajweed rules (unlike the IPA standard for Modern Standard Arabic). QPS uses a two-level script: (Phoneme level): Encodes Arabic letters with short/long vowels. (Sifa level): Encodes articulation characteristics of every phoneme. We further include comprehensive modeling with our novel multi-level CTC Model which achieved 0.16% average Phoneme Error Rate (PER) on the testset. We release all code, data, and models as open-source: https://obadx.github.io/prepare-quran-dataset/
Authors: Theodor Stoecker, Samed Bayer, Ingo Weber
Abstract: Recommender systems continually retrain on user reactions to their own predictions, creating AI feedback loops that amplify biases and diminish fairness over time. Despite this well-known risk, most bias mitigation techniques are tested only on static splits, so their long-term fairness across multiple retraining rounds remains unclear. We therefore present a systematic literature review of bias mitigation methods that explicitly consider AI feedback loops and are validated in multi-round simulations or live A/B tests. Screening 347 papers yields 24 primary studies published between 2019-2025. Each study is coded on six dimensions: mitigation technique, biases addressed, dynamic testing set-up, evaluation focus, application domain, and ML task, organising them into a reusable taxonomy. The taxonomy offers industry practitioners a quick checklist for selecting robust methods and gives researchers a clear roadmap to the field's most urgent gaps. Examples include the shortage of shared simulators, varying evaluation metrics, and the fact that most studies report either fairness or performance; only six use both.
Authors: Oleksandr Cherendichenko, Josephine Solowiej-Wedderburn, Laura M. Carroll, Eric Libby
Abstract: A fundamental challenge in microbial ecology is determining whether bacteria compete or cooperate in different environmental conditions. With recent advances in genome-scale metabolic models, we are now capable of simulating interactions between thousands of pairs of bacteria in thousands of different environmental settings at a scale infeasible experimentally. These approaches can generate tremendous amounts of data that can be exploited by state-of-the-art machine learning algorithms to uncover the mechanisms driving interactions. Here, we present Friend or Foe, a compendium of 64 tabular environmental datasets, consisting of more than 26M shared environments for more than 10K pairs of bacteria sampled from two of the largest collections of metabolic models. The Friend or Foe datasets are curated for a wide range of machine learning tasks -- supervised, unsupervised, and generative -- to address specific questions underlying bacterial interactions. We benchmarked a selection of the most recent models for each of these tasks and our results indicate that machine learning can be successful in this application to microbial ecology. Going beyond, analyses of the Friend or Foe compendium can shed light on the predictability of bacterial interactions and highlight novel research directions into how bacteria infer and navigate their relationships.
Authors: Anuraj Maurya
Abstract: The rapid growth of statutory corpora and judicial decisions requires scalable legal AI systems capable of classification and retrieval over extremely long contexts. Transformer-based architectures (e.g., Longformer, DeBERTa) dominate current legal NLP benchmarks but struggle with quadratic attention costs, limiting efficiency and scalability. In this work, we present the first comprehensive benchmarking of Mamba, a state-space model (SSM) with linear-time selective mechanisms, against leading transformer models for statutory classification and case law retrieval. We evaluate models on open-source legal corpora including LexGLUE, EUR-Lex, and ILDC, covering statutory tagging, judicial outcome prediction, and case retrieval tasks. Metrics include accuracy, recall at k, mean reciprocal rank (MRR), and normalized discounted cumulative gain (nDCG), alongside throughput measured in tokens per second and maximum context length. Results show that Mamba's linear scaling enables processing of legal documents several times longer than transformers, while maintaining or surpassing retrieval and classification performance. This study introduces a new legal NLP benchmark suite for long-context modeling, along with open-source code and datasets to support reproducibility. Our findings highlight trade-offs between state-space models and transformers, providing guidance for deploying scalable legal AI in statutory analysis, judicial decision support, and policy research.
Authors: Daniel Ablin, Alon Cohen
Abstract: Optimization under uncertainty is a fundamental problem in learning and decision-making, particularly in multi-agent systems. Previously, Feldman, Kalai, and Tennenholtz [2010] demonstrated the ability to efficiently compete in repeated symmetric two-player matrix games without observing payoffs, as long as the opponents actions are observed. In this paper, we introduce and formalize a new class of zero-sum symmetric Markov games, which extends the notion of symmetry from matrix games to the Markovian setting. We show that even without observing payoffs, a player who knows the transition dynamics and observes only the opponents sequence of actions can still compete against an adversary who may have complete knowledge of the game. We formalize three distinct notions of symmetry in this setting and show that, under these conditions, the learning problem can be reduced to an instance of online learning, enabling the player to asymptotically match the return of the opponent despite lacking payoff observations. Our algorithms apply to both matrix and Markov games, and run in polynomial time with respect to the size of the game and the number of episodes. Our work broadens the class of games in which robust learning is possible under severe informational disadvantage and deepens the connection between online learning and adversarial game theory.
Authors: Uwe D. Hanebeck
Abstract: We propose a recursive particle filter for high-dimensional problems that inherently never degenerates. The state estimate is represented by deterministic low-discrepancy particle sets. We focus on the measurement update step, where a likelihood function is used for representing the measurement and its uncertainty. This likelihood is progressively introduced into the filtering procedure by homotopy continuation over an artificial time. A generalized Cram\'er distance between particle sets is derived in closed form that is differentiable and invariant to particle order. A Newton flow then continually minimizes this distance over artificial time and thus smoothly moves particles from prior to posterior density. The new filter is surprisingly simple to implement and very efficient. It just requires a prior particle set and a likelihood function, never estimates densities from samples, and can be used as a plugin replacement for classic approaches.
Authors: Chen Zheng, Zhenyu Zhao
Abstract: Online experiments (A/B tests) are widely regarded as the gold standard for evaluating recommender system variants and guiding launch decisions. However, a variety of biases can distort the results of the experiment and mislead decision-making. An underexplored but critical bias is algorithm adaptation effect. This bias arises from the flywheel dynamics among production models, user data, and training pipelines: new models are evaluated on user data whose distributions are shaped by the incumbent system or tested only in a small treatment group. As a result, the measured effect of a new product change in modeling and user experience in this constrained experimental setting can diverge substantially from its true impact in full deployment. In practice, the experiment results often favor the production variant with large traffic while underestimating the performance of the test variant with small traffic, which leads to missing opportunities to launch a true winning arm or underestimating the impact. This paper aims to raise awareness of algorithm adaptation bias, situate it within the broader landscape of RecSys evaluation biases, and motivate discussion of solutions that span experiment design, measurement, and adjustment. We detail the mechanisms of this bias, present empirical evidence from real-world experiments, and discuss potential methods for a more robust online evaluation.
Authors: Elo\"ise Touron, Pedro L. C. Rodrigues, Julyan Arbel, Nelle Varoquaux, Michael Arbel
Abstract: The chromatin folding and the spatial arrangement of chromosomes in the cell play a crucial role in DNA replication and genes expression. An improper chromatin folding could lead to malfunctions and, over time, diseases. For eukaryotes, centromeres are essential for proper chromosome segregation and folding. Despite extensive research using de novo sequencing of genomes and annotation analysis, centromere locations in yeasts remain difficult to infer and are still unknown in most species. Recently, genome-wide chromosome conformation capture coupled with next-generation sequencing (Hi-C) has become one of the leading methods to investigate chromosome structures. Some recent studies have used Hi-C data to give a point estimate of each centromere, but those approaches highly rely on a good pre-localization. Here, we present a novel approach that infers in a stochastic manner the locations of all centromeres in budding yeast based on both the experimental Hi-C map and simulated contact maps.
Authors: Silei Song, Arash Fahim, Michael Mascagni
Abstract: Solving elliptic partial differential equations (PDEs) is a fundamental step in various scientific and engineering studies. As a classic stochastic solver, the Walk-on-Spheres (WoS) method is a well-established and efficient algorithm that provides accurate local estimates for PDEs. In this paper, by integrating machine learning techniques with WoS and space discretization approaches, we develop a novel stochastic solver, WoS-NN. This new method solves elliptic problems with Dirichlet boundary conditions, facilitating precise and rapid global solutions and gradient approximations. The method inherits excellent characteristics from the original WoS method, such as being meshless and robust to irregular regions. By integrating neural networks, WoS-NN also gives instant local predictions after training without re-sampling, which is especially suitable for intense requests on a static region. A typical experimental result demonstrates that the proposed WoS-NN method provides accurate field estimations, reducing errors by around $75\%$ while using only $8\%$ of path samples compared to the conventional WoS method, which saves abundant computational time and resource consumption.
Authors: Joseph Amigo, Rooholla Khorrambakht, Elliot Chane-Sane, Nicolas Mansard, Ludovic Righetti
Abstract: There is growing interest in reinforcement learning (RL) methods that leverage the simulator's derivatives to improve learning efficiency. While early gradient-based approaches have demonstrated superior performance compared to derivative-free methods, accessing simulator gradients is often impractical due to their implementation cost or unavailability. Model-based RL (MBRL) can approximate these gradients via learned dynamics models, but the solver efficiency suffers from compounding prediction errors during training rollouts, which can degrade policy performance. We propose an approach that decouples trajectory generation from gradient computation: trajectories are unrolled using a simulator, while gradients are computed via backpropagation through a learned differentiable model of the simulator. This hybrid design enables efficient and consistent first-order policy optimization, even when simulator gradients are unavailable, as well as learning a critic from simulation rollouts, which is more accurate. Our method achieves the sample efficiency and speed of specialized optimizers such as SHAC, while maintaining the generality of standard approaches like PPO and avoiding ill behaviors observed in other first-order MBRL methods. We empirically validate our algorithm on benchmark control tasks and demonstrate its effectiveness on a real Go2 quadruped robot, across both quadrupedal and bipedal locomotion tasks.
Authors: Linus Stuhlmann, Michael Alexander Saxer
Abstract: This study evaluates the performance of three advanced speech encoder models, Wav2Vec 2.0, XLS-R, and Whisper, in speaker identification tasks. By fine-tuning these models and analyzing their layer-wise representations using SVCCA, k-means clustering, and t-SNE visualizations, we found that Wav2Vec 2.0 and XLS-R capture speaker-specific features effectively in their early layers, with fine-tuning improving stability and performance. Whisper showed better performance in deeper layers. Additionally, we determined the optimal number of transformer layers for each model when fine-tuned for speaker identification tasks.
Authors: Erwan Dereure, Emmanuel Akame Mfoumou, David Holcman
Abstract: We develop a probabilistic method for assessing the tail behavior and geometric stability of one-dimensional n i.i.d. samples by tracking how their span contracts when the most extreme points are trimmed. Central to our approach is the diameter-shrinkage ratio, that quantifies the relative reduction in data range as extreme points are successively removed. We derive analytical expressions, including finite-sample corrections, for the expected shrinkage under both the uniform and Gaussian hypotheses, and establish that these curves remain distinct even for moderate number of removal. We construct an elementary decision rule that assigns a sample to whichever theoretical shrinkage profile it most closely follows. This test achieves higher classification accuracy than the classical likelihood-ratio test in small-sample or noisy regimes, while preserving asymptotic consistency for large n. We further integrate our criterion into a clustering pipeline (e.g. DBSCAN), demonstrating its ability to validate one-dimensional clusters without any density estimation or parameter tuning. This work thus provides both theoretical insight and practical tools for robust distributional inference and cluster stability analysis.
Authors: Jared D. Fisher
Abstract: Bayesian Additive Regression Trees (BART) of Chipman et al. (2010) has proven to be a powerful tool for nonparametric modeling and prediction. Monotone BART (Chipman et al., 2022) is a recent development that allows BART to be more precise in estimating monotonic functions. We further these developments by proposing probit monotone BART, which allows the monotone BART framework to estimate conditional mean functions when the outcome variable is binary.
Authors: Andrew McCormack
Abstract: In this article the notion of the nondecreasing (ND) rank of a matrix or tensor is introduced. A tensor has an ND rank of r if it can be represented as a sum of r outer products of vectors, with each vector satisfying a monotonicity constraint. It is shown that for certain poset orderings finding an ND factorization of rank $r$ is equivalent to finding a nonnegative rank-r factorization of a transformed tensor. However, not every tensor that is monotonic has a finite ND rank. Theory is developed describing the properties of the ND rank, including typical, maximum, and border ND ranks. Highlighted also are the special settings where a matrix or tensor has an ND rank of one or two. As a means of finding low ND rank approximations to a data tensor we introduce a variant of the hierarchical alternating least squares algorithm. Low ND rank factorizations are found and interpreted for two datasets concerning the weight of pigs and a mental health survey during the COVID-19 pandemic.
Authors: Aryan Poduri, Yashwant Tailor
Abstract: Data engineering workflows require reliable differencing across files, databases, and query outputs, yet existing tools falter under schema drift, heterogeneous types, and limited explainability. SmartDiff is a unified system that combines schema-aware mapping, type-specific comparators, and parallel execution. It aligns evolving schemas, compares structured and semi-structured data (strings, numbers, dates, JSON/XML), and clusters results with labels that explain how and why differences occur. On multi-million-row datasets, SmartDiff achieves over 95 percent precision and recall, runs 30 to 40 percent faster, and uses 30 to 50 percent less memory than baselines; in user studies, it reduces root-cause analysis time from 10 hours to 12 minutes. An LLM-assisted labeling pipeline produces deterministic, schema-valid multilabel explanations using retrieval augmentation and constrained decoding; ablations show further gains in label accuracy and time to diagnosis over rules-only baselines. These results indicate SmartDiff's utility for migration validation, regression testing, compliance auditing, and continuous data quality monitoring. Index Terms: data differencing, schema evolution, data quality, parallel processing, clustering, explainable validation, big data
Authors: Bear H\"aon, Kaylene Stocking, Ian Chuang, Claire Tomlin
Abstract: Vision-Language-Action (VLA) models are a promising path to realizing generalist embodied agents that can quickly adapt to new tasks, modalities, and environments. However, methods for interpreting and steering VLAs fall far short of classical robotics pipelines, which are grounded in explicit models of kinematics, dynamics, and control. This lack of mechanistic insight is a central challenge for deploying learned policies in real-world robotics, where robustness and explainability are critical. Motivated by advances in mechanistic interpretability for large language models, we introduce the first framework for interpreting and steering VLAs via their internal representations, enabling direct intervention in model behavior at inference time. We project feedforward activations within transformer layers onto the token embedding basis, identifying sparse semantic directions - such as speed and direction - that are causally linked to action selection. Leveraging these findings, we introduce a general-purpose activation steering method that modulates behavior in real time, without fine-tuning, reward signals, or environment interaction. We evaluate this method on two recent open-source VLAs, Pi0 and OpenVLA, and demonstrate zero-shot behavioral control in simulation (LIBERO) and on a physical robot (UR5). This work demonstrates that interpretable components of embodied VLAs can be systematically harnessed for control - establishing a new paradigm for transparent and steerable foundation models in robotics.
Authors: Thinh Viet Le, Mark M. Wilde, Vassilis Kekatos
Abstract: The optimal power flow (OPF) is a large-scale optimization problem that is central in the operation of electric power systems. Although it can be posed as a nonconvex quadratically constrained quadratic program, the complexity of modern-day power grids raises scalability and optimality challenges. In this context, this work proposes a variational quantum paradigm for solving the OPF. We encode primal variables through the state of a parameterized quantum circuit (PQC), and dual variables through the probability mass function associated with a second PQC. The Lagrangian function can thus be expressed as scaled expectations of quantum observables. An OPF solution can be found by minimizing/maximizing the Lagrangian over the parameters of the first/second PQC. We pursue saddle points of the Lagrangian in a hybrid fashion. Gradients of the Lagrangian are estimated using the two PQCs, while PQC parameters are updated classically using a primal-dual method. We propose permuting primal variables so that OPF observables are expressed in a banded form, allowing them to be measured efficiently. Numerical tests on the IEEE 57-node power system using Pennylane's simulator corroborate that the proposed doubly variational quantum framework can find high-quality OPF solutions. Although showcased for the OPF, this framework features a broader scope, including conic programs with numerous variables and constraints, problems defined over sparse graphs, and training quantum machine learning models to satisfy constraints.
Authors: Marzi Heidari, Yuhong Guo
Abstract: Deep models trained on a single source domain often fail catastrophically under distribution shifts, a critical challenge in Single Domain Generalization (SDG). While existing methods focus on augmenting source data or learning invariant features, they neglect a readily available resource: textual descriptions of the target deployment environment. We propose Target-Oriented Single Domain Generalization (TO-SDG), a novel problem setup that leverages the textual description of the target domain, without requiring any target data, to guide model generalization. To address TO-SDG, we introduce Spectral TARget Alignment (STAR), a lightweight module that injects target semantics into source features by exploiting visual-language models (VLMs) such as CLIP. STAR uses a target-anchored subspace derived from the text embedding of the target description to recenter image features toward the deployment domain, then utilizes spectral projection to retain directions aligned with target cues while discarding source-specific noise. Moreover, we use a vision-language distillation to align backbone features with VLM's semantic geometry. STAR further employs feature-space Mixup to ensure smooth transitions between source and target-oriented representations. Experiments across various image classification and object detection benchmarks demonstrate STAR's superiority. This work establishes that minimal textual metadata, which is a practical and often overlooked resource, significantly enhances generalization under severe data constraints, opening new avenues for deploying robust models in target environments with unseen data.
Authors: Zhen Chen, Xingjian Luo, Kun Yuan, Jinlin Wu, Danny T. M. Chan, Nassir Navab, Hongbin Liu, Zhen Lei, Jiebo Luo
Abstract: Surgical video understanding is crucial for facilitating Computer-Assisted Surgery (CAS) systems. Despite significant progress in existing studies, two major limitations persist, including inadequate visual content perception and insufficient temporal awareness in surgical videos, and hinder the development of versatile CAS solutions. In this work, we propose the SurgLLM framework, an effective large multimodal model tailored for versatile surgical video understanding tasks with enhanced spatial focus and temporal awareness. Specifically, to empower the spatial focus of surgical videos, we first devise Surgical Context-aware Multimodal Pretraining (Surg-Pretrain) for the video encoder of SurgLLM, by performing instrument-centric Masked Video Reconstruction (MV-Recon) and subsequent multimodal alignment. To incorporate surgical temporal knowledge into SurgLLM, we further propose Temporal-aware Multimodal Tuning (TM-Tuning) to enhance temporal reasoning with interleaved multimodal embeddings. Moreover, to accommodate various understanding tasks of surgical videos without conflicts, we devise a Surgical Task Dynamic Ensemble to efficiently triage a query with optimal learnable parameters in our SurgLLM. Extensive experiments performed on diverse surgical video understanding tasks, including captioning, general VQA, and temporal VQA, demonstrate significant improvements over the state-of-the-art approaches, validating the effectiveness of our SurgLLM in versatile surgical video understanding. The source code is available at https://github.com/franciszchen/SurgLLM.
Authors: Yuting Tan, Xuying Li, Zhuo Li, Huizhen Shu, Peikang Hu
Abstract: Gradient-based adversarial prompting, such as the Greedy Coordinate Gradient (GCG) algorithm, has emerged as a powerful method for jailbreaking large language models (LLMs). In this paper, we present a systematic appraisal of GCG and its annealing-augmented variant, T-GCG, across open-source LLMs of varying scales. Using Qwen2.5-0.5B, LLaMA-3.2-1B, and GPT-OSS-20B, we evaluate attack effectiveness on both safety-oriented prompts (AdvBench) and reasoning-intensive coding prompts. Our study reveals three key findings: (1) attack success rates (ASR) decrease with model size, reflecting the increasing complexity and non-convexity of larger models' loss landscapes; (2) prefix-based heuristics substantially overestimate attack effectiveness compared to GPT-4o semantic judgments, which provide a stricter and more realistic evaluation; and (3) coding-related prompts are significantly more vulnerable than adversarial safety prompts, suggesting that reasoning itself can be exploited as an attack vector. In addition, preliminary results with T-GCG show that simulated annealing can diversify adversarial search and achieve competitive ASR under prefix evaluation, though its benefits under semantic judgment remain limited. Together, these findings highlight the scalability limits of GCG, expose overlooked vulnerabilities in reasoning tasks, and motivate further development of annealing-inspired strategies for more robust adversarial evaluation.
Authors: Salah Eddine Bekhouche, Abdellah Zakaria Sellam, Hichem Telli, Cosimo Distante, Abdenour Hadid
Abstract: Islamic inheritance law (Ilm al-Mawarith) requires precise identification of heirs and calculation of shares, which poses a challenge for AI. In this paper, we present a lightweight framework for solving multiple-choice inheritance questions using a specialised Arabic text encoder and Attentive Relevance Scoring (ARS). The system ranks answer options according to semantic relevance, and enables fast, on-device inference without generative reasoning. We evaluate Arabic encoders (MARBERT, ArabicBERT, AraBERT) and compare them with API-based LLMs (Gemini, DeepSeek) on the QIAS 2025 dataset. While large models achieve an accuracy of up to 87.6%, they require more resources and are context-dependent. Our MARBERT-based approach achieves 69.87% accuracy, presenting a compelling case for efficiency, on-device deployability, and privacy. While this is lower than the 87.6% achieved by the best-performing LLM, our work quantifies a critical trade-off between the peak performance of large models and the practical advantages of smaller, specialized systems in high-stakes domains.
Authors: Xinwen Liu, Lei Qian, Song Xi Chen, Niansheng Tang
Abstract: We introduce a Partial Functional Dynamic Backdoor Diffusion-based Causal Model (PFD-BDCM), specifically designed for causal inference in the presence of unmeasured confounders with spatial heterogeneity and temporal dependency. The proposed PFD-BDCM framework addresses the restrictions of the existing approaches by uniquely integrating models for complex spatio-temporal dynamics with the analysis of multi-resolution variables. Specifically, the framework systematically mitigates confounding bias by integrating valid backdoor adjustment sets into a diffusion-based sampling mechanism. Moreover, it accounts for the intricate dynamics of unmeasured confounders through the deployment of region-specific structural equations and conditional autoregressive processes, and accommodates variables observed at heterogeneous resolutions via basis expansions for functional data. Our theoretical analysis establishes error bounds for counterfactual estimates of PFD-BDCM, formally linking reconstruction accuracy to counterfactual fidelity under monotonicity assumptions of structural equation and invertibility assumptions of encoding function. Empirical evaluations on synthetic datasets and real-world air pollution data demonstrate PFD-BDCM's superiority over existing methods.
Authors: Mirkan Emir Sancak, Unal Sen, Ulker Diler Keris-Sen
Abstract: Accurate determination of total oxidant concentration ([Ox]_{tot}) in non-thermal plasma (NTP)-treated aqueous systems remains a critical challenge due to the transient nature of reactive oxygen and nitrogen species and the subjectivity of conventional titration methods used for [Ox]_{tot} determination. This study introduces a novel, color-based computer analysis (CBCA) method that integrates advanced image processing with machine learning (ML) to quantify colorimetric shifts in potassium iodide (KI) solutions during oxidation. First, a custom-built visual data acquisition system captured high-resolution video of the color transitions in a KI solution during oxidation with an NTP system. The change in [Ox]_{tot} during the experiments was monitored with a standard titrimetric method. Second, the captured frames were processed using a robust image processing pipeline to extract RGB, HSV, and Lab color features. The extracted features were statistically evaluated, and the results revealed strong linear correlations with the measured [Ox]_{tot} values, particularly in the saturation (HSV), a and b (Lab), and blue (RGB) channels. Subsequently, the [Ox]_{tot} measurements and the extracted color features were used to train and validate five ML models. Among them, linear regression and gradient boosting models achieved the highest predictive accuracy (R^2 > 0.990). It was also found that reducing the feature set from nine to four resulted in comparable performance with improved prediction efficiency, especially for gradient boosting. Finally, comparison of the model predictions with real titration measurements revealed that the CBCA system successfully predicts the [Ox]_{tot} in KI solution with high accuracy (R^2 > 0.998) even with a reduced number of features.
Authors: Dongwon Son, Hojin Jung, Beomjoon Kim
Abstract: Robot manipulation in unstructured environments requires efficient and reliable Swept Volume Collision Detection (SVCD) for safe motion planning. Traditional discrete methods potentially miss collisions between these points, whereas SVCD continuously checks for collisions along the entire trajectory. Existing SVCD methods typically face a trade-off between efficiency and accuracy, limiting practical use. In this paper, we introduce NeuralSVCD, a novel neural encoder-decoder architecture tailored to overcome this trade-off. Our approach leverages shape locality and temporal locality through distributed geometric representations and temporal optimization. This enhances computational efficiency without sacrificing accuracy. Comprehensive experiments show that NeuralSVCD consistently outperforms existing state-of-the-art SVCD methods in terms of both collision detection accuracy and computational efficiency, demonstrating its robust applicability across diverse robotic manipulation scenarios. Code and videos are available at https://neuralsvcd.github.io/.
Authors: S Krishna Niketh, Prasanta K Panigrahi, V Vignesh, Mayukha Pal
Abstract: This paper presents a physics-aware cyberphysical resilience framework for radial microgrids under coordinated cyberattacks. The proposed approach models the attacker through a hypergraph neural network (HGNN) enhanced with model agnostic metalearning (MAML) to rapidly adapt to evolving defense strategies and predict high-impact contingencies. The defender is modeled via a bi-level Stackelberg game, where the upper level selects optimal tie-line switching and distributed energy resource (DER) dispatch using an Alternating Direction Method of Multipliers (ADMM) coordinator embedded within the Non-dominated Sorting Genetic Algorithm II (NSGA-II). The framework simultaneously optimizes load served, operational cost, and voltage stability, ensuring all post-defense states satisfy network physics constraints. The methodology is first validated on the IEEE 69-bus distribution test system with 12 DERs, 8 critical loads, and 5 tie-lines, and then extended to higher bus systems including the IEEE 123-bus feeder and a synthetic 300-bus distribution system. Results show that the proposed defense strategy restores nearly full service for 90% of top-ranked attacks, mitigates voltage violations, and identifies Feeder 2 as the principal vulnerability corridor. Actionable operating rules are derived, recommending pre-arming of specific tie-lines to enhance resilience, while higher bus system studies confirm scalability of the framework on the IEEE 123-bus and 300-bus systems.
Authors: Cheng Zhang, Erhu Feng, Xi Zhao, Yisheng Zhao, Wangbo Gong, Jiahui Sun, Dong Du, Zhichao Hua, Yubin Xia, Haibo Chen
Abstract: With the rapid advancement of Vision-Language Models (VLMs), GUI-based mobile agents have emerged as a key development direction for intelligent mobile systems. However, existing agent models continue to face significant challenges in real-world task execution, particularly in terms of accuracy and efficiency. To address these limitations, we propose MobiAgent, a comprehensive mobile agent system comprising three core components: the MobiMind-series agent models, the AgentRR acceleration framework, and the MobiFlow benchmarking suite. Furthermore, recognizing that the capabilities of current mobile agents are still limited by the availability of high-quality data, we have developed an AI-assisted agile data collection pipeline that significantly reduces the cost of manual annotation. Compared to both general-purpose LLMs and specialized GUI agent models, MobiAgent achieves state-of-the-art performance in real-world mobile scenarios.
Authors: Katerina Hlavackova-Schindler, Suzana Marsela
Abstract: We address the problem of determining the causal direction between two univariate, continuous-valued variables, X and Y, under the assumption of no hidden confounders. In general, it is not possible to make definitive statements about causality without some assumptions on the underlying model. To distinguish between cause and effect, we propose a bivariate causal score based on the Minimum Description Length (MDL) principle, using functions that possess the density property on a compact real interval. We prove the identifiability of these causal scores under specific conditions. These conditions can be easily tested. Gaussianity of the noise in the causal model equations is not assumed, only that the noise is low. The well-studied class of cubic splines possesses the density property on a compact real interval. We propose LCUBE as an instantiation of the MDL-based causal score utilizing cubic regression splines. LCUBE is an identifiable method that is also interpretable, simple, and very fast. It has only one hyperparameter. Empirical evaluations compared to state-of-the-art methods demonstrate that LCUBE achieves superior precision in terms of AUDRC on the real-world Tuebingen cause-effect pairs dataset. It also shows superior average precision across common 10 benchmark datasets and achieves above average precision on 13 datasets.
Authors: Philip Lorimer, Jack Saunders, Alan Hunter, Wenbin Li
Abstract: Free-roaming dollies enhance filmmaking with dynamic movement, but challenges in automated camera control remain unresolved. Our study advances this field by applying Reinforcement Learning (RL) to automate dolly-in shots using free-roaming ground-based filming robots, overcoming traditional control hurdles. We demonstrate the effectiveness of combined control for precise film tasks by comparing it to independent control strategies. Our robust RL pipeline surpasses traditional Proportional-Derivative controller performance in simulation and proves its efficacy in real-world tests on a modified ROSBot 2.0 platform equipped with a camera turret. This validates our approach's practicality and sets the stage for further research in complex filming scenarios, contributing significantly to the fusion of technology with cinematic creativity. This work presents a leap forward in the field and opens new avenues for research and development, effectively bridging the gap between technological advancement and creative filmmaking.
Authors: Philip Lorimer, Alan Hunter, Wenbin Li
Abstract: Cinematic camera control demands a balance of precision and artistry - qualities that are difficult to encode through handcrafted reward functions. While reinforcement learning (RL) has been applied to robotic filmmaking, its reliance on bespoke rewards and extensive tuning limits creative usability. We propose a Learning from Demonstration (LfD) approach using Generative Adversarial Imitation Learning (GAIL) to automate dolly-in shots with a free-roaming, ground-based filming robot. Expert trajectories are collected via joystick teleoperation in simulation, capturing smooth, expressive motion without explicit objective design. Trained exclusively on these demonstrations, our GAIL policy outperforms a PPO baseline in simulation, achieving higher rewards, faster convergence, and lower variance. Crucially, it transfers directly to a real-world robot without fine-tuning, achieving more consistent framing and subject alignment than a prior TD3-based method. These results show that LfD offers a robust, reward-free alternative to RL in cinematic domains, enabling real-time deployment with minimal technical effort. Our pipeline brings intuitive, stylized camera control within reach of creative professionals, bridging the gap between artistic intent and robotic autonomy.
Authors: Saumya Chaturvedi, Aman Chadha, Laurent Bindschaedler
Abstract: Converting natural language queries into SQL queries is a crucial challenge in both industry and academia, aiming to increase access to databases and large-scale applications. This work examines how in-context learning and chain-of-thought can be utilized to develop a robust solution for text-to-SQL systems. We propose SQL-of-Thought: a multi-agent framework that decomposes the Text2SQL task into schema linking, subproblem identification, query plan generation, SQL generation, and a guided correction loop. Unlike prior systems that rely only on execution-based static correction, we introduce taxonomy-guided dynamic error modification informed by in-context learning. SQL-of-Thought achieves state-of-the-art results on the Spider dataset and its variants, combining guided error taxonomy with reasoning-based query planning.
Authors: Rishiraj Acharya
Abstract: The Transformer architecture, underpinned by the self-attention mechanism, has become the de facto standard for sequence modeling tasks. However, its core computational primitive scales quadratically with sequence length (O(N^2)), creating a significant bottleneck for processing long contexts. In this paper, we propose the Gated Associative Memory (GAM) network, a novel, fully parallel architecture for sequence modeling that exhibits linear complexity (O(N)) with respect to sequence length. The GAM block replaces the self-attention layer with two parallel pathways: a causal convolution to efficiently capture local, position-dependent context, and a parallel associative memory retrieval mechanism to model global, content-based patterns. These pathways are dynamically fused using a gating mechanism, allowing the model to flexibly combine local and global information for each token. We implement GAM from scratch and conduct a rigorous comparative analysis against a standard Transformer model and a modern linear-time baseline (Mamba) on the WikiText-2 benchmark, as well as against the Transformer on the TinyStories dataset. Our experiments demonstrate that GAM is consistently faster, outperforming both baselines on training speed, and achieves a superior or competitive final validation perplexity across all datasets, establishing it as a promising and efficient alternative for sequence modeling.
Authors: Narasimha Raghavan Veeraragavan, Jan Franz Nyg{\aa}rd
Abstract: We investigate how to calculate Kaplan-Meier survival curves across multiple health-care jurisdictions while protecting patient privacy with node-level differential privacy. Each site discloses its curve only once, adding Laplace noise whose scale is determined by the length of the common time grid; the server then averages the noisy curves, so the overall privacy budget remains unchanged. We benchmark four one-shot smoothing techniques: Discrete Cosine Transform, Haar Wavelet shrinkage, adaptive Total-Variation denoising, and a parametric Weibull fit on the NCCTG lung-cancer cohort under five privacy levels and three partition scenarios (uniform, moderately skewed, highly imbalanced). Total-Variation gives the best mean accuracy, whereas the frequency-domain smoothers offer stronger worst-case robustness and the Weibull model shows the most stable behaviour at the strictest privacy setting. Across all methods the released curves keep the empirical log-rank type-I error below fifteen percent for privacy budgets of 0.5 and higher, demonstrating that clinically useful survival information can be shared without iterative training or heavy cryptography.
Authors: Javier Orduz, Pablo Rivas, Erich Baker
Abstract: Quantum machine learning deals with leveraging quantum theory with classic machine learning algorithms. Current research efforts study the advantages of using quantum mechanics or quantum information theory to accelerate learning time or convergence. Other efforts study data transformations in the quantum information space to evaluate robustness and performance boosts. This paper focuses on processing input data using randomized quantum circuits that act as quantum convolutions producing new representations that can be used in a convolutional network. Experimental results suggest that the performance is comparable to classic convolutional neural networks, and in some instances, using quantum convolutions can accelerate convergence.
Authors: Ashwin Nagarajan, Hao-Wen Dong
Abstract: Text-to-music models capture broad attributes such as instrumentation or mood, but fine-grained stylistic control remains an open challenge. Existing stylization methods typically require retraining or specialized conditioning, which complicates reproducibility and limits policy compliance when artist names are restricted. We study whether lightweight, human-readable modifiers sampled from a large language model can provide a policy-robust alternative for stylistic control. Using MusicGen-small, we evaluate two artists: Billie Eilish (vocal pop) and Ludovico Einaudi (instrumental piano). For each artist, we use fifteen reference excerpts and evaluate matched seeds under three conditions: baseline prompts, artist-name prompts, and five descriptor sets. All prompts are generated using a large language model. Evaluation uses both VGGish and CLAP embeddings with distributional and per-clip similarity measures, including a new min-distance attribution metric. Results show that artist names are the strongest control signal across both artists, while name-free descriptors recover much of this effect. This highlights that existing safeguards such as the restriction of artist names in music generation prompts may not fully prevent style imitation. Cross-artist transfers reduce alignment, showing that descriptors encode targeted stylistic cues. We also present a descriptor table across ten contemporary artists to illustrate the breadth of the tokens. Together these findings define the name-free gap, the controllability difference between artist-name prompts and policy-compliant descriptors, shown through a reproducible evaluation protocol for prompt-level controllability.
Authors: Oluwatomisin I. Dada, Neil D. Lawrence
Abstract: Recent work has proposed machine learning (ML) approaches as fast surrogates for solving AC optimal power flow (AC-OPF), with claims of significant speed-ups and high accuracy. In this paper, we revisit these claims through a systematic evaluation of ML models against a set of simple yet carefully designed linear baselines. We introduce OPFormer-V, a transformer-based model for predicting bus voltages, and compare it to both the state-of-the-art DeepOPF-V model and simple linear methods. Our findings reveal that, while OPFormer-V improves over DeepOPF-V, the relative gains of the ML approaches considered are less pronounced than expected. Simple linear baselines can achieve comparable performance. These results highlight the importance of including strong linear baselines in future evaluations.
Authors: Yumeng Lin, Dong Li, Xintao Wu, Minglai Shao, Xujiang Zhao, Zhong Chen, Chen Zhao
Abstract: Ensuring fairness and robustness in machine learning models remains a challenge, particularly under domain shifts. We present Face4FairShifts, a large-scale facial image benchmark designed to systematically evaluate fairness-aware learning and domain generalization. The dataset includes 100,000 images across four visually distinct domains with 39 annotations within 14 attributes covering demographic and facial features. Through extensive experiments, we analyze model performance under distribution shifts and identify significant gaps. Our findings emphasize the limitations of existing related datasets and the need for more effective fairness-aware domain adaptation techniques. Face4FairShifts provides a comprehensive testbed for advancing equitable and reliable AI systems. The dataset is available online at https://meviuslab.github.io/Face4FairShifts/.
Authors: Xiyao Wang, Chunyuan Li, Jianwei Yang, Kai Zhang, Bo Liu, Tianyi Xiong, Furong Huang
Abstract: In vision-language modeling, critic models are typically trained to evaluate outputs -- assigning scalar scores or pairwise preferences -- rather than to generate responses. This separation from policy models, which produce the responses, is so entrenched that critics are rarely considered for direct policy use. In this work, we challenge this convention. We propose to reorganize preference-labeled critic datasets into verifiable training signals and perform reinforcement learning directly on a base generative model, producing LLaVA-Critic-R1, a multimodal critic trained to optimize preference judgments while retaining full generation ability. Surprisingly, LLaVA-Critic-R1 emerges not only as a top-performing critic but also as a competitive policy model -- matching or surpassing specialized reasoning VLMs trained with in-domain data across 26 visual reasoning and understanding benchmarks, with an average gain of +5.7% over its base model (Qwen-2.5-VL-7B). Extending this approach to existing strong reasoning VLMs yields LLaVA-Critic-R1+, which further advances policy performance without sacrificing critic quality, achieving a SoTA performance of 71.9 on MMMU at the 7B scale. Finally, we show that the enhanced critic ability benefits inference: applying self-critique at test time yields an average +13.8% improvement on five representative reasoning tasks without additional training. Our results reveal that RL training on critic data can produce a unified model excelling at both evaluation and generation, offering a simple path toward scalable, self-improving multimodal systems.
Authors: Akriti Verma, Shama Islam, Valeh Moghaddam, Adnan Anwar
Abstract: The pervasiveness of online toxicity, including hate speech and trolling, disrupts digital interactions and online well-being. Previous research has mainly focused on post-hoc moderation, overlooking the real-time emotional dynamics of online conversations and the impact of users' emotions on others. This paper presents a graph-based framework to identify the need for emotion regulation within online conversations. This framework promotes self-reflection to manage emotional responses and encourage responsible behaviour in real time. Additionally, a comment queuing mechanism is proposed to address intentional trolls who exploit emotions to inflame conversations. This mechanism introduces a delay in publishing comments, giving users time to self-regulate before further engaging in the conversation and helping maintain emotional balance. Analysis of social media data from Twitter and Reddit demonstrates that the graph-based framework reduced toxicity by 12%, while the comment queuing mechanism decreased the spread of anger by 15%, with only 4% of comments being temporarily held on average. These findings indicate that combining real-time emotion regulation with delayed moderation can significantly improve well-being in online environments.
Authors: Junghoon Justin Park, Jungwoo Seo, Sangyoon Bae, Samuel Yen-Chi Chen, Huan-Hsin Tseng, Jiook Cha, Shinjae Yoo
Abstract: Resting-state functional magnetic resonance imaging (fMRI) has emerged as a pivotal tool for revealing intrinsic brain network connectivity and identifying neural biomarkers of neuropsychiatric conditions. However, classical self-attention transformer models--despite their formidable representational power--struggle with quadratic complexity, large parameter counts, and substantial data requirements. To address these barriers, we introduce a Quantum Time-series Transformer, a novel quantum-enhanced transformer architecture leveraging Linear Combination of Unitaries and Quantum Singular Value Transformation. Unlike classical transformers, Quantum Time-series Transformer operates with polylogarithmic computational complexity, markedly reducing training overhead and enabling robust performance even with fewer parameters and limited sample sizes. Empirical evaluation on the largest-scale fMRI datasets from the Adolescent Brain Cognitive Development Study and the UK Biobank demonstrates that Quantum Time-series Transformer achieves comparable or superior predictive performance compared to state-of-the-art classical transformer models, with especially pronounced gains in small-sample scenarios. Interpretability analyses using SHapley Additive exPlanations further reveal that Quantum Time-series Transformer reliably identifies clinically meaningful neural biomarkers of attention-deficit/hyperactivity disorder (ADHD). These findings underscore the promise of quantum-enhanced transformers in advancing computational neuroscience by more efficiently modeling complex spatio-temporal dynamics and improving clinical interpretability.
Authors: Ananda Prakash Verma
Abstract: We present a theoretical framework for an Exam Readiness Index (ERI): a composite, blueprint-aware score R in [0,100] that summarizes a learner's readiness for a high-stakes exam while remaining interpretable and actionable. The ERI aggregates six signals -- Mastery (M), Coverage (C), Retention (R), Pace (P), Volatility (V), and Endurance (E) -- each derived from a stream of practice and mock-test interactions. We formalize axioms for component maps and the composite, prove monotonicity, Lipschitz stability, and bounded drift under blueprint re-weighting, and show existence and uniqueness of the optimal linear composite under convex design constraints. We further characterize confidence bands via blueprint-weighted concentration and prove compatibility with prerequisite-admissible curricula (knowledge spaces / learning spaces). The paper focuses on theory; empirical study is left to future work.
Authors: Laurent Condat, Peter Richt\'arik
Abstract: PAGE is a stochastic algorithm proposed by Li et al. [2021] to find a stationary point of an average of smooth nonconvex functions. We analyze PAGE in the convex setting and derive new convergence rates, leading to a better complexity than in the general nonconvex regime.
Authors: Govind Waghmare, Sumedh BG, Sonia Gupta, Srikanta Bedathur
Abstract: Large Language Models (LLMs) have shown strong capabilities in solving problems across domains, including graph-related tasks traditionally addressed by symbolic or algorithmic methods. In this work, we present a framework for structured context injection, where task-specific information is systematically embedded in the input to guide LLMs in solving a wide range of graph problems. Our method does not require fine-tuning of LLMs, making it cost-efficient and lightweight. We observe that certain graph reasoning tasks remain challenging for LLMs unless they are mapped to conceptually grounded representations. However, achieving such mappings through fine-tuning or repeated multi-step querying can be expensive and inefficient. Our approach offers a practical alternative by injecting structured context directly into the input, enabling the LLM to implicitly align the task with grounded conceptual spaces. We evaluate the approach on multiple graph tasks using both lightweight and large models, highlighting the trade-offs between accuracy and computational cost. The results demonstrate consistent performance improvements, showing that structured input context can rival or surpass more complex approaches. Our findings underscore the value of structured context injection as an effective and scalable strategy for graph understanding with LLMs.
Authors: Pilsung Kang
Abstract: Distinguishing correlation from causation is a fundamental challenge in machine intelligence, often representing a critical barrier to building robust and trustworthy systems. While Pearl's $\mathcal{DO}$-calculus provides a rigorous framework for causal inference, a parallel challenge lies in its physical implementation. Here, we apply and experimentally validate a quantum algorithmic framework for performing causal interventions. Our approach maps causal networks onto quantum circuits where probabilistic links are encoded by controlled-rotation gates, and interventions are realized by a structural remodeling of the circuit -- a physical analogue to Pearl's ``graph surgery''. We demonstrate the method's efficacy by resolving Simpson's Paradox in a 3-qubit model, and show its scalability by quantifying confounding bias in a 10-qubit healthcare simulation. Critically, we provide a proof-of-principle experimental validation on an IonQ Aria quantum computer, successfully reproducing the paradox and its resolution in the presence of real-world noise. This work establishes a practical pathway for quantum causal inference, offering a new computational tool to address deep-rooted challenges in algorithmic fairness and explainable AI (XAI).
Authors: Kuniko Paxton, Koorosh Aslansefat, Dhavalkumar Thakker, Yiannis Papadopoulos, Tanaya Maslekar
Abstract: Recent advances in deep learning have significantly improved the accuracy of skin lesion classification models, supporting medical diagnoses and promoting equitable healthcare. However, concerns remain about potential biases related to skin color, which can impact diagnostic outcomes. Ensuring fairness is challenging due to difficulties in classifying skin tones, high computational demands, and the complexity of objectively verifying fairness. To address these challenges, we propose a fairness algorithm for skin lesion classification that overcomes the challenges associated with achieving diagnostic fairness across varying skin tones. By calculating the skewness of the feature map in the convolution layer of the VGG (Visual Geometry Group) network and the patches and the heads of the Vision Transformer, our method reduces unnecessary channels related to skin tone, focusing instead on the lesion area. This approach lowers computational costs and mitigates bias without relying on conventional statistical methods. It potentially reduces model size while maintaining fairness, making it more practical for real-world applications.
Authors: Francesco Caravelli, Gianluca Milano, Adam Z. Stieg, Carlo Ricciardi, Simon Anthony Brown, Zdenka Kuncic
Abstract: Learning with physical systems is an emerging paradigm that seeks to harness the intrinsic nonlinear dynamics of physical substrates for learning. The impetus for a paradigm shift in how hardware is used for computational intelligence stems largely from the unsustainability of artificial neural network software implemented on conventional transistor-based hardware. This Perspective highlights one promising approach using physical networks comprised of resistive memory nanoscale components with dynamically reconfigurable, self-organising electrical circuitry. Experimental advances have revealed the non-trivial interactions within these Self-Organising Memristive Networks (SOMNs), offering insights into their collective nonlinear and adaptive dynamics, and how these properties can be harnessed for learning using different hardware implementations. Theoretical approaches, including mean-field theory, graph theory, and concepts from disordered systems, reveal deeper insights into the dynamics of SOMNs, especially during transitions between different conductance states where criticality and other dynamical phase transitions emerge in both experiments and models. Furthermore, parallels between adaptive dynamics in SOMNs and plasticity in biological neuronal networks suggest the potential for realising energy-efficient, brain-like continual learning. SOMNs thus offer a promising route toward embedded edge intelligence, unlocking real-time decision-making for autonomous systems, dynamic sensing, and personalised healthcare, by enabling embedded learning in resource-constrained environments. The overarching aim of this Perspective is to show how the convergence of nanotechnology, statistical physics, complex systems, and self-organising principles offers a unique opportunity to advance a new generation of physical intelligence technologies.
Authors: Florian Frommlet, Jon Lachmann, Geir Storvik, Aliaksandr Hubin
Abstract: The FBMS R package facilitates Bayesian model selection and model averaging in complex regression settings by employing a variety of Monte Carlo model exploration methods. At its core, the package implements an efficient Mode Jumping Markov Chain Monte Carlo (MJMCMC) algorithm, designed to improve mixing in multi-modal posterior landscapes within Bayesian generalized linear models. In addition, it provides a genetically modified MJMCMC (GMJMCMC) algorithm that introduces nonlinear feature generation, thereby enabling the estimation of Bayesian generalized nonlinear models (BGNLMs). Within this framework, the algorithm maintains and updates populations of transformed features, computes their posterior probabilities, and evaluates the posteriors of models constructed from them. We demonstrate the effective use of FBMS for both inferential and predictive modeling in Gaussian regression, focusing on different instances of the BGNLM class of models. Furthermore, through a broad set of applications, we illustrate how the methodology can be extended to increasingly complex modeling scenarios, extending to other response distributions and mixed effect models.
Authors: Reem Abdel-Salam, Mary Adewunmi, Modinat A. Abayomi
Abstract: Large language models (LLMs) are increasingly evident for accurate question answering across various domains. However, rigorous evaluation of their performance on complex question-answering (QA) capabilities is essential before deployment in real-world biomedical and healthcare applications. This paper presents our approach to the MedHopQA track of the BioCreative IX shared task, which focuses on multi-hop biomedical question answering involving diseases, genes, and chemicals. We adopt a supervised fine-tuning strategy leveraging LLaMA 3 8B, enhanced with a curated biomedical question-answer dataset compiled from external sources including BioASQ, MedQuAD, and TREC. Three experimental setups are explored: fine-tuning on combined short and long answers, short answers only, and long answers only. While our models demonstrate strong domain understanding, achieving concept-level accuracy scores of up to 0.8, their Exact Match (EM) scores remain significantly lower, particularly in the test phase. We introduce a two-stage inference pipeline for precise short-answer extraction to mitigate verbosity and improve alignment with evaluation metrics. Despite partial improvements, challenges persist in generating strictly formatted outputs. Our findings highlight the gap between semantic understanding and exact answer evaluation in biomedical LLM applications, motivating further research in output control and post-processing strategies.
Authors: Xinlei Liu, Tao Hu, Peng Yi, Weitao Han, Jichao Xie, Baolin Li
Abstract: Efficient adversarial attack methods are critical for assessing the robustness of computer vision models. In this paper, we reconstruct the optimization objective for generating adversarial examples as "maximizing the difference between the non-true labels' probability upper bound and the true label's probability," and propose a gradient-based attack method termed Sequential Difference Maximization (SDM). SDM establishes a three-layer optimization framework of "cycle-stage-step." The processes between cycles and between iterative steps are respectively identical, while optimization stages differ in terms of loss functions: in the initial stage, the negative probability of the true label is used as the loss function to compress the solution space; in subsequent stages, we introduce the Directional Probability Difference Ratio (DPDR) loss function to gradually increase the non-true labels' probability upper bound by compressing the irrelevant labels' probabilities. Experiments demonstrate that compared with previous SOTA methods, SDM not only exhibits stronger attack performance but also achieves higher attack cost-effectiveness. Additionally, SDM can be combined with adversarial training methods to enhance their defensive effects. The code is available at https://github.com/X-L-Liu/SDM.
Authors: Axel Mezini, Elena Umili, Ivan Donadello, Fabrizio Maria Maggi, Matteo Mancanelli, Fabio Patrizi
Abstract: This paper addresses the problem of suffix prediction in Business Process Management (BPM) by proposing a Neuro-Symbolic Predictive Process Monitoring (PPM) approach that integrates data-driven learning with temporal logic-based prior knowledge. While recent approaches leverage deep learning models for suffix prediction, they often fail to satisfy even basic logical constraints due to the absence of explicit integration of domain knowledge during training. We propose a novel method to incorporate Linear Temporal Logic over finite traces (LTLf) into the training process of autoregressive sequence predictors. Our approach introduces a differentiable logical loss function, defined using a soft approximation of LTLf semantics and the Gumbel-Softmax trick, which can be combined with standard predictive losses. This ensures the model learns to generate suffixes that are both accurate and logically consistent. Experimental evaluation on three real-world datasets shows that our method improves suffix prediction accuracy and compliance with temporal constraints. We also introduce two variants of the logic loss (local and global) and demonstrate their effectiveness under noisy and realistic settings. While developed in the context of BPM, our framework is applicable to any symbolic sequence generation task and contributes toward advancing Neuro-Symbolic AI.
Authors: Yuriy Izotov, Andrei Velichko
Abstract: This paper presents a low-resource speech-command recognizer combining energy-based voice activity detection (VAD), an optimized Mel-Frequency Cepstral Coefficients (MFCC) pipeline, and the LogNNet reservoir-computing classifier. Using four commands from the Speech Commands da-taset downsampled to 8 kHz, we evaluate four MFCC aggregation schemes and find that adaptive binning (64-dimensional feature vector) offers the best accuracy-to-compactness trade-off. The LogNNet classifier with architecture 64:33:9:4 reaches 92.04% accuracy under speaker-independent evaluation, while requiring significantly fewer parameters than conventional deep learn-ing models. Hardware implementation on Arduino Nano 33 IoT (ARM Cor-tex-M0+, 48 MHz, 32 KB RAM) validates the practical feasibility, achieving ~90% real-time recognition accuracy while consuming only 18 KB RAM (55% utilization). The complete pipeline (VAD -> MFCC -> LogNNet) thus enables reliable on-device speech-command recognition under strict memory and compute limits, making it suitable for battery-powered IoT nodes, wire-less sensor networks, and hands-free control interfaces.
Authors: Yizhe Zhang, Qiang Chen, Tao Zhou
Abstract: The emergence of powerful, general-purpose omnimodels capable of processing diverse data modalities has raised a critical question: can these ``jack-of-all-trades'' systems perform on par with highly specialized models in knowledge-intensive domains? This work investigates this question within the high-stakes field of medical image segmentation. We conduct a comparative study analyzing the zero-shot performance of a state-of-the-art omnimodel (Gemini 2.5 Pro, the ``Nano Banana'' model) against domain-specific deep learning models on three distinct tasks: polyp (endoscopy), retinal vessel (fundus), and breast tumor segmentation (ultrasound). Our study focuses on performance at the extremes by curating subsets of the ``easiest'' and ``hardest'' cases based on the specialist models' accuracy. Our findings reveal a nuanced and task-dependent landscape. For polyp and breast tumor segmentation, specialist models excel on easy samples, but the omnimodel demonstrates greater robustness on hard samples where specialists fail catastrophically. Conversely, for the fine-grained task of retinal vessel segmentation, the specialist model maintains superior performance across both easy and hard cases. Intriguingly, qualitative analysis suggests omnimodels may possess higher sensitivity, identifying subtle anatomical features missed by human annotators. Our results indicate that while current omnimodels are not yet a universal replacement for specialists, their unique strengths suggest a potential complementary role with specialist models, particularly in enhancing robustness on challenging edge cases.
Authors: Manon A. Dorster, Felix J. Dorfner, Mason C. Cleveland, Melisa S. Guelen, Jay Patel, Dania Daye, Jean-Philippe Thiran, Albert E. Kim, Christopher P. Bridge
Abstract: As early detection of breast cancer strongly favors successful therapeutic outcomes, there is major commercial interest in optimizing breast cancer screening. However, current risk prediction models achieve modest performance and do not incorporate digital breast tomosynthesis (DBT) imaging, which was FDA-approved for breast cancer screening in 2011. To address this unmet need, we present a deep learning (DL)-based framework capable of forecasting an individual patient's 5-year breast cancer risk directly from screening DBT. Using an unparalleled dataset of 161,753 DBT examinations from 50,590 patients, we trained a risk predictor based on features extracted using the Meta AI DINOv2 image encoder, combined with a cumulative hazard layer, to assess a patient's likelihood of developing breast cancer over five years. On a held-out test set, our best-performing model achieved an AUROC of 0.80 on predictions within 5 years. These findings reveal the high potential of DBT-based DL approaches to complement traditional risk assessment tools, and serve as a promising basis for additional investigation to validate and enhance our work.
Authors: V. R. Tjahjono, S. F. Feng, E. R. M. Putri, H. Susanto
Abstract: Recent developments in applied mathematics increasingly employ machine learning (ML)-particularly supervised learning-to accelerate numerical computations, such as solving nonlinear partial differential equations. In this work, we extend such techniques to objects of a more theoretical nature: the classification and structural analysis of fractal sets. Focusing on the Mandelbrot and Julia sets as principal examples, we demonstrate that supervised learning methods-including Classification and Regression Trees (CART), K-Nearest Neighbors (KNN), Multilayer Perceptrons (MLP), and Recurrent Neural Networks using both Long Short-Term Memory (LSTM) and Bidirectional LSTM (BiLSTM), Random Forests (RF), and Convolutional Neural Networks (CNN)-can classify fractal points with significantly higher predictive accuracy and substantially lower computational cost than traditional numerical approaches, such as the thresholding technique. These improvements are consistent across a range of models and evaluation metrics. Notably, KNN and RF exhibit the best overall performance, and comparative analyses between models (e.g., KNN vs. LSTM) suggest the presence of novel regularity properties in these mathematical structures. Collectively, our findings indicate that ML not only enhances classification efficiency but also offers promising avenues for generating new insights, intuitions, and conjectures within pure mathematics.
Authors: Anastasis Kratsios, Tin Sum Cheng, Daniel Roy
Abstract: At its core, machine learning seeks to train models that reliably generalize beyond noisy observations; however, the theoretical vacuum in which state-of-the-art universal approximation theorems (UATs) operate isolates them from this goal, as they assume noiseless data and allow network parameters to be chosen freely, independent of algorithmic realism. This paper bridges that gap by introducing an architecture-specific randomized training algorithm that constructs a uniform approximator from $N$ noisy training samples on the $d$-dimensional cube $[0,1]^d$. Our trained neural networks attain the minimax-optimal quantity of \textit{trainable} (non-random) parameters, subject to logarithmic factors which vanish under the idealized noiseless sampling assumed in classical UATs. Additionally, our trained models replicate key behaviours of real-world neural networks, absent in standard UAT constructions, by: (1) exhibiting sub-linear parametric complexity when fine-tuning on structurally related and favourable out-of-distribution tasks, (2) exactly interpolating the training data, and (3) maintaining reasonable Lipschitz regularity (after the initial clustering attention layer). These properties bring state-of-the-art UATs closer to practical machine learning, shifting the central open question from algorithmic implementability with noisy samples to whether stochastic gradient descent can achieve comparable guarantees.
Authors: Yanxiao Zhao, Yaqian Li, Zihao Bo, Rinyoichi Takezoe, Haojia Hui, Mo Guang, Lei Ren, Xiaolin Qin, Kaiwen Long
Abstract: Recent advances in Large Language Models (LLMs) have demonstrated remarkable general reasoning capabilities. However, systematically evaluating and enhancing these reasoning capabilities is challenging due to the lack of controllable and scalable tools for fine-grained analysis. Existing benchmarks and datasets often lack the necessary variable control for multi-dimensional, systematic analysis and training, or have narrow problem types and formats. To address these limitations, we introduce SATQuest, a systematic verifier designed to evaluate and enhance logical reasoning in LLMs by generating diverse, Satisfiability-based logical reasoning problems directly from Conjunctive Normal Form (CNF) instances. SATQuest structures these problems along three orthogonal dimensions: instance scale, problem type, and question format, employing randomized, SAT-based problem generation and objective answer verification via PySAT. This design mitigates memorization issues, allows for nuanced insights into reasoning performance, and enables effective reinforcement fine-tuning. Our extensive evaluation of various LLMs using SATQuest identified significant limitations in their logical reasoning, particularly in generalizing beyond familiar mathematical formats. Furthermore, we show that reinforcement fine-tuning with SATQuest rewards substantially improves targeted task performance and generalizes to more complex instances, while highlighting remaining challenges in cross-format adaptation. Through these demonstrations, we showcase SATQuest's potential as a foundational tool and a valuable starting point for advancing LLM logical reasoning.
Authors: David Hirnschall
Abstract: We present a novel deep generative semi-supervised framework for credit card fraud detection, formulated as time series classification task. As financial transaction data streams grow in scale and complexity, traditional methods often require large labeled datasets, struggle with time series of irregular sampling frequencies and varying sequence lengths. To address these challenges, we extend conditional Generative Adversarial Networks (GANs) for targeted data augmentation, integrate Bayesian inference to obtain predictive distributions and quantify uncertainty, and leverage log-signatures for robust feature encoding of transaction histories. We introduce a novel Wasserstein distance-based loss to align generated and real unlabeled samples while simultaneously maximizing classification accuracy on labeled data. Our approach is evaluated on the BankSim dataset, a widely used simulator for credit card transaction data, under varying proportions of labeled samples, demonstrating consistent improvements over benchmarks in both global statistical and domain-specific metrics. These findings highlight the effectiveness of GAN-driven semi-supervised learning with log-signatures for irregularly sampled time series and emphasize the importance of uncertainty-aware predictions.
Authors: Xiaoyu Wang, Yingli Wang, Lingjiong Zhu
Abstract: Langevin Monte Carlo (LMC) algorithms are popular Markov Chain Monte Carlo (MCMC) methods to sample a target probability distribution, which arises in many applications in machine learning. Inspired by regime-switching stochastic differential equations in the probability literature, we propose and study regime-switching Langevin dynamics (RS-LD) and regime-switching kinetic Langevin dynamics (RS-KLD). Based on their discretizations, we introduce regime-switching Langevin Monte Carlo (RS-LMC) and regime-switching kinetic Langevin Monte Carlo (RS-KLMC) algorithms, which can also be viewed as LMC and KLMC algorithms with random stepsizes. We also propose frictional-regime-switching kinetic Langevin dynamics (FRS-KLD) and its associated algorithm frictional-regime-switching kinetic Langevin Monte Carlo (FRS-KLMC), which can also be viewed as the KLMC algorithm with random frictional coefficients. We provide their 2-Wasserstein non-asymptotic convergence guarantees to the target distribution, and analyze the iteration complexities. Numerical experiments using both synthetic and real data are provided to illustrate the efficiency of our proposed algorithms.
Authors: Mridul Kumar, Yevgeny Rakita
Abstract: Phase-change materials (PCMs) such as Ge-Sb-Te alloys are widely used in non-volatile memory applications due to their rapid and reversible switching between amorphous and crystalline states. However, their functional properties are strongly governed by nanoscale variations in composition and structure, which are challenging to resolve using conventional techniques. Here, we apply unsupervised machine learning to 4-dimensional scanning transmission electron microscopy (4D-STEM) data to identify compositional and structural heterogeneity in Ge-Sb-Te. After preprocessing and dimensionality reduction with principal component analysis (PCA), cluster validation was performed with t-SNE and UMAP, followed by k-means clustering optimized through silhouette scoring. Four distinct clusters were identified which were mapped back to the diffraction data. Elemental intensity histograms revealed chemical signatures change across clusters, oxygen and germanium enrichment in Cluster 1, tellurium in Cluster 2, antimony in Cluster 3, and germanium again in Cluster 4. Furthermore, averaged diffraction patterns from these clusters confirmed structural variations. Together, these findings demonstrate that clustering analysis can provide a powerful framework for correlating local chemical and structural features in PCMs, offering deeper insights into their intrinsic heterogeneity.
Authors: Manish Verma, Vivek Sharma, Vishal Singh
Abstract: This paper introduces a novel, multi stage hybrid intelligence framework for pruning patent portfolios to identify high value assets for technology transfer. Current patent valuation methods often rely on retrospective indicators or manual, time intensive analysis. Our framework automates and deepens this process by combining a Learning to Rank (LTR) model, which evaluates patents against over 30 legal and commercial parameters, with a unique "Need-Seed" agent-based system. The "Need Agent" uses Natural Language Processing (NLP) to mine unstructured market and industry data, identifying explicit technological needs. Concurrently, the "Seed Agent" employs fine tuned Large Language Models (LLMs) to analyze patent claims and map their technological capabilities. The system generates a "Core Ontology Framework" that matches high potential patents (Seeds) to documented market demands (Needs), providing a strategic rationale for divestment decisions. We detail the architecture, including a dynamic parameter weighting system and a crucial Human in the-Loop (HITL) validation protocol, to ensure both adaptability and real-world credibility.
Authors: Lun Ai, Johannes Langer, Ute Schmid, Stephen Muggleton
Abstract: Ultra Strong Machine Learning (USML) refers to symbolic learning systems that not only improve their own performance but can also teach their acquired knowledge to quantifiably improve human performance. In this work, we present LENS (Logic Programming Explanation via Neural Summarisation), a neuro-symbolic method that combines symbolic program synthesis with large language models (LLMs) to automate the explanation of machine-learned logic programs in natural language. LENS addresses a key limitation of prior USML approaches by replacing hand-crafted explanation templates with scalable automated generation. Through systematic evaluation using multiple LLM judges and human validation, we demonstrate that LENS generates superior explanations compared to direct LLM prompting and hand-crafted templates. To investigate whether LENS can teach transferable active learning strategies, we carried out a human learning experiment across three related domains. Our results show no significant human performance improvements, suggesting that comprehensive LLM responses may overwhelm users for simpler problems rather than providing learning support. Our work provides a solid foundation for building effective USML systems to support human learning. The source code is available on: https://github.com/lun-ai/LENS.git.
Authors: Zifeng Ding, Shenyang Huang, Zeyu Cao, Emma Kondrup, Zachary Yang, Xingyue Huang, Yuan Sui, Zhangdie Yuan, Yuqicheng Zhu, Xianglong Hu, Yuan He, Farimah Poursafaei, Michael Bronstein, Andreas Vlachos
Abstract: Forecasting future links is a central task in temporal graph (TG) reasoning, requiring models to leverage historical interactions to predict upcoming ones. Traditional neural approaches, such as temporal graph neural networks, achieve strong performance but lack explainability and cannot be applied to unseen graphs without retraining. Recent studies have begun to explore using large language models (LLMs) for graph reasoning, but most of them are constrained to static graphs or small synthetic TGs and lack the evaluation of the quality of reasoning traces generated by LLMs. In this work, we present Reasoning-Enhanced Learning for Temporal Graphs (ReaL-TG), a reinforcement learning framework that fine-tunes LLMs to perform explainable link forecasting on real-world TGs. ReaL-TG uses outcome-based reward to encourage models to self-explore reasoning strategies from graph structure and to produce explanations that directly justify their predictions. To enable evaluation on LLM-generated reasoning traces, we propose a new evaluation protocol combining ranking metrics with an LLM-as-a-Judge system that assesses both the quality of reasoning and the impact of hallucinations. Experiments with ReaL-TG-4B, obtained by fine-tuning Qwen3-4B under our framework, show that it outperforms much larger frontier LLMs, including GPT-5 mini, on ranking metrics, while producing high-quality explanations confirmed by both the LLM judge and human evaluation.
Authors: Bhima Sankar Manthina (International Institute of Information Technology-Hyderabad), Shreyash Gujar (International Institute of Information Technology-Hyderabad), Sachin Chaudhari (International Institute of Information Technology-Hyderabad), Kavita Vemuri1 (International Institute of Information Technology-Hyderabad), Shivam Chhirolya (Prezent.AI, India)
Abstract: Urban noise pollution poses a significant threat to public health, yet existing monitoring infrastructures offer limited spatial coverage and adaptability. This paper presents a scalable, low-cost, IoT-based, real-time environmental noise monitoring solution using mobile nodes (sensor nodes on a moving vehicle). The system utilizes a low-cost sound sensor integrated with GPS-enabled modules to collect geotagged noise data at one-second intervals. The sound nodes are calibrated against a reference sound level meter in a laboratory setting to ensure accuracy using various machine learning (ML) algorithms, such as Simple Linear Regression (SLR), Multiple Linear Regression (MLR), Polynomial Regression (PR), Segmented Regression (SR), Support Vector Regression (SVR), Decision Tree (DT), and Random Forest Regression (RFR). While laboratory calibration demonstrates high accuracy, it is shown that the performance of the nodes degrades during data collection in a moving vehicle. To address this, it is demonstrated that the calibration must be performed on the IoT-based node based on the data collected in a moving environment along with the reference device. Among the employed ML models, RFR achieved the best performance with an R2 of 0.937 and RMSE of 1.09 for mobile calibration. The system was deployed in Hyderabad, India, through three measurement campaigns across 27 days, capturing 436,420 data points. Results highlight temporal and spatial noise variations across weekdays, weekends, and during Diwali. Incorporating vehicular velocity into the calibration significantly improves accuracy. The proposed system demonstrates the potential for widespread deployment of IoT-based noise sensing networks in smart cities, enabling effective noise pollution management and urban planning.
Authors: Deepak Bastola, Woohyeok Choi
Abstract: Legal documents pose unique challenges for text classification due to their domain-specific language and often limited labeled data. This paper proposes a hybrid approach for classifying legal texts by combining unsupervised topic and graph embeddings with a supervised model. We employ Top2Vec to learn semantic document embeddings and automatically discover latent topics, and Node2Vec to capture structural relationships via a bipartite graph of legal documents. The embeddings are combined and clustered using KMeans, yielding coherent groupings of documents. Our computations on a legal document dataset demonstrate that the combined Top2Vec+Node2Vec approach improves clustering quality over text-only or graph-only embeddings. We conduct a sensitivity analysis of hyperparameters, such as the number of clusters and the dimensionality of the embeddings, and demonstrate that our method achieves competitive performance against baseline Latent Dirichlet Allocation (LDA) and Non-Negative Matrix Factorization (NMF) models. Key findings indicate that while the pipeline presents an innovative approach to unsupervised legal document analysis by combining semantic topic modeling with graph embedding techniques, its efficacy is contingent upon the quality of initial topic generation and the representational power of the chosen embedding models for specialized legal language. Strategic recommendations include the exploration of domain-specific embeddings, more comprehensive hyperparameter tuning for Node2Vec, dynamic determination of cluster numbers, and robust human-in-the-loop validation processes to enhance legal relevance and trustworthiness. The pipeline demonstrates potential for exploratory legal data analysis and as a precursor to supervised learning tasks but requires further refinement and domain-specific adaptation for practical legal applications.
Authors: Fatma Chaouech, Javier Villegas, Ant\'onio Pereira, Carlos Baena, Sergio Fortes, Raquel Barco, Dominic Gribben, Mohammad Dib, Alba Villarino, Aser Cortines, Rom\'an Or\'us
Abstract: This work explores the integration of Quantum Machine Learning (QML) and Quantum-Inspired (QI) techniques for optimizing end-to-end (E2E) network services in telecommunication systems, particularly focusing on 5G networks and beyond. The application of QML and QI algorithms is investigated, comparing their performance with classical Machine Learning (ML) approaches. The present study employs a hybrid framework combining quantum and classical computing leveraging the strengths of QML and QI, without the penalty of quantum hardware availability. This is particularized for the optimization of the Quality of Experience (QoE) over cellular networks. The framework comprises an estimator for obtaining the expected QoE based on user metrics, service settings, and cell configuration, and an optimizer that uses the estimation to choose the best cell and service configuration. Although the approach is applicable to any QoE-based network management, its implementation is particularized for the optimization of network configurations for Cloud Gaming services. Then, it is evaluated via performance metrics such as accuracy and model loading and inference times for the estimator, and time to solution and solution score for the optimizer. The results indicate that QML models achieve similar or superior accuracy to classical ML models for estimation, while decreasing inference and loading times. Furthermore, potential for better performance is observed for higher-dimensional data, highlighting promising results for higher complexity problems. Thus, the results demonstrate the promising potential of QML in advancing network optimization, although challenges related to data availability and integration complexities between quantum and classical ML are identified as future research lines.
Authors: Aishni Parab, Hongjing Lu, Ying Nian Wu, Sumit Gulwani
Abstract: Inductive reasoning enables humans to infer abstract rules from limited examples and apply them to novel situations. In this work, we compare an LLM-based hypothesis search framework with direct program generation approaches on few-shot rule induction tasks. Our findings show that hypothesis search achieves performance comparable to humans, while direct program generation falls notably behind. An error analysis reveals key bottlenecks in hypothesis generation and suggests directions for advancing program induction methods. Overall, this paper underscores the potential of LLM-based hypothesis search for modeling inductive reasoning and the challenges in building more efficient systems.
Authors: Scarlett Raine, Benjamin Moshirian, Tobias Fischer
Abstract: Coral reefs are on the brink of collapse, with climate change, ocean acidification, and pollution leading to a projected 70-90% loss of coral species within the next decade. Restoration efforts are crucial, but their success hinges on introducing automation to upscale efforts. We present automated deployment of coral re-seeding devices powered by artificial intelligence, computer vision, and robotics. Specifically, we perform automated substrate classification, enabling detection of areas of the seafloor suitable for coral growth, thus significantly reducing reliance on human experts and increasing the range and efficiency of restoration. Real-world testing of the algorithms on the Great Barrier Reef leads to deployment accuracy of 77.8%, sub-image patch classification of 89.1%, and real-time model inference at 5.5 frames per second. Further, we present and publicly contribute a large collection of annotated substrate image data to foster future research in this area.
Authors: Mihir Bafna, Bowen Jing, Bonnie Berger
Abstract: Many methods have been developed to predict static protein structures, however understanding the dynamics of protein structure is essential for elucidating biological function. While molecular dynamics (MD) simulations remain the in silico gold standard, its high computational cost limits scalability. We present DynaProt, a lightweight, SE(3)-invariant framework that predicts rich descriptors of protein dynamics directly from static structures. By casting the problem through the lens of multivariate Gaussians, DynaProt estimates dynamics at two complementary scales: (1) per-residue marginal anisotropy as $3 \times 3$ covariance matrices capturing local flexibility, and (2) joint scalar covariances encoding pairwise dynamic coupling across residues. From these dynamics outputs, DynaProt achieves high accuracy in predicting residue-level flexibility (RMSF) and, remarkably, enables reasonable reconstruction of the full covariance matrix for fast ensemble generation. Notably, it does so using orders of magnitude fewer parameters than prior methods. Our results highlight the potential of direct protein dynamics prediction as a scalable alternative to existing methods.
Authors: Matte Lim, Catherine Yeh, Martin Wattenberg, Fernanda Vi\'egas, Panagiotis Michalatos
Abstract: Many real-world datasets -- from an artist's body of work to a person's social media history -- exhibit meaningful semantic changes over time that are difficult to capture with existing dimensionality reduction methods. To address this gap, we introduce a visualization technique that combines force-based projection and streaming clustering methods to build a spatial-temporal map of embeddings. Applying this technique, we create Chronotome, a tool for interactively exploring evolving themes in time-based data -- in real time. We demonstrate the utility of our approach through use cases on text and image data, showing how it offers a new lens for understanding the aesthetics and semantics of temporal datasets.
Authors: Xiaoqiang Lin, Aritra Ghosh, Bryan Kian Hsiang Low, Anshumali Shrivastava, Vijai Mohan
Abstract: Large Language Models (LLMs) have demonstrated remarkable capabilities in leveraging extensive external knowledge to enhance responses in multi-turn and agentic applications, such as retrieval-augmented generation (RAG). However, processing long-context inputs introduces significant system latency and demands substantial memory for the key-value cache, resulting in reduced throughput and a fundamental trade-off between knowledge enrichment and system efficiency. While minimizing latency for long-context inputs is a primary objective for LLMs, we contend that RAG require specialized consideration. In RAG, much of the LLM context consists of concatenated passages from retrieval, with only a small subset directly relevant to the query. These passages often exhibit low semantic similarity due to diversity or deduplication during re-ranking, leading to block-diagonal attention patterns that differ from those in standard LLM generation tasks. Based on this observation, we argue that most computations over the RAG context during decoding are unnecessary and can be eliminated with minimal impact on performance. To this end, we propose REFRAG, an efficient decoding framework that compresses, senses, and expands to improve latency in RAG applications. By exploiting the sparsity structure, we demonstrate a 30.85 the time-to-first-token acceleration (3.75 improvement to previous work) without loss in perplexity. In addition, our optimization framework for large context enables REFRAG to extend the context size of LLMs by 16. We provide rigorous validation of REFRAG across diverse long-context tasks, including RAG, multi-turn conversations, and long document summarization, spanning a wide range of datasets. Experimental results confirm that REFRAG delivers substantial speedup with no loss in accuracy compared to LLaMA models and other state-of-the-art baselines across various context sizes.
Authors: Ali Kakhbod, Peiyao Li
Abstract: We present NoLBERT, a lightweight, timestamped foundational language model for empirical research in social sciences, particularly in economics and finance. By pre-training exclusively on 1976-1995 text, NoLBERT avoids both lookback and lookahead biases that can undermine econometric inference. It exceeds domain-specific baselines on NLP benchmarks while maintaining temporal consistency. Applied to patent texts, NoLBERT enables the construction of firm-level innovation networks and shows that gains in innovation centrality predict higher long-run profit growth.
Authors: Hyunjong Ok, Jaeho Lee
Abstract: Recent advances in multimodal large language models (MLLMs) have led to much progress in video understanding tasks. To avoid the heavy computational cost of processing all frames, these models typically rely on keyframe sampling methods guided by vision-language encoders (\textit{e.g.,} SigLIP). However, it remains unclear whether such encoders can truly identify the most informative frames. In this work, we provide several empirical pieces of evidence revealing that popular vision encoders critically suffer from their limited capability to identify where the MLLM should look inside the video to handle the given textual query appropriately. Our findings suggest that the development of better keyframe identification techniques may be necessary for efficient video MLLMs.
Authors: Dmitry Yaremus, Jianghai Li, Alisa Kalacheva, Igor Vodolazov, Yury Yanovich
Abstract: This paper presents a machine learning framework for the early detection of rug pull scams on decentralized exchanges (DEXs) within The Open Network (TON) blockchain. TON's unique architecture, characterized by asynchronous execution and a massive web2 user base from Telegram, presents a novel and critical environment for fraud analysis. We conduct a comprehensive study on the two largest TON DEXs, Ston.Fi and DeDust, fusing data from both platforms to train our models. A key contribution is the implementation and comparative analysis of two distinct rug pull definitions--TVL-based (a catastrophic liquidity withdrawal) and idle-based (a sudden cessation of all trading activity)--within a single, unified study. We demonstrate that Gradient Boosting models can effectively identify rug pulls within the first five minutes of trading, with the TVL-based method achieving superior AUC (up to 0.891) while the idle-based method excels at recall. Our analysis reveals that while feature sets are consistent across exchanges, their underlying distributions differ significantly, challenging straightforward data fusion and highlighting the need for robust, platform-aware models. This work provides a crucial early-warning mechanism for investors and enhances the security infrastructure of the rapidly growing TON DeFi ecosystem.
Authors: Wei Huang, Huang Wei, Yinggui Wang
Abstract: Large language models (LLMs) excel in general tasks but struggle with domain-specific ones, requiring fine-tuning with specific data. With many open-source LLMs available, selecting the best model for fine-tuning downstream tasks is challenging, primarily focusing on how to quickly identify the optimal LLM. We introduce a Data and Model Compression Framework (DaMoC) that addresses this challenge by: 1) Data Level: A systematic categorization of data filtering methodologies for LLMs is first established, classifying them into three distinct paradigms: (1) distribution-aware methods, (2) quality-aware methods, and (3) hybrid approaches considering both dimensions. Further, we enhance the density of key tokens in the text achieving token compression. Subsequently, we use an LLM to iterative rewrite the text to optimize its expression. 2) Model Level: We use layer similarity scores to assess each layer's importance and remove those with lower importance. Then, we introduce a sparse merging paradigm to preserve as much of the original model's capability as possible. Extensive experiments on four datasets, medical Q&A, financial Q&A, general Q&A, and reading comprehension, show that we can select the optimal LLM while saving approximately 20-fold in training time.
Authors: Huanqi Hu, Bowen Xiao, Shixuan Sun, Jianian Yin, Zhexi Zhang, Xiang Luo, Chengquan Jiang, Weiqi Xu, Xiaoying Jia, Xin Liu, Minyi Guo
Abstract: Quantization is a critical technique for accelerating LLM inference by reducing memory footprint and improving computational efficiency. Among various schemes, 4-bit weight and 8-bit activation quantization (W4A8) offers a strong balance between accuracy and performance. However, existing W4A8 GEMM kernels fall short in practice due to inefficient dequantization on CUDA Cores, which cannot keep pace with the high throughput of Tensor Cores. In this paper, we present LiquidGEMM, a hardware-efficient W4A8 GEMM kernel for efficient LLM serving. LiquidGEMM designs two key techniques: LiquidQuant, a hardware-efficient quantization method that enables fast, overflow-safe dequantization using just two arithmetic instructions per four elements; and an implicit fine-grained pipeline that fully overlaps weight loading, dequantization, and MMA across warp groups without software synchronization or redundant memory traffic. Experimental results show that LiquidGEMM achieves up to 2.90x speedup over state-of-the-art W4A8 kernels and up to 4.94x end-to-end system-level speedup. Compared to various quantized GEMM kernels in NVIDIA TensorRT-LLM, LiquidGEMM delivers 1.12-1.63x performance gains, and achieves up to 1.63x system-level speedup.
Authors: Weihang Ouyang, Min Zhu, Wei Xiong, Si-Wei Liu, Lu Lu
Abstract: Physics-informed neural networks (PINNs) and neural operators, two leading scientific machine learning (SciML) paradigms, have emerged as powerful tools for solving partial differential equations (PDEs). Although increasing the training sample size generally enhances network performance, it also increases computational costs for physics-informed or data-driven training. To address this trade-off, different sampling strategies have been developed to sample more points in regions with high PDE residuals. However, existing sampling methods are computationally demanding for high-dimensional problems, such as high-dimensional PDEs or operator learning tasks. Here, we propose a residual-based adversarial-gradient moving sample (RAMS) method, which moves samples according to the adversarial gradient direction to maximize the PDE residual via gradient-based optimization. RAMS can be easily integrated into existing sampling methods. Extensive experiments, ranging from PINN applied to high-dimensional PDEs to physics-informed and data-driven operator learning problems, have been conducted to demonstrate the effectiveness of RAMS. Notably, RAMS represents the first efficient adaptive sampling approach for operator learning, marking a significant advancement in the SciML field.
Authors: Sayan Biswas, Philippe Chartier, Akash Dhasade, Tom Jurien, David Kerriou, Anne-Marie Kerrmarec, Mohammed Lemou, Franklin Tranie, Martijn de Vos, Milos Vujasinovic
Abstract: In contemporary cloud-based services, protecting users' sensitive data and ensuring the confidentiality of the server's model are critical. Fully homomorphic encryption (FHE) enables inference directly on encrypted inputs, but its practicality is hindered by expensive bootstrapping and inefficient approximations of non-linear activations. We introduce Safhire, a hybrid inference framework that executes linear layers under encryption on the server while offloading non-linearities to the client in plaintext. This design eliminates bootstrapping, supports exact activations, and significantly reduces computation. To safeguard model confidentiality despite client access to intermediate outputs, Safhire applies randomized shuffling, which obfuscates intermediate values and makes it practically impossible to reconstruct the model. To further reduce latency, Safhire incorporates advanced optimizations such as fast ciphertext packing and partial extraction. Evaluations on multiple standard models and datasets show that Safhire achieves 1.5X - 10.5X lower inference latency than Orion, a state-of-the-art baseline, with manageable communication overhead and comparable accuracy, thereby establishing the practicality of hybrid FHE inference.
Authors: Jiawei Cao, Jie Ouyang, Zhaomeng Zhou, Mingyue Cheng, Yupeng Li, Jiaxian Yan, Qi Liu
Abstract: Temporal Information Retrieval (TIR) is a critical yet unresolved task for modern search systems, retrieving documents that not only satisfy a query's information need but also adhere to its temporal constraints. This task is shaped by two challenges: Relevance, ensuring alignment with the query's explicit temporal requirements, and Recency, selecting the freshest document among multiple versions. Existing methods often address the two challenges in isolation, relying on brittle heuristics that fail in scenarios where temporal requirements and staleness resistance are intertwined. To address this gap, we introduce Re2Bench, a benchmark specifically designed to disentangle and evaluate Relevance, Recency, and their hybrid combination. Building on this foundation, we propose Re3, a unified and lightweight framework that dynamically balances semantic and temporal information through a query-aware gating mechanism. On Re2Bench, Re3 achieves state-of-the-art results, leading in R@1 across all three subsets. Ablation studies with backbone sensitivity tests confirm robustness, showing strong generalization across diverse encoders and real-world settings. This work provides both a generalizable solution and a principled evaluation suite, advancing the development of temporally aware retrieval systems. Re3 and Re2Bench are available online: https://anonymous.4open.science/r/Re3-0C5A
Authors: Meituan LongCat Team, Bayan, Bei Li, Bingye Lei, Bo Wang, Bolin Rong, Chao Wang, Chao Zhang, Chen Gao, Chen Zhang, Cheng Sun, Chengcheng Han, Chenguang Xi, Chi Zhang, Chong Peng, Chuan Qin, Chuyu Zhang, Cong Chen, Congkui Wang, Dan Ma, Daoru Pan, Defei Bu, Dengchang Zhao, Deyang Kong, Dishan Liu, Feiye Huo, Fengcun Li, Fubao Zhang, Gan Dong, Gang Liu, Gang Xu, Ge Li, Guoqiang Tan, Guoyuan Lin, Haihang Jing, Haomin Fu, Haonan Yan, Haoxing Wen, Haozhe Zhao, Hong Liu, Hongmei Shi, Hongyan Hao, Hongyin Tang, Huantian Lv, Hui Su, Jiacheng Li, Jiahao Liu, Jiahuan Li, Jiajun Yang, Jiaming Wang, Jian Yang, Jianchao Tan, Jiaqi Sun, Jiaqi Zhang, Jiawei Fu, Jiawei Yang, Jiaxi Hu, Jiayu Qin, Jingang Wang, Jiyuan He, Jun Kuang, Junhui Mei, Kai Liang, Ke He, Kefeng Zhang, Keheng Wang, Keqing He, Liang Gao, Liang Shi, Lianhui Ma, Lin Qiu, Lingbin Kong, Lingtong Si, Linkun Lyu, Linsen Guo, Liqi Yang, Lizhi Yan, Mai Xia, Man Gao, Manyuan Zhang, Meng Zhou, Mengxia Shen, Mingxiang Tuo, Mingyang Zhu, Peiguang Li, Peng Pei, Peng Zhao, Pengcheng Jia, Pingwei Sun, Qi Gu, Qianyun Li, Qingyuan Li, Qiong Huang, Qiyuan Duan, Ran Meng, Rongxiang Weng, Ruichen Shao, Rumei Li, Shizhe Wu, Shuai Liang, Shuo Wang, Suogui Dang, Tao Fang, Tao Li, Tefeng Chen, Tianhao Bai, Tianhao Zhou, Tingwen Xie, Wei He, Wei Huang, Wei Liu, Wei Shi, Wei Wang, Wei Wu, Weikang Zhao, Wen Zan, Wenjie Shi, Xi Nan, Xi Su, Xiang Li, Xiang Mei, Xiangyang Ji, Xiangyu Xi, Xiangzhou Huang, Xianpeng Li, Xiao Fu, Xiao Liu, Xiao Wei, Xiaodong Cai, Xiaolong Chen, Xiaoqing Liu, Xiaotong Li, Xiaowei Shi, Xiaoyu Li, Xili Wang, Xin Chen, Xing Hu, Xingyu Miao, Xinyan He, Xuemiao Zhang, Xueyuan Hao, Xuezhi Cao, Xunliang Cai, Xurui Yang, Yan Feng, Yang Bai, Yang Chen, Yang Yang, Yaqi Huo, Yerui Sun, Yifan Lu, Yifan Zhang, Yipeng Zang, Yitao Zhai, Yiyang Li, Yongjing Yin, Yongkang Lv, Yongwei Zhou, Yu Yang, Yuchen Xie, Yueqing Sun, Yuewen Zheng, Yuhua Wei, Yulei Qian, Yunfan Liang, Yunfang Tai, Yunke Zhao, Zeyang Yu, Zhao Zhang, Zhaohua Yang, Zhenchao Zhang, Zhikang Xia, Zhiye Zou, Zhizhao Zeng, Zhongda Su, Zhuofan Chen, Zijian Zhang, Ziwen Wang, Zixu Jiang, Zizhe Zhao, Zongyu Wang, Zunhai Su
Abstract: We introduce LongCat-Flash, a 560-billion-parameter Mixture-of-Experts (MoE) language model designed for both computational efficiency and advanced agentic capabilities. Stemming from the need for scalable efficiency, LongCat-Flash adopts two novel designs: (a) Zero-computation Experts, which enables dynamic computational budget allocation and activates 18.6B-31.3B (27B on average) per token depending on contextual demands, optimizing resource usage. (b) Shortcut-connected MoE, which enlarges the computation-communication overlap window, demonstrating notable gains in inference efficiency and throughput compared to models of a comparable scale. We develop a comprehensive scaling framework for large models that combines hyperparameter transfer, model-growth initialization, a multi-pronged stability suite, and deterministic computation to achieve stable and reproducible training. Notably, leveraging the synergy among scalable architectural design and infrastructure efforts, we complete model training on more than 20 trillion tokens within 30 days, while achieving over 100 tokens per second (TPS) for inference at a cost of \$0.70 per million output tokens. To cultivate LongCat-Flash towards agentic intelligence, we conduct a large-scale pre-training on optimized mixtures, followed by targeted mid- and post-training on reasoning, code, and instructions, with further augmentation from synthetic data and tool use tasks. Comprehensive evaluations demonstrate that, as a non-thinking foundation model, LongCat-Flash delivers highly competitive performance among other leading models, with exceptional strengths in agentic tasks. The model checkpoint of LongCat-Flash is open-sourced to foster community research. LongCat Chat: https://longcat.ai Hugging Face: https://huggingface.co/meituan-longcat GitHub: https://github.com/meituan-longcat
URLs: https://longcat.ai, https://huggingface.co/meituan-longcat, https://github.com/meituan-longcat
Authors: Maria F. Alcala-Durand, J. Camilo Puerta-Acevedo, Juli\'an D. Arias-Londo\~no, Juan I. Godino-Llorente
Abstract: Eye movements can reveal early signs of neurodegeneration, including those associated with Parkinson's Disease (PD). This work investigates the utility of a set of gaze-based features for the automatic screening of PD from different visual exploration tasks. For this purpose, a novel methodology is introduced, combining classic fixation/saccade oculomotor features (e.g., saccade count, fixation duration, scanned area) with features derived from gaze clusters (i.e., regions with a considerable accumulation of fixations). These features are automatically extracted from six exploration tests and evaluated using different machine learning classifiers. A Mixture of Experts ensemble is used to integrate outputs across tests and both eyes. Results show that ensemble models outperform individual classifiers, achieving an Area Under the Receiving Operating Characteristic Curve (AUC) of 0.95 on a held-out test set. The findings support visual exploration as a non-invasive tool for early automatic screening of PD.
Authors: Vishal Pandey, Ranjita Das, Debasmita Biswas
Abstract: Meeting the increasing global demand for food security and sustainable farming requires intelligent crop recommendation systems that operate in real time. Traditional soil analysis techniques are often slow, labor-intensive, and not suitable for on-field decision-making. To address these limitations, we introduce AgroSense, a deep-learning framework that integrates soil image classification and nutrient profiling to produce accurate and contextually relevant crop recommendations. AgroSense comprises two main components: a Soil Classification Module, which leverages ResNet-18, EfficientNet-B0, and Vision Transformer architectures to categorize soil types from images; and a Crop Recommendation Module, which employs a Multi-Layer Perceptron, XGBoost, LightGBM, and TabNet to analyze structured soil data, including nutrient levels, pH, and rainfall. We curated a multimodal dataset of 10,000 paired samples drawn from publicly available Kaggle repositories, approximately 50,000 soil images across seven classes, and 25,000 nutrient profiles for experimental evaluation. The fused model achieves 98.0% accuracy, with a precision of 97.8%, a recall of 97.7%, and an F1-score of 96.75%, while RMSE and MAE drop to 0.32 and 0.27, respectively. Ablation studies underscore the critical role of multimodal coupling, and statistical validation via t-tests and ANOVA confirms the significance of our improvements. AgroSense offers a practical, scalable solution for real-time decision support in precision agriculture and paves the way for future lightweight multimodal AI systems in resource-constrained environments.
Authors: Chanju Park (Swansea University), Biagio Lucini (Queen Mary University of London), Gert Aarts (Swansea University)
Abstract: Hyperparameter tuning is one of the essential steps to guarantee the convergence of machine learning models. We argue that intuition about the optimal choice of hyperparameters for stochastic gradient descent can be obtained by studying a neural network's phase diagram, in which each phase is characterised by distinctive dynamics of the singular values of weight matrices. Taking inspiration from disordered systems, we start from the observation that the loss landscape of a multilayer neural network with mean squared error can be interpreted as a disordered system in feature space, where the learnt features are mapped to soft spin degrees of freedom, the initial variance of the weight matrices is interpreted as the strength of the disorder, and temperature is given by the ratio of the learning rate and the batch size. As the model is trained, three phases can be identified, in which the dynamics of weight matrices is qualitatively different. Employing a Langevin equation for stochastic gradient descent, previously derived using Dyson Brownian motion, we demonstrate that the three dynamical regimes can be classified effectively, providing practical guidance for the choice of hyperparameters of the optimiser.
Authors: Che Liu, Zheng Jiang, Chengyu Fang, Heng Guo, Yan-Jie Zhou, Jiaqi Qu, Le Lu, Minfeng Xu
Abstract: Medical image retrieval is essential for clinical decision-making and translational research, relying on discriminative visual representations. Yet, current methods remain fragmented, relying on separate architectures and training strategies for 2D, 3D, and video-based medical data. This modality-specific design hampers scalability and inhibits the development of unified representations. To enable unified learning, we curate a large-scale hybrid-modality dataset comprising 867,653 medical imaging samples, including 2D X-rays and ultrasounds, RGB endoscopy videos, and 3D CT scans. Leveraging this dataset, we train M3Ret, a unified visual encoder without any modality-specific customization. It successfully learns transferable representations using both generative (MAE) and contrastive (SimDINO) self-supervised learning (SSL) paradigms. Our approach sets a new state-of-the-art in zero-shot image-to-image retrieval across all individual modalities, surpassing strong baselines such as DINOv3 and the text-supervised BMC-CLIP. More remarkably, strong cross-modal alignment emerges without paired data, and the model generalizes to unseen MRI tasks, despite never observing MRI during pretraining, demonstrating the generalizability of purely visual self-supervision to unseen modalities. Comprehensive analyses further validate the scalability of our framework across model and data sizes. These findings deliver a promising signal to the medical imaging community, positioning M3Ret as a step toward foundation models for visual SSL in multimodal medical image understanding.
Authors: Serwar Basch, Ilia Kuznetsov, Tom Hope, Iryna Gurevych
Abstract: Understanding fine-grained relations between documents is crucial for many application domains. However, the study of automated assistance is limited by the lack of efficient methods to create training and evaluation datasets of cross-document links. To address this, we introduce a new domain-agnostic framework for selecting a best-performing approach and annotating cross-document links in a new domain from scratch. We first generate and validate semi-synthetic datasets of interconnected documents. This data is used to perform automatic evaluation, producing a shortlist of best-performing linking approaches. These approaches are then used in an extensive human evaluation study, yielding performance estimates on natural text pairs. We apply our framework in two distinct domains -- peer review and news -- and show that combining retrieval models with LLMs achieves 78\% link approval from human raters, more than doubling the precision of strong retrievers alone. Our framework enables systematic study of cross-document understanding across application scenarios, and the resulting novel datasets lay foundation for numerous cross-document tasks like media framing and peer review. We make the code, data, and annotation protocols openly available.
Authors: Matthias Vigl, Lukas Heinrich
Abstract: Recently, the benefit of heavily overparameterized models has been observed in machine learning tasks: models with enough capacity to easily cross the \emph{interpolation threshold} improve in generalization error compared to the classical bias-variance tradeoff regime. We demonstrate this behavior for the first time in particle physics data and explore when and where `double descent' appears and under which circumstances overparameterization results in a performance gain.
Authors: Maria Helo\'isa F. da Silva, Gleydson F. de Jesus, Christiano M. S. Nascimento, Val\'eria L. da Silva, Clebson Cruz
Abstract: Weather forecasting plays a crucial role in supporting strategic decisions across various sectors, including agriculture, renewable energy production, and disaster management. However, the inherently dynamic and chaotic behavior of the atmosphere presents significant challenges to conventional predictive models. On the other hand, introducing quantum computing simulation techniques to the forecasting problems constitutes a promising alternative to overcome these challenges. In this context, this work explores the emerging intersection between quantum machine learning (QML) and climate forecasting. We present the implementation of a Quantum Neural Network (QNN) trained on real meteorological data from NASA's Prediction of Worldwide Energy Resources (POWER) database. The results show that QNN has the potential to outperform a classical Recurrent Neural Network (RNN) in terms of accuracy and adaptability to abrupt data shifts, particularly in wind speed prediction. Despite observed nonlinearities and architectural sensitivities, the QNN demonstrated robustness in handling temporal variability and faster convergence in temperature prediction. These findings highlight the potential of quantum models in short and medium term climate prediction, while also revealing key challenges and future directions for optimization and broader applicability.
Authors: Amir R. Asadi
Abstract: Hierarchical structures, which include multiple levels, are prevalent in statistical and machine-learning models as well as physical systems. Extending the foundational result that the maximum entropy distribution under mean constraints is given by the exponential Gibbs-Boltzmann form, we introduce the framework of "hierarchical maximum entropy" to address these multilevel models. We demonstrate that Pareto optimal distributions, which maximize entropies across all levels of hierarchical transformations, can be obtained via renormalization-group procedures from theoretical physics. This is achieved by formulating multilevel extensions of the Gibbs variational principle and the Donsker-Varadhan variational representation of entropy. Moreover, we explore settings with hierarchical invariances that significantly simplify the renormalization-group procedures, enhancing computational efficiency: quadratic modular loss functions, logarithmic loss functions, and nearest-neighbor loss functions. This is accomplished through the introduction of the concept of parameter flows, which serves as an analog to renormalization flows in renormalization group theory. This work connects ideas from probability theory, information theory, and statistical mechanics.
Authors: Yves Stebler, Thomas M. Sutter, Ece Ozkan, Julia E. Vogt
Abstract: Ultrasound (US) imaging is a critical tool in medical diagnostics, offering real-time visualization of physiological processes. One of its major advantages is its ability to capture temporal dynamics, which is essential for assessing motion patterns in applications such as cardiac monitoring, fetal development, and vascular imaging. Despite its importance, current deep learning models often overlook the temporal continuity of ultrasound sequences, analyzing frames independently and missing key temporal dependencies. To address this gap, we propose a method for learning effective temporal representations from ultrasound videos, with a focus on echocardiography-based ejection fraction (EF) estimation. EF prediction serves as an ideal case study to demonstrate the necessity of temporal learning, as it requires capturing the rhythmic contraction and relaxation of the heart. Our approach leverages temporally consistent masking and contrastive learning to enforce temporal coherence across video frames, enhancing the model's ability to represent motion patterns. Evaluated on the EchoNet-Dynamic dataset, our method achieves a substantial improvement in EF prediction accuracy, highlighting the importance of temporally-aware representation learning for real-time ultrasound analysis.
Authors: Takuo Matsubara, Andrew Duncan, Simon Cotter, Konstantinos Zygalakis
Abstract: We introduce bandit importance sampling (BIS), a new class of importance sampling methods designed for settings where the target density is expensive to evaluate. In contrast to adaptive importance sampling, which optimises a proposal distribution, BIS directly designs the samples through a sequential strategy that combines space-filling designs with multi-armed bandits. Our method leverages Gaussian process surrogates to guide sample selection, enabling efficient exploration of the parameter space with minimal target evaluations. We establish theoretical guarantees on convergence and demonstrate the effectiveness of the method across a broad range of sampling tasks. BIS delivers accurate approximations with fewer target evaluations, outperforming competing approaches across multimodal, heavy-tailed distributions, and real-world applications to Bayesian inference of computationally expensive models.
Authors: Viacheslav Yusupov, Maxim Rakhuba, Evgeny Frolov
Abstract: In this work, we present a fast and effective Linear approach for updating recommendations in a scalable graph-based recommender system UltraGCN. Solving this task is extremely important to maintain the relevance of the recommendations under the conditions of a large amount of new data and changing user preferences. To address this issue, we adapt the simple yet effective low-rank approximation approach to the graph-based model. Our method delivers instantaneous recommendations that are up to 30 times faster than conventional methods, with gains in recommendation quality, and demonstrates high scalability even on the large catalogue datasets.
Authors: Hao-Chih Lee, Zelong Liu, Hamza Ahmed, Spencer Kim, Sean Huver, Vishwesh Nath, Zahi A. Fayad, Timothy Deyer, Xueyan Mei
Abstract: General-purpose vision-language models (VLMs) have emerged as promising tools in radiology, offering zero-shot capabilities that mitigate the need for large labeled datasets. However, in high-stakes domains like diagnostic radiology, these models often lack the discriminative precision required for reliable clinical use. This challenge is compounded by the scarcity and heterogeneity of publicly available volumetric CT datasets, which vary widely in annotation formats and granularity. To address these limitations, we introduce Uniferum, a volumetric VLM that unifies diverse supervision signals, encoded in classification labels and segmentation masks, into a single training framework. By harmonizing three public 3D CT datasets with distinct annotations, Uniferum achieves state-of-the-art performance, improving AUROC on the CT-RATE benchmark by 7% compared to CLIP-based and conventional multi-label convolutional models. The model demonstrates robust out-of-distribution generalization, with observed evidence of unexpected zero-shot performance on the RAD-CHEST and INSPECT datasets. Our results highlight the effectiveness of integrating heterogeneous annotations and body segmentation to enhance model performance, setting a new direction for clinically reliable, data-efficient VLMs in 3D medical imaging.
Authors: Madan Krishnamurthy, Surya Saha, Pierrette Lo, Patricia L. Whetzel, Tursynay Issabekova, Jamed Ferreris Vargas, Jack DiGiovanna, Melissa A Haendel
Abstract: Trisomy 21 results in Down syndrome, a multifaceted genetic disorder with diverse clinical phenotypes, including heart defects, immune dysfunction, neurodevelopmental differences, and early-onset dementia risk. Heterogeneity and fragmented data across studies challenge comprehensive research and translational discovery. The NIH INCLUDE (INvestigation of Co-occurring conditions across the Lifespan to Understand Down syndromE) initiative has assembled harmonized participant-level datasets, yet realizing their potential requires integrative analytical frameworks. We developed a knowledge graph-driven platform transforming nine INCLUDE studies, comprising 7,148 participants, 456 conditions, 501 phenotypes, and over 37,000 biospecimens, into a unified semantic infrastructure. Cross-resource enrichment with Monarch Initiative data expands coverage to 4,281 genes and 7,077 variants. The resulting knowledge graph contains over 1.6 million semantic associations, enabling AI-ready analysis with graph embeddings and path-based reasoning for hypothesis generation. Researchers can query the graph via SPARQL or natural language interfaces. This framework converts static data repositories into dynamic discovery environments, supporting cross-study pattern recognition, predictive modeling, and systematic exploration of genotype-phenotype relationships in Down syndrome.
Authors: Andrea Poltronieri, Xavier Serra, Mart\'in Rocamora
Abstract: Audio Chord Estimation (ACE) holds a pivotal role in music information research, having garnered attention for over two decades due to its relevance for music transcription and analysis. Despite notable advancements, challenges persist in the task, particularly concerning unique characteristics of harmonic content, which have resulted in existing systems' performances reaching a glass ceiling. These challenges include annotator subjectivity, where varying interpretations among annotators lead to inconsistencies, and class imbalance within chord datasets, where certain chord classes are over-represented compared to others, posing difficulties in model training and evaluation. As a first contribution, this paper presents an evaluation of inter-annotator agreement in chord annotations, using metrics that extend beyond traditional binary measures. In addition, we propose a consonance-informed distance metric that reflects the perceptual similarity between harmonic annotations. Our analysis suggests that consonance-based distance metrics more effectively capture musically meaningful agreement between annotations. Expanding on these findings, we introduce a novel ACE conformer-based model that integrates consonance concepts into the model through consonance-based label smoothing. The proposed model also addresses class imbalance by separately estimating root, bass, and all note activations, enabling the reconstruction of chord labels from decomposed outputs.
Authors: Einstein Rivas Pizarro, Wajiha Zaheer, Li Yang, Khalil El-Khatib, Glenn Harvel
Abstract: Radiation Detection Systems (RDSs) play a vital role in ensuring public safety across various settings, from nuclear facilities to medical environments. However, these systems are increasingly vulnerable to cyber-attacks such as data injection, man-in-the-middle (MITM) attacks, ICMP floods, botnet attacks, privilege escalation, and distributed denial-of-service (DDoS) attacks. Such threats could compromise the integrity and reliability of radiation measurements, posing significant public health and safety risks. This paper presents a new synthetic radiation dataset and an Intrusion Detection System (IDS) tailored for resource-constrained environments, bringing Machine Learning (ML) predictive capabilities closer to the sensing edge layer of critical infrastructure. Leveraging TinyML techniques, the proposed IDS employs an optimized XGBoost model enhanced with pruning, quantization, feature selection, and sampling. These TinyML techniques significantly reduce the size of the model and computational demands, enabling real-time intrusion detection on low-resource devices while maintaining a reasonable balance between efficiency and accuracy.
Authors: Nathanael Coolidge, Jaime Gonz\'alez Sanz, Li Yang, Khalil El Khatib, Glenn Harvel, Nelson Agbemava, I Putu Susila, Mehmet Yavuz Yagci
Abstract: Radiation Detection Systems (RDSs) are used to measure and detect abnormal levels of radioactive material in the environment. These systems are used in many applications to mitigate threats posed by high levels of radioactive material. However, these systems lack protection against malicious external attacks to modify the data. The novelty of applying Intrusion Detection Systems (IDS) in RDSs is a crucial element in safeguarding these critical infrastructures. While IDSs are widely used in networking environments to safeguard against various attacks, their application in RDSs is novel. A common attack on RDSs is Denial of Service (DoS), where the attacker aims to overwhelm the system, causing malfunctioning RDSs. This paper proposes an efficient Machine Learning (ML)-based IDS to detect anomalies in radiation data, focusing on DoS attacks. This work explores the use of sampling methods to create a simulated DoS attack based on a real radiation dataset, followed by an evaluation of various ML algorithms, including Random Forest, Support Vector Machine (SVM), logistic regression, and Light Gradient-Boosting Machine (LightGBM), to detect DoS attacks on RDSs. LightGBM is emphasized for its superior accuracy and low computational resource consumption, making it particularly suitable for real-time intrusion detection. Additionally, model optimization and TinyML techniques, including feature selection, parallel execution, and random search methods, are used to improve the efficiency of the proposed IDS. Finally, an optimized and efficient LightGBM-based IDS is developed to achieve accurate intrusion detection for RDSs.
Authors: Pedram Fekri, Mehrdad Zadeh, Javad Dargahi
Abstract: Recently, the emergence of multitask deep learning models has enhanced catheterization procedures by providing tactile and visual perception data through an end-to-end architec- ture. This information is derived from a segmentation and force estimation head, which localizes the catheter in X-ray images and estimates the applied pressure based on its deflection within the image. These stereo vision architectures incorporate a CNN- based encoder-decoder that captures the dependencies between X-ray images from two viewpoints, enabling simultaneous 3D force estimation and stereo segmentation of the catheter. With these tasks in mind, this work approaches the problem from a new perspective. We propose a novel encoder-decoder Vision Transformer model that processes two input X-ray images as separate sequences. Given sequences of X-ray patches from two perspectives, the transformer captures long-range dependencies without the need to gradually expand the receptive field for either image. The embeddings generated by both the encoder and decoder are fed into two shared segmentation heads, while a regression head employs the fused information from the decoder for 3D force estimation. The proposed model is a stereo Vision Transformer capable of simultaneously segmenting the catheter from two angles while estimating the generated forces at its tip in 3D. This model has undergone extensive experiments on synthetic X-ray images with various noise levels and has been compared against state-of-the-art pure segmentation models, vision-based catheter force estimation methods, and a multitask catheter segmentation and force estimation approach. It outperforms existing models, setting a new state-of-the-art in both catheter segmentation and force estimation.
Authors: Alix Bouffard, Jane Breen
Abstract: Our work applies reinforcement learning to construct counterexamples concerning conjectured bounds on the spectral radius of the Laplacian matrix of a graph. We expand upon the re-implementation of Wagner's approach by Stevanovic et al. with the ability to train numerous unique models simultaneously and a novel redefining of the action space to adjust the influence of the current local optimum on the learning process.
Authors: Abhinav Kumar, Jaechul Roh, Ali Naseh, Amir Houmansadr, Eugene Bagdasarian
Abstract: AI web agents use Internet resources at far greater speed, scale, and complexity -- changing how users and services interact. Deployed maliciously or erroneously, these agents could overload content providers. At the same time, web agents can bypass CAPTCHAs and other defenses by mimicking user behavior or flood authentication systems with fake accounts. Yet providers must protect their services and content from denial-of-service attacks and scraping by web agents. In this paper, we design a framework that imposes tunable costs on agents before providing access to resources; we call this Web Agent Throttling. We start by formalizing Throttling Gates as challenges issued to an agent that are asymmetric, scalable, robust, and compatible with any agent. Focusing on a common component -- the language model -- we require the agent to solve reasoning puzzles, thereby incurring excessive token-generation costs. However, we find that using existing puzzles, e.g., coding or math, as throttling gates fails to satisfy our properties. To address this, we introduce rebus-based Reasoning Gates, synthetic text puzzles that require multi-hop reasoning over world knowledge (thereby throttling an agent's model). We design a scalable generation and verification protocol for such reasoning gates. Our framework achieves computational asymmetry, i.e., the response-generation cost is 9.2x higher than the generation cost for SOTA models. We further deploy reasoning gates on a custom website and Model Context Protocol (MCP) servers and evaluate with real-world web agents. Finally, we discuss the limitations and environmental impact of real-world deployment of our framework.
Authors: Yifan Chen, Eric Vanden-Eijnden, Jiawei Xu
Abstract: We study the design of interpolation schedules in the stochastic interpolants framework for flow and diffusion-based generative models. We show that while all scalar interpolation schedules achieve identical statistical efficiency under Kullback-Leibler divergence in path space after optimal diffusion coefficient tuning, their numerical efficiency can differ substantially. This observation motivates focusing on numerical properties of the resulting drift fields rather than statistical criteria for schedule design. We propose averaged squared Lipschitzness minimization as a principled criterion for numerical optimization, providing an alternative to kinetic energy minimization used in optimal transport approaches. A transfer formula is derived that enables conversion between different schedules at inference time without retraining neural networks. For Gaussian distributions, our optimized schedules achieve exponential improvements in Lipschitz constants over standard linear schedules, while for Gaussian mixtures, they reduce mode collapse in few-step sampling. We also validate our approach on high-dimensional invariant distributions from stochastic Allen-Cahn equations and Navier-Stokes equations, demonstrating robust performance improvements across resolutions.
Authors: Hind Aljuaid, Areej Alhothali, Ohoud Al-Zamzami, Hussein Assalahi
Abstract: Essay writing is a critical component of student assessment, yet manual scoring is labor-intensive and inconsistent. Automated Essay Scoring (AES) offers a promising alternative, but current approaches face limitations. Recent studies have incorporated Graph Neural Networks (GNNs) into AES using static word embeddings that fail to capture contextual meaning, especially for polysemous words. Additionally, many methods rely on holistic scoring, overlooking specific writing aspects such as grammar, vocabulary, and cohesion. To address these challenges, this study proposes TransGAT, a novel approach that integrates fine-tuned Transformer models with GNNs for analytic scoring. TransGAT combines the contextual understanding of Transformers with the relational modeling strength of Graph Attention Networks (GAT). It performs two-stream predictions by pairing each fine-tuned Transformer (BERT, RoBERTa, and DeBERTaV3) with a separate GAT. In each pair, the first stream generates essay-level predictions, while the second applies GAT to Transformer token embeddings, with edges constructed from syntactic dependencies. The model then fuses predictions from both streams to produce the final analytic score. Experiments on the ELLIPSE dataset show that TransGAT outperforms baseline models, achieving an average Quadratic Weighted Kappa (QWK) of 0.854 across all analytic scoring dimensions. These findings highlight the potential of TransGAT to advance AES systems.
Authors: Yuzhi Yang, Omar Alhussein, M\'erouane Debbah
Abstract: We propose a novel diffusion model, termed the non-identical diffusion model, and investigate its application to wireless orthogonal frequency division multiplexing (OFDM) channel generation. Unlike the standard diffusion model that uses a scalar-valued time index to represent the global noise level, we extend this notion to an element-wise time indicator to capture local error variations more accurately. Non-identical diffusion enables us to characterize the reliability of each element (e.g., subcarriers in OFDM) within the noisy input, leading to improved generation results when the initialization is biased. Specifically, we focus on the recovery of wireless multi-input multi-output (MIMO) OFDM channel matrices, where the initial channel estimates exhibit highly uneven reliability across elements due to the pilot scheme. Conventional time embeddings, which assume uniform noise progression, fail to capture such variability across pilot schemes and noise levels. We introduce a matrix that matches the input size to control element-wise noise progression. Following a similar diffusion procedure to existing methods, we show the correctness and effectiveness of the proposed non-identical diffusion scheme both theoretically and numerically. For MIMO-OFDM channel generation, we propose a dimension-wise time embedding strategy. We also develop and evaluate multiple training and generation methods and compare them through numerical experiments.
Authors: Hong Ye Tan, Stanley Osher, Wuchen Li
Abstract: We consider sampling from a Gibbs distribution by evolving finitely many particles. We propose a preconditioned version of a recently proposed noise-free sampling method, governed by approximating the score function with the numerically tractable score of a regularized Wasserstein proximal operator. This is derived by a Cole--Hopf transformation on coupled anisotropic heat equations, yielding a kernel formulation for the preconditioned regularized Wasserstein proximal. The diffusion component of the proposed method is also interpreted as a modified self-attention block, as in transformer architectures. For quadratic potentials, we provide a discrete-time non-asymptotic convergence analysis and explicitly characterize the bias, which is dependent on regularization and independent of step-size. Experiments demonstrate acceleration and particle-level stability on various log-concave and non-log-concave toy examples to Bayesian total-variation regularized image deconvolution, and competitive/better performance on non-convex Bayesian neural network training when utilizing variable preconditioning matrices.
Authors: Mahdi Soleymani, Tara Javidi
Abstract: We consider the problem of quantitative group testing (QGT), where the goal is to recover a sparse binary vector from aggregate subset-sum queries: each query selects a subset of indices and returns the sum of those entries. Information-theoretic results suggest that adaptivity could yield up to a twofold reduction in the total number of required queries, yet no algorithm has surpassed the non-adaptive bound, leaving its practical benefit an open question. In this paper, we reduce the QGT problem to an integer-vector recovery task whose dimension scales with the sparsity of the original problem rather than its full ambient size. We then formulate this reduced recovery task as an offline reinforcement learning problem and employ Decision Transformers to solve it adaptively. By combining these two steps, we obtain an effective end-to-end method for solving the QGT problem. Our experiments show that, for the first time in the literature, our adaptive algorithm reduces the average number of queries below the well-known non-adaptive information-theoretic bound, demonstrating that adaptivity can indeed reduce the number of queries.
Authors: Parv Kapoor, Akila Ganlath, Changliu Liu, Sebastian Scherer, Eunsuk Kang
Abstract: Recent advances in the development of robotic foundation models have led to promising end-to-end and general-purpose capabilities in robotic systems. These models are pretrained on vast datasets of robot trajectories to process multi- modal inputs and directly output a sequence of action that the system then executes in the real world. Although this approach is attractive from the perspective of im- proved generalization across diverse tasks, these models are still data-driven and, therefore, lack explicit notions of behavioral correctness and safety constraints. We address these limitations by introducing a constrained decoding framework for robotics foundation models that enforces logical constraints on action trajec- tories in dynamical systems. Our method ensures that generated actions provably satisfy signal temporal logic (STL) specifications at runtime without retraining, while remaining agnostic of the underlying foundation model. We perform com- prehensive evaluation of our approach across state-of-the-art navigation founda- tion models and we show that our decoding-time interventions are useful not only for filtering unsafe actions but also for conditional action-generation. Videos available on our website: https://constrained-robot-fms.github.io
Authors: Darius A. Faroughy, Manfred Opper, Cesar Ojeda
Abstract: Generative modeling of high-energy collisions at the Large Hadron Collider (LHC) offers a data-driven route to simulations, anomaly detection, among other applications. A central challenge lies in the hybrid nature of particle-cloud data: each particle carries continuous kinematic features and discrete quantum numbers such as charge and flavor. We introduce a transformer-based multimodal flow that extends flow-matching with a continuous-time Markov jump bridge to jointly model LHC jets with both modalities. Trained on CMS Open Data, our model can generate high fidelity jets with realistic kinematics, jet substructure and flavor composition.
Authors: Alokit Mishra, Ryyan Akhtar
Abstract: This paper presents a comparative analysis of machine learning methodologies for automatic music genre classification. We evaluate the performance of classical classifiers, including Support Vector Machines (SVM) and ensemble methods, trained on a comprehensive set of hand-crafted audio features, against a Convolutional Neural Network (CNN) operating on Mel spectrograms. The study is conducted on the widely-used GTZAN dataset. Our findings demonstrate a noteworthy result: the SVM, leveraging domain-specific feature engineering, achieves superior classification accuracy compared to the end-to-end CNN model. We attribute this outcome to the data-constrained nature of the benchmark dataset, where the strong inductive bias of engineered features provides a regularization effect that mitigates the risk of overfitting inherent in high-capacity deep learning models. This work underscores the enduring relevance of traditional feature extraction in practical audio processing tasks and provides a critical perspective on the universal applicability of deep learning, especially for moderately sized datasets.
Authors: Sarayu Sirikonda, Jasper van de Kreeke
Abstract: In this paper, we propose a hybrid framework that heals corrupted finite semigroups, combining deterministic repair strategies with Machine Learning using a Random Forest Classifier. Corruption in these tables breaks associativity and invalidates the algebraic structure. Deterministic methods work for small cardinality n and low corruption but degrade rapidly. Our experiments, carried out on Mace4-generated data sets, demonstrate that our hybrid framework achieves higher healing rates than deterministic-only and ML-only baselines. At a corruption percentage of p=15%, our framework healed 95% of semigroups up to cardinality n=6 and 60% at n=10.
Authors: David R. Burt, Renato Berlinghieri, Tamara Broderick
Abstract: Scientists are often interested in estimating an association between a covariate and a binary- or count-valued response. For instance, public health officials are interested in how much disease presence (a binary response per individual) varies as temperature or pollution (covariates) increases. Many existing methods can be used to estimate associations, and corresponding uncertainty intervals, but make unrealistic assumptions in the spatial domain. For instance, they incorrectly assume models are well-specified. Or they assume the training and target locations are i.i.d. -- whereas in practice, these locations are often not even randomly sampled. Some recent work avoids these assumptions but works only for continuous responses with spatially constant noise. In the present work, we provide the first confidence intervals with guaranteed asymptotic nominal coverage for spatial associations given discrete responses, even under simultaneous model misspecification and nonrandom sampling of spatial locations. To do so, we demonstrate how to handle spatially varying noise, provide a novel proof of consistency for our proposed estimator, and use a delta method argument with a Lyapunov central limit theorem. We show empirically that standard approaches can produce unreliable confidence intervals and can even get the sign of an association wrong, while our method reliably provides correct coverage.
Authors: Andrea Andrisani, Gennaro Vessio, Fabrizio Sgobba, Francesco Di Lena, Luigi Amato Santamaria, Giovanna Castellano
Abstract: Quantum optical neurons (QONs) are emerging as promising computational units that leverage photonic interference to perform neural operations in an energy-efficient and physically grounded manner. Building on recent theoretical proposals, we introduce a family of QON architectures based on Hong-Ou-Mandel (HOM) and Mach-Zehnder (MZ) interferometers, incorporating different photon modulation strategies -- phase, amplitude, and intensity. These physical setups yield distinct pre-activation functions, which we implement as fully differentiable modules in software. We evaluate these QONs both in isolation and as building blocks of multilayer networks, training them on binary and multiclass image classification tasks using the MNIST and FashionMNIST datasets. Our experiments show that two configurations -- HOM-based amplitude modulation and MZ-based phase-shifted modulation -- achieve performance comparable to that of classical neurons in several settings, and in some cases exhibit faster or more stable convergence. In contrast, intensity-based encodings display greater sensitivity to distributional shifts and training instabilities. These results highlight the potential of QONs as efficient and scalable components for future quantum-inspired neural architectures and hybrid photonic-electronic systems.
Authors: Pedro Cavestany (STFC Hartree Centre), Alasdair Ross (STFC Hartree Centre), Adriano Agnello (STFC Hartree Centre), Aran Garrod (STFC Hartree Centre), Nicola C. Amorisco (UK Atomic Energy Authority), George K. Holt (STFC Hartree Centre), Kamran Pentland (UK Atomic Energy Authority), James Buchanan (UK Atomic Energy Authority)
Abstract: Machine learning has recently been adopted to emulate sensitivity matrices for real-time magnetic control of tokamak plasmas. However, these approaches would benefit from a quantification of possible inaccuracies. We report on two aspects of real-time applicability of emulators. First, we quantify the agreement of target displacement from VCs computed via Jacobians of the shape emulators with those from finite differences Jacobians on exact Grad-Shafranov solutions. Good agreement ($\approx$5-10%) can be achieved on a selection of geometric targets using combinations of neural network emulators with $\approx10^5$ parameters. A sample of $\approx10^{5}-10^{6}$ synthetic equilibria is essential to train emulators that are not over-regularised or overfitting. Smaller models trained on the shape targets may be further fine-tuned to better fit the Jacobians. Second, we address the effect of vessel currents that are not directly measured in real-time and are typically subsumed into effective "shaping currents" when designing virtual circuits. We demonstrate that shaping currents can be inferred via simple linear regression on a trailing window of active coil current measurements with residuals of only a few Amp\`eres, enabling a choice for the most appropriate shaping currents at any point in a shot. While these results are based on historic shot data and simulations tailored to MAST-U, they indicate that emulators with few-millisecond latency can be developed for robust real-time plasma shape control in existing and upcoming tokamaks.
Authors: Andong Hua, Kenan Tang, Chenhe Gu, Jindong Gu, Eric Wong, Yao Qin
Abstract: Prompt sensitivity, referring to the phenomenon where paraphrasing (i.e., repeating something written or spoken using different words) leads to significant changes in large language model (LLM) performance, has been widely accepted as a core limitation of LLMs. In this work, we revisit this issue and ask: Is the widely reported high prompt sensitivity truly an inherent weakness of LLMs, or is it largely an artifact of evaluation processes? To answer this question, we systematically evaluate 7 LLMs (e.g., GPT and Gemini family) across 6 benchmarks, including both multiple-choice and open-ended tasks on 12 diverse prompt templates. We find that much of the prompt sensitivity stems from heuristic evaluation methods, including log-likelihood scoring and rigid answer matching, which often overlook semantically correct responses expressed through alternative phrasings, such as synonyms or paraphrases. When we adopt LLM-as-a-Judge evaluations, we observe a substantial reduction in performance variance and a consistently higher correlation in model rankings across prompts. Our findings suggest that modern LLMs are more robust to prompt templates than previously believed, and that prompt sensitivity may be more an artifact of evaluation than a flaw in the models.
Authors: Mario U. Gaimann, Miriam Klopotek
Abstract: Reservoir computing (RC) is a state-of-the-art machine learning method that makes use of the power of dynamical systems (the reservoir) for real-time inference. When using biological complex systems as reservoir substrates, it serves as a testbed for basic questions about bio-inspired computation -- of how self-organization generates proper spatiotemporal patterning. Here, we use a simulation of an active matter system, driven by a chaotically moving input signal, as a reservoir. So far, it has been unclear whether such complex systems possess the capacity to process information efficiently and independently of the method by which it was introduced. We find that when switching from a repulsive to an attractive driving force, the system completely changes the way it computes, while the predictive performance landscapes remain nearly identical. The nonlinearity of the driver's injection force improves computation by decoupling the single-agent dynamics from that of the driver. Triggered are the (re-)growth, deformation, and active motion of smooth structural boundaries (interfaces), and the emergence of coherent gradients in speed -- features found in many soft materials and biological systems. The nonlinear driving force activates emergent regulatory mechanisms, which manifest enhanced morphological and dynamic diversity -- arguably improving fading memory, nonlinearity, expressivity, and thus, performance. We further perform RC in a broad variety of non-equilibrium active matter phases that arise when tuning internal (repulsive) forces for information transfer. Overall, we find that active matter agents forming liquid droplets are particularly well suited for RC. The consistently convex shape of the predictive performance landscapes, together with the observed phenomenological richness, conveys robustness and adaptivity.
Authors: Youssef Chaabouni, David Gamarnik
Abstract: We consider the problem of recovering the support of a sparse signal using noisy projections. While extensive work has been done on the dense measurement matrix setting, the sparse setting remains less explored. In this work, we establish sufficient conditions on the sample size for successful sparse recovery using sparse measurement matrices. Bringing together our result with previously known necessary conditions, we discover that, in the regime where $ds/p \rightarrow +\infty$, sparse recovery in the sparse setting exhibits a phase transition at an information-theoretic threshold of $n_{\text{INF}}^{\text{SP}} = \Theta\left(s\log\left(p/s\right)/\log\left(ds/p\right)\right)$, where $p$ denotes the signal dimension, $s$ the number of non-zero components of the signal, and $d$ the expected number of non-zero components per row of measurement. This expression makes the price of sparsity explicit: restricting each measurement to $d$ non-zeros inflates the required sample size by a factor of $\log{s}/\log\left(ds/p\right)$, revealing a precise trade-off between sampling complexity and measurement sparsity. Additionally, we examine the effect of sparsifying an originally dense measurement matrix on sparse signal recovery. We prove in the regime of $s = \alpha p$ and $d = \psi p$ with $\alpha, \psi \in \left(0,1\right)$ and $\psi$ small that a sample of size $n^{\text{Sp-ified}}_{\text{INF}} = \Theta\left(p / \psi^2\right)$ is sufficient for recovery, subject to a certain uniform integrability conjecture, the proof of which is work in progress.
Authors: Ernesto Acosta, Guillermo Botella, Carlos Cano
Abstract: Quantum annealers provide an effective framework for solving large-scale combinatorial optimization problems. This work presents a novel methodology for training Variational Quantum Algorithms (VQAs) by reformulating the parameter optimization task as a Quadratic Unconstrained Binary Optimization (QUBO) problem. Unlike traditional gradient-based methods, our approach directly leverages the Hamiltonian of the chosen VQA ansatz and employs an adaptive, metaheuristic optimization scheme. This optimization strategy provides a rich set of configurable parameters which enables the adaptation to specific problem characteristics and available computational resources. The proposed framework is generalizable to arbitrary Hamiltonians and integrates a recursive refinement strategy to progressively approximate high-quality solutions. Experimental evaluations demonstrate the feasibility of the method and its ability to significantly reduce computational overhead compared to classical and evolutionary optimizers, while achieving comparable or superior solution quality. These findings suggest that quantum annealers can serve as a scalable alternative to classical optimizers for VQA training, particularly in scenarios affected by barren plateaus and noisy gradient estimates, and open new possibilities for hybrid quantum gate - quantum annealing - classical optimization models in near-term quantum computing.
Authors: Md Mahbub Alam, Jose F. Rodrigues-Jr, Gabriel Spadon
Abstract: Accurate vessel trajectory prediction is essential for enhancing situational awareness and preventing collisions. Still, existing data-driven models are constrained mainly to single-vessel forecasting, overlooking vessel interactions, navigation rules, and explicit collision risk assessment. We present a transformer-based framework for multi-vessel trajectory prediction with integrated collision risk analysis. For a given target vessel, the framework identifies nearby vessels. It jointly predicts their future trajectories through parallel streams encoding kinematic and derived physical features, causal convolutions for temporal locality, spatial transformations for positional encoding, and hybrid positional embeddings that capture both local motion patterns and long-range dependencies. Evaluated on large-scale real-world AIS data using joint multi-vessel metrics, the model demonstrates superior forecasting capabilities beyond traditional single-vessel displacement errors. By simulating interactions among predicted trajectories, the framework further quantifies potential collision risks, offering actionable insights to strengthen maritime safety and decision support.
Authors: Xiucheng Wang, Qiming Zhang, Nan Cheng
Abstract: Accurate localization of non-cooperative signal sources in non-line-of-sight (NLoS) environments remains a critical challenge with a wide range of applications, including autonomous navigation, industrial automation, and emergency response. In such settings, traditional positioning techniques relying on line-of-sight (LoS) or cooperative signaling fail due to severe multipath propagation and unknown transmit power. This paper proposes a novel generative inference framework for NLoS localization based on conditional diffusion models. By leveraging the physical insight that diffracted electromagnetic energy concentrates near building edges, we develop a sampling strategy that collects sparse received signal strength (RSS) measurements at the geometric vertices of obstacles--locations that maximize Fisher information and mutual information with respect to the unknown source. To overcome the lack of known transmission power, we normalize all sampled RSS values relative to the maximum observed intensity, enabling the construction of a power-invariant radio map (RM). A conditional diffusion model is trained to reconstruct the full RM based on environmental layout and sparse RSS observations. Localization is then achieved by identifying the brightest point on the generated RM. Moreover, the proposed framework is compatible with existing RSS-based localization algorithms, enabling a dual-driven paradigm that fuses physical knowledge and data-driven inference for improved accuracy. Extensive theoretical analysis and empirical validation demonstrate that our approach achieves high localization accuracy with significantly reduced sampling cost, offering a scalable and physically grounded solution for non-cooperative NLoS emitter localization.
Authors: Scarlett Raine, Tobias Fischer
Abstract: Marine ecosystems face increasing pressure due to climate change, driving the need for scalable, AI-powered monitoring solutions. This paper examines the rapid emergence of underwater AI as a major research frontier and analyzes the factors that have transformed marine perception from a niche application into a catalyst for AI innovation. We identify three convergent drivers: environmental necessity for ecosystem-scale monitoring, democratization of underwater datasets through citizen science platforms, and researcher migration from saturated terrestrial computer vision domains. Our analysis reveals how unique underwater challenges - turbidity, cryptic species detection, expert annotation bottlenecks, and cross-ecosystem generalization - are driving fundamental advances in weakly supervised learning, open-set recognition, and robust perception under degraded conditions. We survey emerging trends in datasets, scene understanding and 3D reconstruction, highlighting the paradigm shift from passive observation toward AI-driven, targeted intervention capabilities. The paper demonstrates how underwater constraints are pushing the boundaries of foundation models, self-supervised learning, and perception, with methodological innovations that extend far beyond marine applications to benefit general computer vision, robotics, and environmental monitoring.
Authors: Aman Gupta, Aditi Sheshadri, Dhruv Suri
Abstract: Seven state-of-the-art AI weather models (FourCastNet, FourCastNet-SFNO, Pangu-Weather, GraphCast, Aurora, AIFS, and GenCast) are evaluated against observational data during the South Asian Monsoon. The models are tested on temperature, winds, global kinetic energy spectrum, regional precipitation, cloud cover, cyclone trajectory prediction, and hyperlocal predictions around extreme weather events. The models forecast large-scale dynamics with reasonable accuracy, but fall short on key metrics critical to Monsoon-time weather prediction. The models exhibit substantially higher errors when compared against ground-based weather station data than against reanalysis or conventional forecasts. The AI weather prediction models show key differences in mesoscale kinetic energy and extreme precipitation during the Monsoon, and predict markedly different Monsoon-time cyclone trajectories over the Indian subcontinent, raising questions about their readiness for operational applications. Our analysis finds that ECMWF's deterministic AIFS model offers the most reliable performance and usability, with GraphCast and GenCast being close seconds.
Authors: Haijie Xu, Chen Zhang
Abstract: We study the problem of experimental design for accurately identifying the causal graph structure of a simple structural causal model (SCM), where the underlying graph may include both cycles and bidirected edges induced by latent confounders. The presence of cycles renders it impossible to recover the graph skeleton using observational data alone, while confounding can further invalidate traditional conditional independence (CI) tests in certain scenarios. To address these challenges, we establish lower bounds on both the maximum number of variables that can be intervened upon in a single experiment and the total number of experiments required to identify all directed edges and non-adjacent bidirected edges. Leveraging both CI tests and do see tests, and accounting for $d$ separation and $\sigma$ separation, we develop two classes of algorithms, i.e., bounded and unbounded, that can recover all causal edges except for double adjacent bidirected edges. We further show that, up to logarithmic factors, the proposed algorithms are tight with respect to the derived lower bounds.
Authors: Yilin Guan, Wenyue Hua, Qingfeng Lan, Sun Fei, Dujian Ding, Devang Acharya, Chi Wang, William Yang Wang
Abstract: Despite their remarkable success in complex tasks propelling widespread adoption, large language-model-based agents still face critical deployment challenges due to prohibitive latency and inference costs. While recent work has explored various methods to accelerate inference, existing approaches suffer from significant limitations: they either fail to preserve performance fidelity, require extensive offline training of router modules, or incur excessive operational costs. Moreover, they provide minimal user control over the tradeoff between acceleration and other performance metrics. To address these gaps, we introduce Dynamic Speculative Planning (DSP), an asynchronous online reinforcement learning framework that provides lossless acceleration with substantially reduced costs without requiring additional pre-deployment preparation. DSP explicitly optimizes a joint objective balancing end-to-end latency against dollar cost, allowing practitioners to adjust a single parameter that steers the system toward faster responses, cheaper operation, or any point along this continuum. Experiments on two standard agent benchmarks demonstrate that DSP achieves comparable efficiency to the fastest lossless acceleration method while reducing total cost by 30% and unnecessary cost up to 60%. Our code and data are available through https://github.com/guanyilin428/Dynamic-Speculative-Planning.
URLs: https://github.com/guanyilin428/Dynamic-Speculative-Planning.
Authors: Sakshi Arya, Wentao Lin
Abstract: Sequential decision-making is central to sustainable agricultural management and precision agriculture, where resource inputs must be optimized under uncertainty and over time. However, such decisions must often be made with limited observations, whereas classical bandit and reinforcement learning approaches typically rely on either linear or black-box reward models that may misrepresent domain knowledge or require large amounts of data. We propose a family of nonlinear, model-based bandit algorithms that embed domain-specific response curves directly into the exploration-exploitation loop. By coupling (i) principled uncertainty quantification with (ii) closed-form or rapidly computable profit optima, these algorithms achieve sublinear regret and near-optimal sample complexity while preserving interpretability. Theoretical analysis establishes regret and sample complexity bounds, and extensive simulations emulating real-world fertilizer-rate decisions show consistent improvements over both linear and nonparametric baselines (such as linear UCB and $k$-NN UCB) in the low-sample regime, under both well-specified and shape-compatible misspecified models. Because our approach leverages mechanistic insight rather than large data volumes, it is especially suited to resource-constrained settings, supporting sustainable, inclusive, and transparent sequential decision-making across agriculture, environmental management, and allied applications. This methodology directly contributes to SDG 2 (Zero Hunger) and SDG 12 (Responsible Consumption and Production) by enabling data-driven, less wasteful agricultural practices.
Authors: Jonathn Chang, Leonard Piff, Suvadip Sana, Jasmine X. Li, Lionel Levine
Abstract: Aligning AI with human values is a pressing unsolved problem. To address the lack of quantitative metrics for value alignment, we propose EigenBench: a black-box method for comparatively benchmarking language models' values. Given an ensemble of models, a constitution describing a value system, and a dataset of scenarios, our method returns a vector of scores quantifying each model's alignment to the given constitution. To produce these scores, each model judges the outputs of other models across many scenarios, and these judgments are aggregated with EigenTrust (Kamvar et al, 2003), yielding scores that reflect a weighted-average judgment of the whole ensemble. EigenBench uses no ground truth labels, as it is designed to quantify traits for which reasonable judges may disagree on the correct label. Using prompted personas, we test whether EigenBench scores are more sensitive to the model or the prompt: we find that most of the variance is explained by the prompt, but a small residual quantifies the disposition of the model itself.
Authors: Haiqing Zhu, Lexing Xie, Yun Kuen Cheung
Abstract: The prevalence of low-quality content on online platforms is often attributed to the absence of meaningful entry requirements. This motivates us to investigate whether implicit or explicit entry barriers, alongside appropriate reward mechanisms, can enhance content quality. We present the first game-theoretic analysis of two distinct types of entry barriers in online content platforms. The first, a structural barrier, emerges from the collective behaviour of incumbent content providers which disadvantages new entrants. We show that both rank-order and proportional-share reward mechanisms induce such a structural barrier at Nash equilibrium. The second, a strategic barrier, involves the platform proactively imposing entry fees to discourage participation from low-quality contributors. We consider a scheme in which the platform redirects some or all of the entry fees into the reward pool. We formally demonstrate that this approach can improve overall content quality. Our findings establish a theoretical foundation for designing reward mechanisms coupled with entry fees to promote higher-quality content and support healthier online ecosystems.
Authors: Nirmalya Thakur, Madeline D Hartel, Lane Michael Boden, Dallas Enriquez, Boston Joyner Ricks
Abstract: This work investigated about 10,000 COVID-19-related YouTube videos published between January 2023 and October 2024 to evaluate how temporal, lexical, linguistic, and structural factors influenced engagement during the late pandemic period. Publishing activity showed consistent weekday effects: in the first window, average views peaked on Mondays at 92,658; in the second, on Wednesdays at 115,479; and in the third, on Fridays at 84,874, reflecting a shift in audience attention toward mid- and late week. Lexical analysis of video titles revealed recurring high-frequency keywords related to COVID-19 and YouTube features, including COVID, coronavirus, shorts, and live. Frequency analysis revealed sharp spikes, with COVID appearing in 799 video titles in August 2024, while engagement analysis showed that videos titled with shorts attracted very high views, peaking at 2.16 million average views per video in June 2023. Analysis of sentiment of video descriptions in English showed weak correlation with views in the raw data (Pearson r = 0.0154, p = 0.2987), but stronger correlations emerged once outliers were addressed, with Spearman r = 0.110 (p < 0.001) and Pearson r = 0.0925 (p < 0.001). Category-level analysis of video durations revealed contrasting outcomes: long videos focusing on people and blogs averaged 209,114 views, short entertainment videos averaged 288,675 views, and medium-to-long news and politics videos averaged 51,309 and 59,226 views, respectively. These results demonstrate that engagement patterns of COVID-19-related videos on YouTube during the late pandemic followed distinct characteristics driven by publishing schedules, title vocabulary, topics, and genre-specific duration effects.
Authors: Hiroshi Sasaki
Abstract: Multimodal models, such as the Contrastive Language-Image Pre-training (CLIP) model, have demonstrated remarkable success in aligning visual and linguistic representations. However, these models exhibit limitations when applied to specialised visual domains, such as diagrams, which encode structured, symbolic information distinct from that of natural imagery. In this paper, we introduce a novel training paradigm explicitly designed to enhance the comprehension of diagrammatic images within vision-language models. Our approach uses ``hard'' samples for our proposed contrastive learning that incorporates two specialised loss functions that leverage the inherent structural properties of diagrams. By integrating these objectives into model training, our method enables models to develop a more structured and semantically coherent understanding of diagrammatic content. We empirically validate our approach on a benchmark dataset of flowcharts, as a representative class of diagrammatic imagery, demonstrating substantial improvements over standard CLIP and conventional hard negative CLIP learning paradigms for both image-text matching and visual question answering tasks. Our findings underscore the significance of tailored training strategies for specialised tasks and contribute to advancing diagrammatic understanding within the broader landscape of vision-language integration.
Authors: Naval Shah
Abstract: In response to recent FIA regulations reducing Formula 1 team wind tunnel hours (from 320 hours for last-place teams to 200 hours for championship leaders) and strict budget caps of 135 million USD per year, more efficient aerodynamic development tools are needed by teams. Conventional computational fluid dynamics (CFD) simulations, though offering high fidelity results, require large computational resources with typical simulation durations of 8-24 hours per configuration analysis. This article proposes a Physics-Informed Neural Network (PINN) for the fast prediction of Formula 1 front wing aerodynamic coefficients. The suggested methodology combines CFD simulation data from SimScale with first principles of fluid dynamics through a hybrid loss function that constrains both data fidelity and physical adherence based on Navier-Stokes equations. Training on force and moment data from 12 aerodynamic features, the PINN model records coefficient of determination (R-squared) values of 0.968 for drag coefficient and 0.981 for lift coefficient prediction while lowering computational time. The physics-informed framework guarantees that predictions remain adherent to fundamental aerodynamic principles, offering F1 teams an efficient tool for the fast exploration of design space within regulatory constraints.
Authors: Stanley Mugisha, Rashid Kisitu, Francis Komakech, Excellence Favor
Abstract: Preterm birth remains a leading cause of neonatal mortality, disproportionately affecting low-resource settings with limited access to advanced neonatal intensive care units (NICUs).Continuous monitoring of infant behavior, such as sleep/awake states and crying episodes, is critical but relies on manual observation or invasive sensors, which are prone to error, impractical, and can cause skin damage. This paper presents a novel, noninvasive, and automated vision-based framework to address this gap. We introduce an embedded monitoring system that utilizes a quantized MobileNet model deployed on a Raspberry Pi for real-time behavioral state detection. When trained and evaluated on public neonatal image datasets, our system achieves state-of-the-art accuracy (91.8% for sleep detection and 97.7% for crying/normal classification) while maintaining computational efficiency suitable for edge deployment. Through comparative benchmarking, we provide a critical analysis of the trade-offs between model size, inference latency, and diagnostic accuracy. Our findings demonstrate that while larger architectures (e.g., ResNet152, VGG19) offer marginal gains in accuracy, their computational cost is prohibitive for real-time edge use. The proposed framework integrates three key innovations: model quantization for memory-efficient inference (68% reduction in size), Raspberry Pi-optimized vision pipelines, and secure IoT communication for clinical alerts. This work conclusively shows that lightweight, optimized models such as the MobileNet offer the most viable foundation for scalable, low-cost, and clinically actionable NICU monitoring systems, paving the way for improved preterm care in resource-constrained environments.
Authors: Nuno Costa, Julija Zavadlav
Abstract: Peptide self-assembly prediction offers a powerful bottom-up strategy for designing biocompatible, low-toxicity materials for large-scale synthesis in a broad range of biomedical and energy applications. However, screening the vast sequence space for categorization of aggregate morphology remains intractable. We introduce PepMorph, an end-to-end peptide discovery pipeline that generates novel sequences that are not only prone to aggregate but self-assemble into a specified fibrillar or spherical morphology. We compiled a new dataset by leveraging existing aggregation propensity datasets and extracting geometric and physicochemical isolated peptide descriptors that act as proxies for aggregate morphology. This dataset is then used to train a Transformer-based Conditional Variational Autoencoder with a masking mechanism, which generates novel peptides under arbitrary conditioning. After filtering to ensure design specifications and validation of generated sequences through coarse-grained molecular dynamics simulations, PepMorph yielded 83% accuracy in intended morphology generation, showcasing its promise as a framework for application-driven peptide discovery.
Authors: Davide Ghio, Fabrizio Boncoraglio, Lenka Zdeborov\'a
Abstract: Stochastic processes on graphs are a powerful tool for modelling complex dynamical systems such as epidemics. A recent line of work focused on the inference problem where one aims to estimate the state of every node at every time, starting from partial observation of a subset of nodes at a subset of times. In these works, the initial state of the process was assumed to be random i.i.d. over nodes. Such an assumption may not be realistic in practice, where one may have access to a set of covariate variables for every node that influence the initial state of the system. In this work, we will assume that the initial state of a node is an unknown function of such covariate variables. Given that functions can be represented by neural networks, we will study a model where the initial state is given by a simple neural network -- notably the single-layer perceptron acting on the known node-wise covariate variables. Within a Bayesian framework, we study how such neural-network prior information enhances the recovery of initial states and spreading trajectories. We derive a hybrid belief propagation and approximate message passing (BP-AMP) algorithm that handles both the spreading dynamics and the information included in the node covariates, and we assess its performance against the estimators that either use only the spreading information or use only the information from the covariate variables. We show that in some regimes, the model can exhibit first-order phase transitions when using a Rademacher distribution for the neural-network weights. These transitions create a statistical-to-computational gap where even the BP-AMP algorithm, despite the theoretical possibility of perfect recovery, fails to achieve it.
Authors: Refat Othman, Diaeddin Rimawi, Bruno Rossi, Barbara Russo
Abstract: In the domain of security, vulnerabilities frequently remain undetected even after their exploitation. In this work, vulnerabilities refer to publicly disclosed flaws documented in Common Vulnerabilities and Exposures (CVE) reports. Establishing a connection between attacks and vulnerabilities is essential for enabling timely incident response, as it provides defenders with immediate, actionable insights. However, manually mapping attacks to CVEs is infeasible, thereby motivating the need for automation. This paper evaluates 14 state-of-the-art (SOTA) sentence transformers for automatically identifying vulnerabilities from textual descriptions of attacks. Our results demonstrate that the multi-qa-mpnet-base-dot-v1 (MMPNet) model achieves superior classification performance when using attack Technique descriptions, with an F1-score of 89.0, precision of 84.0, and recall of 94.7. Furthermore, it was observed that, on average, 56% of the vulnerabilities identified by the MMPNet model are also represented within the CVE repository in conjunction with an attack, while 61% of the vulnerabilities detected by the model correspond to those cataloged in the CVE repository. A manual inspection of the results revealed the existence of 275 predicted links that were not documented in the MITRE repositories. Consequently, the automation of linking attack techniques to vulnerabilities not only enhances the detection and response capabilities related to software security incidents but also diminishes the duration during which vulnerabilities remain exploitable, thereby contributing to the development of more secure systems.
Authors: Guillaume O. Berger, Rapha\"el M. Jungers
Abstract: We consider the problem of repetitive scenario design where one has to solve repeatedly a scenario design problem and can adjust the sample size (number of scenarios) to obtain a desired level of risk (constraint violation probability). We propose an approach to learn on the fly the optimal sample size based on observed data consisting in previous scenario solutions and their risk level. Our approach consists in learning a function that represents the pdf (probability density function) of the risk as a function of the sample size. Once this function is known, retrieving the optimal sample size is straightforward. We prove the soundness and convergence of our approach to obtain the optimal sample size for the class of fixed-complexity scenario problems, which generalizes fully-supported convex scenario programs that have been studied extensively in the scenario optimization literature. We also demonstrate the practical efficiency of our approach on a series of challenging repetitive scenario design problems, including non-fixed-complexity problems, nonconvex constraints and time-varying distributions.
Authors: Sheng Ye, Jiyu Li, Yifan Chai, Lin Liu, Murugesu Sivapalan, Qihua Ran
Abstract: Explainable artificial intelligence (XAI) methods have been applied to interpret deep learning model results. However, applications that integrate XAI with established hydrologic knowledge for process understanding remain limited. Here we present a framework that apply XAI method at point-scale to provide granular interpretation and enable cross-scale aggregation of hydrologic responses. Hydrologic connectivity is used as a demonstration of the value of this approach. Soil moisture and its movement generated by physically based hydrologic model were used to train a long short-term memory (LSTM) network, whose impacts of inputs were evaluated by XAI methods. Our results suggest that XAI-based classification can effectively identify the differences in the functional roles of various sub-regions at watershed scale. The aggregated XAI results provide an explicit and quantitative indicator of hydrologic connectivity development, offering insights to streamflow variation. This framework could be used to facilitate aggregation of other hydrologic responses to advance process understandings.
Authors: Andrea Eirale, Matteo Leonetti, Marcello Chiaberge
Abstract: Social robotic navigation has been at the center of numerous studies in recent years. Most of the research has focused on driving the robotic agent along obstacle-free trajectories, respecting social distances from humans, and predicting their movements to optimize navigation. However, in order to really be socially accepted, the robots must be able to attain certain social norms that cannot arise from conventional navigation, but require a dedicated learning process. We propose Heuristic Planning with Learned Social Value (HPLSV), a method to learn a value function encapsulating the cost of social navigation, and use it as an additional heuristic in heuristic-search path planning. In this preliminary work, we apply the methodology to the common social scenario of joining a queue of people, with the intention of generalizing to further human activities.
Authors: Asif Mohammed Saad, Umme Niraj Mahi
Abstract: Hair artifacts in dermoscopic images present significant challenges for accurate skin lesion analysis, potentially obscuring critical diagnostic features in dermatological assessments. This work introduces a fine-tuned SegFormer model augmented with dropout regularization to achieve precise hair mask segmentation. The proposed SegformerWithDropout architecture leverages the MiT-B2 encoder, pretrained on ImageNet, with an in-channel count of 3 and 2 output classes, incorporating a dropout probability of 0.3 in the segmentation head to prevent overfitting. Training is conducted on a specialized dataset of 500 dermoscopic skin lesion images with fine-grained hair mask annotations, employing 10-fold cross-validation, AdamW optimization with a learning rate of 0.001, and cross-entropy loss. Early stopping is applied based on validation loss, with a patience of 3 epochs and a maximum of 20 epochs per fold. Performance is evaluated using a comprehensive suite of metrics, including Intersection over Union (IoU), Dice coefficient, Peak Signal-to-Noise Ratio (PSNR), Structural Similarity Index (SSIM), and Learned Perceptual Image Patch Similarity (LPIPS). Experimental results from the cross-validation demonstrate robust performance, with average Dice coefficients reaching approximately 0.96 and IoU values of 0.93, alongside favorable PSNR (around 34 dB), SSIM (0.97), and low LPIPS (0.06), highlighting the model's effectiveness in accurate hair artifact segmentation and its potential to enhance preprocessing for downstream skin cancer detection tasks.
Authors: Yevhen Havrylenko, Meelis K\"a\"arik, Artur Tuttar
Abstract: Actuarial ratemaking depends on high-quality data, yet access to such data is often limited by the cost of obtaining new data, privacy concerns, etc. In this paper, we explore synthetic-data generation as a potential solution to these issues. In addition to discussing generative methods previously studied in the actuarial literature, we introduce to the insurance community another approach based on Multiple Imputation by Chained Equations (MICE). We present a comparative study using an open-source dataset and evaluating MICE-based models against other generative models like Variational Autoencoders and Conditional Tabular Generative Adversarial Networks. We assess how well synthetic data preserves the original marginal distributions of variables as well as the multivariate relationships among covariates. We also investigate the consistency between Generalized Linear Models (GLMs) trained on synthetic data with GLMs trained on the original data. Furthermore, we assess the ease of use of each generative approach and study the impact of augmenting original data with synthetic data on the performance of GLMs for predicting claim counts. Our results highlight the potential of MICE-based methods in creating high-quality tabular data while being more user-friendly than the other methods.
Authors: Nils Hoehing, Mayug Maniparambil, Ellen Rushe, Noel E. O'Connor, Anthony Ventresque
Abstract: We propose RocketScience, an open-source contrastive VLM benchmark that tests for spatial relation understanding. It is comprised of entirely new real-world image-text pairs covering mostly relative spatial understanding and the order of objects. The benchmark is designed to be very easy for humans and hard for the current generation of VLMs, and this is empirically verified. Our results show a striking lack of spatial relation understanding in open source and frontier commercial VLMs and a surprisingly high performance of reasoning models. Additionally, we perform a disentanglement analysis to separate the contributions of object localization and spatial reasoning in chain-of-thought-based models and find that the performance on the benchmark is bottlenecked by spatial reasoning and not object localization capabilities. We release the dataset with a CC-BY-4.0 license and make the evaluation code available at: https://github.com/nilshoehing/rocketscience
Authors: Khalid Daud Khattak, Muhammad A. Choudhry
Abstract: In this paper, we present a data-driven Forward Selection with Neighborhood Refinement (FSNR) algorithm to determine the number and placement of Phasor Measurement Units (PMUs) for maximizing deep-learning-based fault diagnosis performance. Candidate PMU locations are ranked via a cross-validated Support Vector Machine (SVM) classifier, and each selection is refined through local neighborhood exploration to produce a near-optimal sensor set. The resulting PMU subset is then supplied to a 1D Convolutional Neural Network (CNN) for faulted-line localization and fault-type classification from time-series measurements. Evaluation on modified IEEE 34- and IEEE 123-bus systems demonstrates that the proposed FSNR-SVM method identifies a minimal PMU configuration that achieves the best overall CNN performance, attaining over 96 percent accuracy in fault location and over 99 percent accuracy in fault-type classification on the IEEE 34 system, and approximately 94 percent accuracy in fault location and around 99.8 percent accuracy in fault-type classification on the IEEE 123 system.
Authors: Jannick Kehls, Ellen Kuhl, Tim Brepols, Kevin Linka, Hagen Holthusen
Abstract: We propose a non-intrusive, Autoencoder-based framework for reduced-order modeling in continuum mechanics. Our method integrates three stages: (i) an unsupervised Autoencoder compresses high-dimensional finite element solutions into a compact latent space, (ii) a supervised regression network maps problem parameters to latent codes, and (iii) an end-to-end surrogate reconstructs full-field solutions directly from input parameters. To overcome limitations of existing approaches, we propose two key extensions: a force-augmented variant that jointly predicts displacement fields and reaction forces at Neumann boundaries, and a multi-field architecture that enables coupled field predictions, such as in thermo-mechanical systems. The framework is validated on nonlinear benchmark problems involving heterogeneous composites, anisotropic elasticity with geometric variation, and thermo-mechanical coupling. Across all cases, it achieves accurate reconstructions of high-fidelity solutions while remaining fully non-intrusive. These results highlight the potential of combining deep learning with dimensionality reduction to build efficient and extensible surrogate models. Our publicly available implementation provides a foundation for integrating data-driven model order reduction into uncertainty quantification, optimization, and digital twin applications.
Authors: Guillem Bonafos, J\'eremy Rouch, L\'eny Lego, David Reby, Hugues Patural, Nicolas Mathevon, R\'emy Emonet
Abstract: Transfer learning using latent representations from pre-trained speech models achieves outstanding performance in tasks where labeled data is scarce. However, their applicability to non-speech data and the specific acoustic properties encoded in these representations remain largely unexplored. In this study, we investigate both aspects. We evaluate five pre-trained speech models on eight baby cries datasets, encompassing 115 hours of audio from 960 babies. For each dataset, we assess the latent representations of each model across all available classification tasks. Our results demonstrate that the latent representations of these models can effectively classify human baby cries and encode key information related to vocal source instability and identity of the crying baby. In addition, a comparison of the architectures and training strategies of these models offers valuable insights for the design of future models tailored to similar tasks, such as emotion detection.
Authors: I. Shavindra Jayasekera, Jacob Si, Wenlong Chen, Filippo Valdettaro, A. Aldo Faisal, Yingzhen Li
Abstract: As large language models (LLMs) gain popularity in conducting prediction tasks in-context, understanding the sources of uncertainty in in-context learning becomes essential to ensuring reliability. The recent hypothesis of in-context learning performing predictive Bayesian inference opens the avenue for Bayesian uncertainty estimation, particularly for decomposing uncertainty into epistemic uncertainty due to lack of in-context data and aleatoric uncertainty inherent in the in-context prediction task. However, the decomposition idea remains under-explored due to the intractability of the latent parameter posterior from the underlying Bayesian model. In this work, we introduce a variational uncertainty decomposition framework for in-context learning without explicitly sampling from the latent parameter posterior, by optimising auxiliary queries as probes to obtain an upper bound to the aleatoric uncertainty of an LLM's in-context learning procedure, which also induces a lower bound to the epistemic uncertainty. Through experiments on synthetic and real-world tasks, we show quantitatively and qualitatively that the decomposed uncertainties obtained from our method exhibit desirable properties of epistemic and aleatoric uncertainty.
Authors: Shihui Yang, Chengfeng Dou, Peidong Guo, Kai Lu, Qiang Ju, Fei Deng, Rihui Xin
Abstract: Reinforcement Learning from Verifiable Rewards (RLVR) has emerged as a promising framework for enhancing the reasoning capabilities of large language models. However, existing approaches such as GRPO often suffer from zero gradients. This problem arises primarily due to fixed clipping bounds for token-level probability ratios and the standardization of identical rewards, which can lead to ineffective gradient updates and underutilization of generated responses. In this work, we propose Dynamic Clipping Policy Optimization (DCPO), which introduces a dynamic clipping strategy that adaptively adjusts the clipping bounds based on token-specific prior probabilities to enhance token-level exploration, and a smooth advantage standardization technique that standardizes rewards across cumulative training steps to improve the response-level effective utilization of generated responses. DCPO achieved state-of-the-art performance on four benchmarks based on four different models. In particular, DCPO achieved an Avg@1 of 46.7 under greedy decoding and an Avg@32 of 38.8 under 32 times sampling on the AIME24 benchmark, surpassing both DAPO (36.7/31.6) and GRPO (36.7/32.1) on the Qwen2.5-Math-7B model. On the AIME25 benchmark based on Qwen2.5-14B, DCPO achieves a performance of (23.3/19.0), surpassing GRPO (13.3/10.5) and DAPO (20.0/15.3). Furthermore, DCPO achieved an average 28% improvement in the nonzero advantage over GRPO in four models, doubled the training efficiency over DAPO, and significantly reduced the token clipping ratio by an order of magnitude compared to both GRPO and DAPO, while achieving superior performance. These results highlight DCPO's effectiveness in leveraging generated data more efficiently for reinforcement learning in large language models.
Authors: Lea Kunkel
Abstract: Flow Matching, a promising approach in generative modeling, has recently gained popularity. Relying on ordinary differential equations, it offers a simple and flexible alternative to diffusion models, which are currently the state-of-the-art. Despite its empirical success, the mathematical understanding of its statistical power so far is very limited. This is largely due to the sensitivity of theoretical bounds to the Lipschitz constant of the vector field which drives the ODE. In this work, we study the assumptions that lead to controlling this dependency. Based on these results, we derive a convergence rate for the Wasserstein $1$ distance between the estimated distribution and the target distribution which improves previous results in high dimensional setting. This rate applies to certain classes of unbounded distributions and particularly does not require $\log$-concavity.
Authors: Lu Wang, Hao Chen, Siyu Wu, Zhiyue Wu, Hao Zhou, Chengfeng Zhang, Ting Wang, Haodi Zhang
Abstract: Multimodal Large Language Models (MLLMs) have been widely applied in speech and music. This tendency has led to a focus on audio tokenization for Large Models (LMs). Unlike semantic-only text tokens, audio tokens must both capture global semantic content and preserve fine-grained acoustic details. Moreover, they provide a discrete method for speech and music that can be effectively integrated into MLLMs. However, existing research is unsuitable in the definitions of semantic tokens and acoustic tokens. In addition, the evaluation of different codecs typically concentrates on specific domains or tasks, such as reconstruction or Automatic Speech Recognition (ASR) task, which prevents fair and comprehensive comparisons. To address these problems, this paper provides suitable definitions for semantic and acoustic tokens and introduces a systematic evaluation framework. This framework allows for a comprehensive assessment of codecs' capabilities which evaluate across four dimensions: audio reconstruction metric, codebook index (ID) stability, decoder-only transformer perplexity, and performance on downstream probe tasks. Our results show the correctness of the provided suitable definitions and the correlation among reconstruction metrics, codebook ID stability, downstream probe tasks and perplexity.
Authors: Alireza Sedighi Moghaddam, Mohammad Reza Mohammadi
Abstract: Labeled data is a fundamental component in training supervised deep learning models for computer vision tasks. However, the labeling process, especially for ordinal image classification where class boundaries are often ambiguous, is prone to error and noise. Such label noise can significantly degrade the performance and reliability of machine learning models. This paper addresses the problem of detecting and correcting label noise in ordinal image classification tasks. To this end, a novel data-centric method called ORDinal Adaptive Correction (ORDAC) is proposed for adaptive correction of noisy labels. The proposed approach leverages the capabilities of Label Distribution Learning (LDL) to model the inherent ambiguity and uncertainty present in ordinal labels. During training, ORDAC dynamically adjusts the mean and standard deviation of the label distribution for each sample. Rather than discarding potentially noisy samples, this approach aims to correct them and make optimal use of the entire training dataset. The effectiveness of the proposed method is evaluated on benchmark datasets for age estimation (Adience) and disease severity detection (Diabetic Retinopathy) under various asymmetric Gaussian noise scenarios. Results show that ORDAC and its extended versions (ORDAC_C and ORDAC_R) lead to significant improvements in model performance. For instance, on the Adience dataset with 40% noise, ORDAC_R reduced the mean absolute error from 0.86 to 0.62 and increased the recall metric from 0.37 to 0.49. The method also demonstrated its effectiveness in correcting intrinsic noise present in the original datasets. This research indicates that adaptive label correction using label distributions is an effective strategy to enhance the robustness and accuracy of ordinal classification models in the presence of noisy data.
Authors: Ali Hamdi, Malak Mohamed, Rokaia Emad, Khaled Shaban
Abstract: Social telehealth has made remarkable progress in healthcare by allowing patients to post symptoms and participate in medical consultations remotely. Users frequently post symptoms on social media and online health platforms, creating a huge repository of medical data that can be leveraged for disease classification. Large language models (LLMs) such as LLAMA3 and GPT-3.5, along with transformer-based models like BERT, have demonstrated strong capabilities in processing complex medical text. In this study, we evaluate three Arabic medical text preprocessing methods such as summarization, refinement, and Named Entity Recognition (NER) before applying fine-tuned Arabic transformer models (CAMeLBERT, AraBERT, and AsafayaBERT). To enhance robustness, we adopt a majority voting ensemble that combines predictions from original and preprocessed text representations. This approach achieved the best classification accuracy of 80.56%, thus showing its effectiveness in leveraging various text representations and model predictions to improve the understanding of medical texts. To the best of our knowledge, this is the first work that integrates LLM-based preprocessing with fine-tuned Arabic transformer models and ensemble learning for disease classification in Arabic social telehealth data.
Authors: Lingzhi Shen, Xiaohao Cai, Yunfei Long, Imran Razzak, Guanming Chen, Shoaib Jameel
Abstract: Personality detection from text is commonly performed by analysing users' social media posts. However, existing methods heavily rely on large-scale annotated datasets, making it challenging to obtain high-quality personality labels. Moreover, most studies treat emotion and personality as independent variables, overlooking their interactions. In this paper, we propose a novel self-supervised framework, EmoPerso, which improves personality detection through emotion-aware modelling. EmoPerso first leverages generative mechanisms for synthetic data augmentation and rich representation learning. It then extracts pseudo-labeled emotion features and jointly optimizes them with personality prediction via multi-task learning. A cross-attention module is employed to capture fine-grained interactions between personality traits and the inferred emotional representations. To further refine relational reasoning, EmoPerso adopts a self-taught strategy to enhance the model's reasoning capabilities iteratively. Extensive experiments on two benchmark datasets demonstrate that EmoPerso surpasses state-of-the-art models. The source code is available at https://github.com/slz0925/EmoPerso.
Authors: Seyedali Mohammadi, Bhaskara Hanuma Vedula, Hemank Lamba, Edward Raff, Ponnurangam Kumaraguru, Francis Ferraro, Manas Gaur
Abstract: Do LLMs genuinely incorporate external definitions, or do they primarily rely on their parametric knowledge? To address these questions, we conduct controlled experiments across multiple explanation benchmark datasets (general and domain-specific) and label definition conditions, including expert-curated, LLM-generated, perturbed, and swapped definitions. Our results reveal that while explicit label definitions can enhance accuracy and explainability, their integration into an LLM's task-solving processes is neither guaranteed nor consistent, suggesting reliance on internalized representations in many cases. Models often default to their internal representations, particularly in general tasks, whereas domain-specific tasks benefit more from explicit definitions. These findings underscore the need for a deeper understanding of how LLMs process external knowledge alongside their pre-existing capabilities.
Authors: Chengyuan Ma, Peng Jia, Hongyue Guo, Wenming Yang
Abstract: The core challenge in industrial equipment anoma lous sound detection (ASD) lies in modeling the time-frequency coupling characteristics of acoustic features. Existing modeling methods are limited by local receptive fields, making it difficult to capture long-range temporal patterns and cross-band dynamic coupling effects in machine acoustic features. In this paper, we propose a novel framework, ESTM, which is based on a dual-path Mamba architecture with time-frequency decoupled modeling and utilizes Selective State-Space Models (SSM) for long-range sequence modeling. ESTM extracts rich feature representations from different time segments and frequency bands by fusing enhanced Mel spectrograms and raw audio features, while further improving sensitivity to anomalous patterns through the TriStat-Gating (TSG) module. Our experiments demonstrate that ESTM improves anomalous detection performance on the DCASE 2020 Task 2 dataset, further validating the effectiveness of the proposed method.
Authors: Nina Wiedemann, Sainan Liu, Quentin Leboutet, Katelyn Gao, Benjamin Ummenhofer, Michael Paulitsch, Kai Yuan
Abstract: Following rapid advancements in text and image generation, research has increasingly shifted towards 3D generation. Unlike the well-established pixel-based representation in images, 3D representations remain diverse and fragmented, encompassing a wide variety of approaches such as voxel grids, neural radiance fields, signed distance functions, point clouds, or octrees, each offering distinct advantages and limitations. In this work, we present a unified evaluation framework designed to assess the performance of 3D representations in reconstruction and generation. We compare these representations based on multiple criteria: quality, computational efficiency, and generalization performance. Beyond standard model benchmarking, our experiments aim to derive best practices over all steps involved in the 3D generation pipeline, including preprocessing, mesh reconstruction, compression with autoencoders, and generation. Our findings highlight that reconstruction errors significantly impact overall performance, underscoring the need to evaluate generation and reconstruction jointly. We provide insights that can inform the selection of suitable 3D models for various applications, facilitating the development of more robust and application-specific solutions in 3D generation. The code for our framework is available at https://github.com/isl-org/unifi3d.
Authors: Haichen Hu, David Simchi-Levi
Abstract: We study the problem of evaluating the excess risk of classical penalized empirical risk minimization (ERM) with Bregman losses. We show that by leveraging the recently proposed wild refitting procedure (Wainwright, 2025), one can efficiently upper bound the excess risk through the so-called "wild optimism," without relying on the global structure of the underlying function class. This property makes our approach inherently model-free. Unlike conventional analyses, our framework operates with just one dataset and black-box access to the training procedure. The method involves randomized vector-valued symmetrization with an appropriate scaling of the prediction residues and constructing artificially modified outcomes, upon which we retrain a second predictor for excess risk estimation. We establish high-probability performance guarantees both under the fixed design setting and the random design setting, demonstrating that wild refitting under Bregman losses, with an appropriately chosen wild noise scale, yields a valid upper bound on the excess risk. This work thus is promising for theoretically evaluating modern opaque ML and AI models such as deep neural networks and large language models, where the model class is too complex for classical learning theory and empirical process techniques to apply.
Authors: Avinash Maurya, M. Mustafa Rafique, Franck Cappello, Bogdan Nicolae
Abstract: Training LLMs larger than the aggregated memory of multiple GPUs is increasingly necessary due to the faster growth of LLM sizes compared to GPU memory. To this end, multi-tier host memory or disk offloading techniques are proposed by state of art. Despite advanced asynchronous multi-tier read/write strategies, such offloading strategies result in significant I/O overheads in the critical path of training, resulting in slower iterations. To this end, we propose MLP-Offload, a novel multi-level, multi-path offloading engine specifically designed for optimizing LLM training on resource-constrained setups by mitigating I/O bottlenecks. We make several key observations that drive the design of MLP-Offload, such as I/O overheads during the update dominate the iteration time; I/O bandwidth of the third-level remote storage tier remains unutilized; and, contention due to concurrent offloading amplifies I/O bottlenecks. Driven by these insights, we design and implement MLP-Offload to offload the optimizer states across multiple tiers in a cache-efficient and concurrency-controlled fashion to mitigate I/O bottlenecks during the backward and update phases. Evaluations on models up to 280B parameters shows that MLP-Offload achieves 2.5$\times$ faster iterations compared to the state-of-the-art LLM training runtimes.
Authors: Nabil Jabareen, Dongsheng Yuan, Dingming Liu, Foo-Wei Ten, S\"oren Lukassen
Abstract: The adoption of Transformer-based architectures in the medical domain is growing rapidly. In medical imaging, the analysis of complex shapes - such as organs, tissues, or other anatomical structures - combined with the often anisotropic nature of high-dimensional images complicates these adaptations. In this study, we critically examine the role of Positional Encodings (PEs), arguing that commonly used approaches may be suboptimal for the specific challenges of medical imaging. Sinusoidal Positional Encodings (SPEs) have proven effective in vision tasks, but they struggle to preserve Euclidean distances in higher-dimensional spaces. Isotropic Fourier Feature Positional Encodings (IFPEs) have been proposed to better preserve Euclidean distances, but they lack the ability to account for anisotropy in images. To address these limitations, we propose Anisotropic Fourier Feature Positional Encoding (AFPE), a generalization of IFPE that incorporates anisotropic, class-specific, and domain-specific spatial dependencies. We systematically benchmark AFPE against commonly used PEs on multi-label classification in chest X-rays, organ classification in CT images, and ejection fraction regression in echocardiography. Our results demonstrate that choosing the correct PE can significantly improve model performance. We show that the optimal PE depends on the shape of the structure of interest and the anisotropy of the data. Finally, our proposed AFPE significantly outperforms state-of-the-art PEs in all tested anisotropic settings. We conclude that, in anisotropic medical images and videos, it is of paramount importance to choose an anisotropic PE that fits the data and the shape of interest.
Authors: Chenglong Wang, Yongyu Mu, Hang Zhou, Yifu Huo, Ziming Zhu, Jiali Zeng, Murun Yang, Bei Li, Tong Xiao, Xiaoyang Hao, Chunliang Zhang, Fandong Meng, Jingbo Zhu
Abstract: Significant progress in reward modeling over recent years has been driven by a paradigm shift from task-specific designs towards generalist reward models. Despite this trend, developing effective reward models remains a fundamental challenge: the heavy reliance on large-scale labeled preference data. Pre-training on abundant unlabeled data offers a promising direction, but existing approaches fall short of instilling explicit reasoning into reward models. To bridge this gap, we propose a self-training approach that leverages unlabeled data to elicit reward reasoning in reward models. Based on this approach, we develop GRAM-R$^2$, a generative reward model trained to produce not only preference labels but also accompanying reward rationales. GRAM-R$^2$ can serve as a foundation model for reward reasoning and can be applied to a wide range of tasks with minimal or no additional fine-tuning. It can support downstream applications such as response ranking and task-specific reward tuning. Experiments on response ranking, task adaptation, and reinforcement learning from human feedback demonstrate that GRAM-R$^2$ consistently delivers strong performance, outperforming several strong discriminative and generative baselines.
Authors: Nishant Tanksale, Tanmay Kokate, Darshan Gohad, Sarvadnyaa Barate, Raviraj Joshi
Abstract: Semantic evaluation in low-resource languages remains a major challenge in NLP. While sentence transformers have shown strong performance in high-resource settings, their effectiveness in Indic languages is underexplored due to a lack of high-quality benchmarks. To bridge this gap, we introduce L3Cube-IndicHeadline-ID, a curated headline identification dataset spanning ten low-resource Indic languages: Marathi, Hindi, Tamil, Gujarati, Odia, Kannada, Malayalam, Punjabi, Telugu, Bengali and English. Each language includes 20,000 news articles paired with four headline variants: the original, a semantically similar version, a lexically similar version, and an unrelated one, designed to test fine-grained semantic understanding. The task requires selecting the correct headline from the options using article-headline similarity. We benchmark several sentence transformers, including multilingual and language-specific models, using cosine similarity. Results show that multilingual models consistently perform well, while language-specific models vary in effectiveness. Given the rising use of similarity models in Retrieval-Augmented Generation (RAG) pipelines, this dataset also serves as a valuable resource for evaluating and improving semantic understanding in such applications. Additionally, the dataset can be repurposed for multiple-choice question answering, headline classification, or other task-specific evaluations of LLMs, making it a versatile benchmark for Indic NLP. The dataset is shared publicly at https://github.com/l3cube-pune/indic-nlp
Authors: Mayur Shirke, Amey Shembade, Pavan Thorat, Madhushri Wagh, Raviraj Joshi
Abstract: Named Entity Recognition (NER) in code-mixed text, particularly Hindi-English (Hinglish), presents unique challenges due to informal structure, transliteration, and frequent language switching. This study conducts a comparative evaluation of code-mixed fine-tuned models and non-code-mixed multilingual models, along with zero-shot generative large language models (LLMs). Specifically, we evaluate HingBERT, HingMBERT, and HingRoBERTa (trained on code-mixed data), and BERT Base Cased, IndicBERT, RoBERTa and MuRIL (trained on non-code-mixed multilingual data). We also assess the performance of Google Gemini in a zero-shot setting using a modified version of the dataset with NER tags removed. All models are tested on a benchmark Hinglish NER dataset using Precision, Recall, and F1-score. Results show that code-mixed models, particularly HingRoBERTa and HingBERT-based fine-tuned models, outperform others - including closed-source LLMs like Google Gemini - due to domain-specific pretraining. Non-code-mixed models perform reasonably but show limited adaptability. Notably, Google Gemini exhibits competitive zero-shot performance, underlining the generalization strength of modern LLMs. This study provides key insights into the effectiveness of specialized versus generalized models for code-mixed NER tasks.
Authors: Jiaming Li, Longze Chen, Ze Gong, Yukun Chen, Lu Wang, Wanwei He, Run Luo, Min Yang
Abstract: Recent advances in Reinforcement Learning with Verifiable Rewards (RLVR) have empowered large language models (LLMs) to tackle challenging reasoning tasks such as mathematics and programming. RLVR leverages verifiable outcome rewards to guide policy optimization, enabling LLMs to progressively improve output quality in a grounded and reliable manner. Despite its promise, the RLVR paradigm poses significant challenges, as existing methods often suffer from sparse reward signals and unstable policy gradient updates, particularly in RL-based approaches. To address the challenges, we propose $\textbf{PACS}$, a novel RLVR framework that achieves im$\textbf{P}$licit $\textbf{A}$ctor $\textbf{C}$ritic coupling via a $\textbf{S}$upervised learning framework. By treating the outcome reward as a predictable label, we reformulate the RLVR problem into a supervised learning task over a score function parameterized by the policy model and optimized using cross-entropy loss. A detailed gradient analysis shows that this supervised formulation inherently recovers the classical policy gradient update while implicitly coupling actor and critic roles, yielding more stable and efficient training. Benchmarking on challenging mathematical reasoning tasks, PACS outperforms strong RLVR baselines, such as PPO and GRPO, achieving superior reasoning performance. For instance, PACS achieves 59.78\% at pass@256 on AIME 2025, representing improvements of 13.32 and 14.36 points over PPO and GRPO. This simple yet powerful framework offers a promising avenue for LLMs post-training with verifiable rewards. Our code and data are available as open source at https://github.com/ritzz-ai/PACS.
Authors: Evan King, Adam Sabra, Manjunath Kudlur, James Wang, Pete Warden
Abstract: We present the Flavors of Moonshine, a suite of tiny automatic speech recognition (ASR) models specialized for a range of underrepresented languages. Prevailing wisdom suggests that multilingual ASR models outperform monolingual counterparts by exploiting cross-lingual phonetic similarities. We challenge this assumption, showing that for sufficiently small models (27M parameters), training monolingual systems on a carefully balanced mix of high-quality human-labeled, pseudo-labeled, and synthetic data yields substantially superior performance. On average, our models achieve error rates 48% lower than the comparably sized Whisper Tiny model, outperform the 9x larger Whisper Small model, and in most cases match or outperform the 28x larger Whisper Medium model. These results advance the state of the art for models of this size, enabling accurate on-device ASR for languages that previously had limited support. We release Arabic, Chinese, Japanese, Korean, Ukrainian, and Vietnamese Moonshine models under a permissive open-source license.
Authors: Tianjian Li, Yiming Zhang, Ping Yu, Swarnadeep Saha, Daniel Khashabi, Jason Weston, Jack Lanchantin, Tianlu Wang
Abstract: Post-training of Large Language Models (LMs) often prioritizes accuracy and helpfulness at the expense of diversity. This creates a tension: while post-training improves response quality, it also sharpens output distributions and reduces the range of ideas, limiting the usefulness of LMs in creative and exploratory tasks such as brainstorming, storytelling, or problem solving. We address this challenge with Diversity-Aware Reinforcement Learning (DARLING), a framework that jointly optimizes for response quality and semantic diversity. At its core, DARLING introduces a learned partition function to measure diversity beyond surface-level lexical variations. This diversity signal is then combined with a quality reward during online reinforcement learning, encouraging models to generate outputs that are both high-quality and distinct. Experiments across multiple model families and sizes show that DARLING generalizes to two regimes: non-verifiable tasks (instruction following and creative writing) and verifiable tasks (competition math). On five benchmarks in the first setting, DARLING consistently outperforms quality-only RL baselines, producing outputs that are simultaneously of higher quality and novelty. In the second setting, DARLING achieves higher pass@1 (solution quality) and pass@k (solution variety). Most strikingly, explicitly optimizing for diversity catalyzes exploration in online RL, which manifests itself as higher-quality responses.
Authors: Eduardo Rocha Laurentino, Fabio Gagliardi Cozman, Denis Deratani Maua, Daniel Angelo Esteves Lawand, Davi Goncalves Bezerra Coelho, Lucas Martins Marques
Abstract: Probabilities of causation provide principled ways to assess causal relationships but face computational challenges due to partial identifiability and latent confounding. This paper introduces both algorithmic simplifications, significantly reducing the computational complexity of calculating tighter bounds for these probabilities, and a novel methodological framework for Root Cause Analysis that systematically employs these causal metrics to rank entire causal paths.
Authors: Zifan Zhang, Minghong Fang, Mingzhe Chen, Yuchen Liu
Abstract: The integration of digital twinning technologies is driving next-generation networks toward new capabilities, allowing operators to thoroughly understand network conditions, efficiently analyze valuable radio data, and innovate applications through user-friendly, immersive interfaces. Building on this foundation, network digital twins (NDTs) accurately depict the operational processes and attributes of network infrastructures, facilitating predictive management through real-time analysis and measurement. However, constructing precise NDTs poses challenges, such as integrating diverse data sources, mapping necessary attributes from physical networks, and maintaining scalability for various downstream tasks. Unlike previous works that focused on the creation and mapping of NDTs from scratch, we explore intra- and inter-operations among NDTs within a Unified Twin Transformation (UTT) framework, which uncovers a new computing paradigm for efficient transfer, merging, and splitting of NDTs to create task-oriented twins. By leveraging joint multi-modal and distributed mapping mechanisms, UTT optimizes resource utilization and reduces the cost of creating NDTs, while ensuring twin model consistency. A theoretical analysis of the distributed mapping problem is conducted to establish convergence bounds for this multi-modal gated aggregation process. Evaluations on real-world twin-assisted applications, such as trajectory reconstruction, human localization, and sensory data generation, demonstrate the feasibility and effectiveness of interoperability among NDTs for corresponding task development.
Authors: Evgenia Romanenkova, Alexander Stepikin, Matvey Morozov, Alexey Zaytsev
Abstract: For sequential data, a change point is a moment of abrupt regime switch in data streams. Such changes appear in different scenarios, including simpler data from sensors and more challenging video surveillance data. We need to detect disorders as fast as possible. Classic approaches for change point detection (CPD) might underperform for semi-structured sequential data because they cannot process its structure without a proper representation. We propose a principled loss function that balances change detection delay and time to a false alarm. It approximates classic rigorous solutions but is differentiable and allows representation learning for deep models. We consider synthetic sequences, real-world data sensors and videos with change points. We carefully labelled available data with change point moments for video data and released it for the first time. Experiments suggest that complex data require meaningful representations tailored for the specificity of the CPD task -- and our approach provides them outperforming considered baselines. For example, for explosion detection in video, the F1 score for our method is 0.53 compared to baseline scores of 0.31 and 0.35.
Authors: Kai Zhang, Yutong Dai, Hongyi Wang, Eric Xing, Xun Chen, Lichao Sun
Abstract: Federated learning is a promising paradigm that allows multiple clients to collaboratively train a model without sharing the local data. However, the presence of heterogeneous devices in federated learning, such as mobile phones and IoT devices with varying memory capabilities, would limit the scale and hence the performance of the model could be trained. The mainstream approaches to address memory limitations focus on width-slimming techniques, where different clients train subnetworks with reduced widths locally and then the server aggregates the subnetworks. The global model produced from these methods suffers from performance degradation due to the negative impact of the actions taken to handle the varying subnetwork widths in the aggregation phase. In this paper, we introduce a memory-adaptive depth-wise learning solution in FL called FeDepth, which adaptively decomposes the full model into blocks according to the memory budgets of each client and trains blocks sequentially to obtain a full inference model. Our method outperforms state-of-the-art approaches, achieving 5% and more than 10% improvements in top-1 accuracy on CIFAR-10 and CIFAR-100, respectively. We also demonstrate the effectiveness of depth-wise fine-tuning on ViT. Our findings highlight the importance of memory-aware techniques for federated learning with heterogeneous devices and the success of depth-wise training strategy in improving the global model's performance.
Authors: Teddy Lazebnik, Liron Simon-Keren
Abstract: Data encoding is a common and central operation in most data analysis tasks. The performance of other models downstream in the computational process highly depends on the quality of data encoding. One of the most powerful ways to encode data is using the neural network AutoEncoder (AE) architecture. However, the developers of AE cannot easily influence the produced embedding space, as it is usually treated as a black box technique. This means the embedding space is uncontrollable and does not necessarily possess the properties desired for downstream tasks. This paper introduces a novel approach for developing AE models that can integrate external knowledge sources into the learning process, possibly leading to more accurate results. The proposed Knowledge-integrated AutoEncoder (KiAE) model can leverage domain-specific information to make sure the desired distance and neighborhood properties between samples are preservative in the embedding space. The proposed model is evaluated on three large-scale datasets from three scientific fields and is compared to nine existing encoding models. The results demonstrate that the KiAE model effectively captures the underlying structures and relationships between the input data and external knowledge, meaning it generates a more useful representation. This leads to outperforming the rest of the models in terms of reconstruction accuracy.
Authors: Andrea Montanari
Abstract: Diffusions are a successful technique to sample from high-dimensional distributions. The target distribution can be either explicitly given or learnt from a collection of samples. They implement a diffusion process whose endpoint is a sample from the target distribution. The drift of the diffusion process is typically represented as a neural network. Stochastic localization is a successful technique to prove mixing of Markov Chains and other functional inequalities in high dimension. An algorithmic version of stochastic localization was recently proposed in order to sample from certain statistical mechanics models. This expository article has three objectives: $(i)$~Generalize the algorithmic construction to other stochastic localization processes. This construction is both simple and broadly applicable; $(ii)$~Clarify the connection between diffusions and stochastic localization. This allows to derive several known sampling schemes in a unified fashion; $(iii)$~Describe the insights that follow from this unified viewpoint.
Authors: Hanchao Zhang, Xiaomeng Ju, Baoyi Shi, Lingsong Meng, Thaddeus Tarpey
Abstract: This paper presents a new clustering algorithm for symmetric positive semi-definite (SPSD) matrices, called K-Tensors. The method identifies structured subsets of the SPSD cone characterized by common principal component (CPC) representations, where each subset corresponds to matrices sharing a common eigenstructure. Unlike conventional clustering approaches that rely on vectorization or transformations of SPSD matrices, thereby losing critical geometric and spectral information, K-Tensors introduces a divergence that respects the intrinsic geometry of SPSD matrices. This divergence preserves the shape and eigenstructure information and yields principal SPSD tensors, defined as a set of representative matrices that summarize the distribution of SPSD matrices. By exploring its theoretical properties, we show that the proposed clustering algorithm is self-consistent under mild distribution assumptions and converges to a local optimum. We demonstrate the use of the algorithm through an application to resting-state functional magnetic resonance imaging (rs-fMRI) data from the Human Connectome Project, where we cluster brain connectivity matrices to discover groups of subjects with shared connectivity structures.
Authors: Yifan Zhang
Abstract: The quadratic complexity of dot-product attention introduced in Transformer remains a fundamental bottleneck impeding the progress of foundation models toward unbounded context lengths. Addressing this challenge, we introduce the Deep Tensor Network, a new architectural framework that fundamentally reformulates attention by unifying the expressive power of tensor algebra with neural network design. Our approach moves beyond both conventional dot-product attention and subsequent linear-time approximations to capture higher-order statistical dependencies. We introduce two core operators derived from this framework: \emph{Tensor Attention}, which models complex token-mixing via data-dependent polynomial kernels, and Tensor Interaction, a novel mechanism for adaptive channel-mixing. We demonstrate that these operators are powered by second-order summaries that entirely bypass the formation of $n \times n$ matrices, enabling a causality-preserving streaming implementation with $O(d^2)$ per-token updates and $O(d^2)$ state. This efficiency rivals that of modern State Space Models while retaining an attention-like formulation. The Deep Tensor Network thus provides a principled and powerful new class of building blocks for next-generation sequence models, bridging the gap between scalable computation and rich, expressive interaction modeling.
Authors: Shuo Wang, Ge Cheng, Yun Zhang
Abstract: Message Passing Neural Networks (MPNNs) model local relations effectively but struggle to propagate information over long distances. Graph Transformers (GTs) mitigate this via global self-attention, yet their quadratic cost in the number of nodes limits scalability. We propose Graph Elimination Networks (GENs), an MPNN variant that approximates GT-like long-range modeling while maintaining high efficiency. GENs combine edge-wise and hop-wise self-attention in parallel; their multiplicative composition yields an attention kernel separable across edge and hop factors within a bounded K-hop receptive field. To enable hop-wise attention, we introduce the Graph Elimination Algorithm (GEA), which prevents double counting across hops, ensuring that each round injects the k-hop incremental contribution exactly once. Taking differences between successive rounds recovers the k-hop increment and yields disentangled multi-hop features as inputs for hop-wise attention. This preserves clearer structural distinctions across hop distances and enables more faithful modeling of pairwise dependencies between distant nodes within the K-hop neighborhood. On the Long-Range Graph Benchmark (LRGB), GENs outperform strong MPNN baselines by 7.7 and 6.0 percentage points (pp) on PascalVOC-SP and COCO-SP, and achieve performance on par with or better than state-of-the-art Graph Transformers. On OGBN-Products, GENs support full-batch training/inference, while sparse-attention baselines like Exphormer struggle with memory limits under comparable budgets, highlighting GENs as a practical alternative for large, sparse graphs.
Authors: Rui Liu, Anish Gupta, Erfaun Noorani, Pratap Tokekar
Abstract: Reinforcement Learning (RL) has shown exceptional performance across various applications, enabling autonomous agents to learn optimal policies through interaction with their environments. However, traditional RL frameworks often face challenges in terms of iteration efficiency and safety. Risk-sensitive policy gradient methods, which incorporate both expected return and risk measures, have been explored for their ability to yield safe policies, yet their iteration complexity remains largely underexplored. In this work, we conduct a rigorous iteration complexity analysis for the risk-sensitive policy gradient method, focusing on the REINFORCE algorithm with an exponential utility function. We establish an iteration complexity of $\mathcal{O}(\epsilon^{-2})$ to reach an $\epsilon$-approximate first-order stationary point (FOSP). Furthermore, we investigate whether risk-sensitive algorithms can achieve better iteration complexity compared to their risk-neutral counterparts. Our analysis indicates that risk-sensitive REINFORCE can potentially converge faster. To validate our analysis, we empirically evaluate the learning performance and convergence efficiency of the risk-neutral and risk-sensitive REINFORCE algorithms in multiple environments: CartPole, MiniGrid, and Robot Navigation. Empirical results confirm that risk-sensitive cases can converge and stabilize faster compared to their risk-neutral counterparts. More details can be found on our website https://anonymous.4open.science/w/riskrl.
Authors: Simon Kl\"uttermann, Emmanuel M\"uller
Abstract: Outlier detection (OD) is one of the core challenges in machine learning. Transductive learning, which leverages test data during training, has shown promise in related machine learning tasks, yet remains largely unexplored for modern OD. We present Doust, the first end-to-end transductive deep learning algorithm for outlier detection, which explicitly leverages unlabeled test data to boost accuracy. On the comprehensive ADBench benchmark, Doust achieves an average ROC-AUC of $89%$, outperforming all 21 competitors by roughly $10%$. Our analysis identifies both the potential and a limitation of transductive OD: while performance gains can be substantial in favorable conditions, very low contamination rates can hinder improvements unless the dataset is sufficiently large.
Authors: Mladjan Jovanovic, Peter Voss
Abstract: Incremental learning is the ability of systems to acquire knowledge over time, enabling their adaptation and generalization to novel tasks. It is a critical ability for intelligent, real-world systems, especially when data changes frequently or is limited. This review provides a comprehensive analysis of incremental learning in Large Language Models. It synthesizes the state-of-the-art incremental learning paradigms, including continual learning, meta-learning, parameter-efficient learning, and mixture-of-experts learning. We demonstrate their utility for incremental learning by describing specific achievements from these related topics and their critical factors. An important finding is that many of these approaches do not update the core model, and none of them update incrementally in real-time. The paper highlights current problems and challenges for future research in the field. By consolidating the latest relevant research developments, this review offers a comprehensive understanding of incremental learning and its implications for designing and developing LLM-based learning systems.
Authors: Xingchen Zou, Jiani Huang, Xixuan Hao, Yuhao Yang, Haomin Wen, Yibo Yan, Chao Huang, Chao Chen, Yuxuan Liang
Abstract: Regional socioeconomic indicators are critical across various domains, yet their acquisition can be costly. Inferring global socioeconomic indicators from a limited number of regional samples is essential for enhancing management and sustainability in urban areas and human settlements. Current inference methods typically rely on spatial interpolation based on the assumption of spatial continuity, which does not adequately address the complex variations present within regional spaces. In this paper, we present GeoHG, the first space-aware socioeconomic indicator inference method that utilizes a heterogeneous graph-based structure to represent geospace for non-continuous inference. Extensive experiments demonstrate the effectiveness of GeoHG in comparison to existing methods, achieving an $R^2$ score exceeding 0.8 under extreme data scarcity with a masked ratio of 95\%.
Authors: Chinmaya Kausik, Kevin Tan, Ambuj Tewari
Abstract: Leveraging offline data is an attractive way to accelerate online sequential decision-making. However, it is crucial to account for latent states in users or environments in the offline data, and latent bandits form a compelling model for doing so. In this light, we design end-to-end latent bandit algorithms capable of handing uncountably many latent states. We focus on a linear latent contextual bandit $-$ a linear bandit where each user has its own high-dimensional reward parameter in $\mathbb{R}^{d_A}$, but reward parameters across users lie in a low-rank latent subspace of dimension $d_K \ll d_A$. First, we provide an offline algorithm to learn this subspace with provable guarantees. We then present two online algorithms that utilize the output of this offline algorithm to accelerate online learning. The first enjoys $\tilde{O}(\min(d_A\sqrt{T}, d_K\sqrt{T}(1+\sqrt{d_AT/d_KN})))$ regret guarantees, so that the effective dimension is lower when the size $N$ of the offline dataset is larger. We prove a matching lower bound on regret, showing that our algorithm is minimax optimal. The second is a practical algorithm that enjoys only a slightly weaker guarantee, but is computationally efficient. We also establish the efficacy of our methods using experiments on both synthetic data and real-life movie recommendation data from MovieLens. Finally, we theoretically establish the generality of the latent bandit model by proving a de Finetti theorem for stateless decision processes.
Authors: Yang Zhang, Chenjia Bai, Bin Zhao, Junchi Yan, Xiu Li, Xuelong Li
Abstract: Learning a world model for model-free Reinforcement Learning (RL) agents can significantly improve the sample efficiency by learning policies in imagination. However, building a world model for Multi-Agent RL (MARL) can be particularly challenging due to the scalability issue in a centralized architecture arising from a large number of agents, and also the non-stationarity issue in a decentralized architecture stemming from the inter-dependency among agents. To address both challenges, we propose a novel world model for MARL that learns decentralized local dynamics for scalability, combined with a centralized representation aggregation from all agents. We cast the dynamics learning as an auto-regressive sequence modeling problem over discrete tokens by leveraging the expressive Transformer architecture, in order to model complex local dynamics across different agents and provide accurate and consistent long-term imaginations. As the first pioneering Transformer-based world model for multi-agent systems, we introduce a Perceiver Transformer as an effective solution to enable centralized representation aggregation within this context. Results on Starcraft Multi-Agent Challenge (SMAC) show that it outperforms strong model-free approaches and existing model-based methods in both sample efficiency and overall performance.
Authors: Zhengyu Hu, Linxin Song, Jieyu Zhang, Zheyuan Xiao, Tianfu Wang, Zhengyu Chen, Nicholas Jing Yuan, Jianxun Lian, Kaize Ding, Hui Xiong
Abstract: The use of large language models (LLMs) as judges, particularly in preference comparisons, has become widespread, but this reveals a notable bias towards longer responses, undermining the reliability of such evaluations. To better understand such bias, we propose to decompose the preference evaluation metric, specifically the win rate, into two key components: desirability and information mass, where the former is length-independent and related to trustworthiness such as correctness, toxicity, and consistency, and the latter is length-dependent and represents the amount of information in the response. We empirically demonstrated the decomposition through controlled experiments and found that response length impacts evaluations by influencing information mass. To derive a reliable evaluation metric that assesses content quality without being confounded by response length, we propose AdapAlpaca, a simple yet effective adjustment to win rate measurement. Specifically, AdapAlpaca ensures a fair comparison of response quality by aligning the lengths of reference and test model responses under equivalent length intervals.
Authors: Teddy Lazebnik
Abstract: Detecting and understanding out-of-distribution (OOD) samples is crucial in machine learning (ML) to ensure reliable model performance. Current OOD studies primarily focus on extrapolatory (outside) OOD, neglecting potential cases of interpolatory (inside) OOD. In this study, we introduce a novel perspective on OOD by suggesting it can be divided into inside and outside cases. We examine the inside-outside OOD profiles of datasets and their impact on ML model performance, using normalized Root Mean Squared Error (RMSE) and F1 score as the performance metrics on syntetically-generated datasets with both inside and outside OOD. Our analysis demonstrates that different inside-outside OOD profiles lead to unique effects on ML model performance, with outside OOD generally causing greater performance degradation, on average. These findings highlight the importance of distinguishing between inside and outside OOD for developing effective counter-OOD methods.
Authors: Yu Sun, Xinhao Li, Karan Dalal, Jiarui Xu, Arjun Vikram, Genghan Zhang, Yann Dubois, Xinlei Chen, Xiaolong Wang, Sanmi Koyejo, Tatsunori Hashimoto, Carlos Guestrin
Abstract: Self-attention performs well in long context but has quadratic complexity. Existing RNN layers have linear complexity, but their performance in long context is limited by the expressive power of their hidden states. We present a practical framework for instantiating sequence modeling layers with linear complexity and expressive hidden states. The key idea is to make the hidden state a machine learning model itself, and the update rule a step of self-supervised learning. Since the hidden state is updated by training even on test sequences, our layers are called Test-Time Training (TTT) layers. We consider two instantiations: TTT-Linear and TTT-MLP, whose hidden state is a linear model and a two-layer MLP respectively. We evaluate our instantiations at the scale of 125M to 1.3B parameters, comparing with a strong Transformer and Mamba, a modern RNN. Similar to Transformer, TTT-Linear and TTT-MLP can keep reducing perplexity by conditioning on more tokens, while Mamba cannot after 16k context. TTT-MLP still faces challenges in memory I/O, but shows larger potential in long context, pointing to a promising direction for future research.
Authors: C\'edric Allier, Magdalena C. Schneider, Michael Innerberger, Larissa Heinrich, John A. Bogovic, Stephan Saalfeld
Abstract: Natural physical, chemical, and biological dynamical systems are often complex, with heterogeneous components interacting in diverse ways. We show how simple graph neural networks can be designed to jointly learn the interaction rules and the latent heterogeneity from observable dynamics. The learned latent heterogeneity and dynamics can be used to virtually decompose the complex system which is necessary to infer and parameterize the underlying governing equations. We tested the approach with simulation experiments of interacting moving particles, vector fields, and signaling networks. While our current aim is to better understand and validate the approach with simulated data, we anticipate it to become a generally applicable tool to uncover the governing rules underlying complex dynamics observed in nature.
Authors: Haoyu Tang, Ye Liu, Xi Zhao, Xukai Liu, Yanghai Zhang, Kai Zhang, Xiaofang Zhou, Enhong Chen
Abstract: Recent advances in machine learning, particularly in Natural Language Processing (NLP), have produced powerful models trained on vast datasets. However, these models risk leaking sensitive information, raising privacy concerns. In response, regulatory measures such as the European Union's General Data Protection Regulation (GDPR) have driven increasing interest in Machine Unlearning techniques, which enable models to selectively forget specific data entries. Early unlearning approaches primarily relied on pre-processing methods, while more recent research has shifted towards training-based solutions. Despite their effectiveness, a key limitation persists: most methods require access to original training data, which is often unavailable. Additionally, directly applying unlearning techniques bears the cost of undermining the model's expressive capabilities. To address these challenges, we introduce the Iterative Contrastive Unlearning (ICU) framework, which consists of three core components: A Knowledge Unlearning Induction module designed to target specific knowledge for removal using an unlearning loss; A Contrastive Learning Enhancement module to preserve the model's expressive capabilities against the pure unlearning goal; And an Iterative Unlearning Refinement module that dynamically adjusts the unlearning process through ongoing evaluation and updates. Experimental results demonstrate the efficacy of our ICU method in unlearning sensitive information while maintaining the model's overall performance, offering a promising solution for privacy-conscious machine learning applications.
Authors: Hangfeng He, Weijie J. Su
Abstract: Large language models (LLMs) have been widely employed across various application domains, yet their black-box nature poses significant challenges to understanding how these models process input data internally to make predictions. In this paper, we introduce a precise and quantitative law that governs the learning of contextualized token embeddings through intermediate layers in pre-trained LLMs for next-token prediction. Our findings reveal that each layer contributes equally to enhancing prediction accuracy, from the lowest to the highest layer -- a universal phenomenon observed across a diverse array of open-source LLMs, irrespective of their architectures or pre-training data. We demonstrate that this law offers new perspectives and actionable insights to inform and guide practices in LLM development and applications, including model scaling, pre-training tasks, and interpretation.
Authors: Pooja Krishan, Rohan Mohapatra, Sanchari Das, Saptarshi Sengupta
Abstract: The emergence of deep learning models has revolutionized various industries over the last decade, leading to a surge in connected devices and infrastructures. However, these models can be tricked into making incorrect predictions with high confidence, leading to disastrous failures and security concerns. To this end, we explore the impact of adversarial attacks on multivariate time-series forecasting and investigate methods to counter them. Specifically, we employ untargeted white-box attacks, namely the Fast Gradient Sign Method (FGSM) and the Basic Iterative Method (BIM), to poison the inputs to the training process, effectively misleading the model. We also illustrate the subtle modifications to the inputs after the attack, which makes detecting the attack using the naked eye quite difficult. Having demonstrated the feasibility of these attacks, we develop robust models through adversarial training and model hardening. We are among the first to showcase the transferability of these attacks and defenses by extrapolating our work from the benchmark electricity data to a larger, 10-year real-world data used for predicting the time-to-failure of hard disks. Our experimental results confirm that the attacks and defenses achieve the desired security thresholds, leading to a 72.41% and 94.81% decrease in RMSE for the electricity and hard disk datasets respectively after implementing the adversarial defenses.
Authors: Arthur da Cunha, Mikael M{\o}ller H{\o}gsgaard, Kasper Green Larsen
Abstract: Recent works on the parallel complexity of Boosting have established strong lower bounds on the tradeoff between the number of training rounds $p$ and the total parallel work per round $t$. These works have also presented highly non-trivial parallel algorithms that shed light on different regions of this tradeoff. Despite these advancements, a significant gap persists between the theoretical lower bounds and the performance of these algorithms across much of the tradeoff space. In this work, we essentially close this gap by providing both improved lower bounds on the parallel complexity of weak-to-strong learners, and a parallel Boosting algorithm whose performance matches these bounds across the entire $p$ vs.~$t$ compromise spectrum, up to logarithmic factors. Ultimately, this work settles the true parallel complexity of Boosting algorithms that are nearly sample-optimal.
Authors: Renato Berlinghieri, David R. Burt, Paolo Giani, Arlene M. Fiore, Tamara Broderick
Abstract: Wildfire frequency is increasing as the climate changes, and the resulting air pollution poses health risks. Just as people routinely use hourly weather forecasts to plan their day's activities around precipitation, reliable hourly air quality forecasts could help individuals reduce their exposure to air pollution. In the present work, we evaluate six existing forecasts of ground-level fine particulate matter (PM2.5) within the continental United States during the 2023 fire season. We include forecasts using physical simulation, ensembling, and artificial intelligence. We focus our evaluation on individual decisions, such as (1) whether to go outside on a day with potentially high PM2.5 or (2) when to go outside for the lowest PM2.5 exposure. Our evaluation consists of both visualizations of hourly PM2.5 forecasts in particular locations as well as metrics summarizing forecast skill for the two tasks above. As part of our analysis, we introduce a new evaluation metric for the task of deciding when to go outside. We find meaningful room for improvement in PM2.5 forecasting, which might be realized by improving physical models, incorporating more data sources, and using artificial intelligence tools.
Authors: Arash Tavakoli, Sina Ghiassian, Nemanja Raki\'cevi\'c
Abstract: While conventional wisdom holds that policy gradient methods are better suited to complex action spaces than action-value methods, foundational work has shown that the two paradigms are equivalent in small, finite action spaces (O'Donoghue et al., 2017; Schulman et al., 2017a). This raises the question of why their computational applicability and performance diverge as the complexity of the action space increases. We hypothesize that the apparent superiority of policy gradients in such settings stems not from intrinsic qualities of the paradigm but from universal principles that can also be applied to action-value methods, enabling similar functions. We identify three such principles and provide a framework for incorporating them into action-value methods. To support our hypothesis, we instantiate this framework in what we term QMLE, for Q-learning with maximum likelihood estimation. Our results show that QMLE can be applied to complex action spaces at a computational cost comparable to that of policy gradient methods, all without using policy gradients. Furthermore, QMLE exhibits strong performance on the DeepMind Control Suite, even when compared to state-of-the-art methods such as DMPO and D4PG.
Authors: Guy Blanc, Gregory Valiant
Abstract: We resolve a fundamental question about the ability to perform a statistical task, such as learning, when an adversary corrupts the sample. Such adversaries are specified by the types of corruption they can make and their level of knowledge about the sample. The latter distinguishes between sample-adaptive adversaries which know the contents of the sample when choosing the corruption, and sample-oblivious adversaries, which do not. We prove that for all types of corruptions, sample-adaptive and sample-oblivious adversaries are \emph{equivalent} up to polynomial factors in the sample size. This resolves the main open question introduced by [BLMT22] and further explored in [CHL+23]. Specifically, consider any algorithm $A$ that solves a statistical task even when a sample-oblivious adversary corrupts its input. We show that there is an algorithm $A'$ that solves the same task when the corresponding sample-adaptive adversary corrupts its input. The construction of $A'$ is simple and maintains the computational efficiency of $A$: It requests a polynomially larger sample than $A$ uses and then runs $A$ on a uniformly random subsample.
Authors: Shubhajit Roy, Hrriday Ruparel, Kishan Ved, Anirban Dasgupta
Abstract: Scalability of Graph Neural Networks (GNNs) remains a significant challenge. To tackle this, methods like coarsening, condensation, and computation trees are used to train on a smaller graph, resulting in faster computation. Nonetheless, prior research has not adequately addressed the computational costs during the inference phase. This paper presents a novel approach to improve the scalability of GNNs by reducing computational burden during the inference phase using graph coarsening. We demonstrate two different methods -- Extra Nodes and Cluster Nodes. Our study extends the application of graph coarsening for graph-level tasks, including graph classification and graph regression. We conduct extensive experiments on multiple benchmark datasets to evaluate the performance of our approach. Our results show that the proposed method achieves orders of magnitude improvements in single-node inference time compared to traditional approaches. Furthermore, it significantly reduces memory consumption for node and graph classification and regression tasks, enabling efficient training and inference on low-resource devices where conventional methods are impractical. Notably, these computational advantages are achieved while maintaining competitive performance relative to baseline models.
Authors: Nithin Somasekharan, Shaowu Pan
Abstract: Representation learning for high-dimensional, complex physical systems aims to identify a low-dimensional intrinsic latent space, which is crucial for reduced-order modeling and modal analysis. To overcome the well-known Kolmogorov barrier, deep autoencoders (AEs) have been introduced in recent years, but they often suffer from poor convergence behavior as the rank of the latent space increases. To address this issue, we propose the learnable weighted hybrid autoencoder, a hybrid approach that combines the strengths of singular value decomposition (SVD) with deep autoencoders through a learnable weighted framework. We find that the introduction of learnable weighting parameters is essential -- without them, the resulting model would either collapse into a standard POD or fail to exhibit the desired convergence behavior. Interestingly, we empirically find that our trained model has a sharpness thousands of times smaller compared to other models. Our experiments on classical chaotic PDE systems, including the 1D Kuramoto-Sivashinsky and forced isotropic turbulence datasets, demonstrate that our approach significantly improves generalization performance compared to several competing methods. Additionally, when combining with time series modeling techniques (e.g., Koopman operator, LSTM), the proposed technique offers significant improvements for surrogate modeling of high-dimensional multi-scale PDE systems.
Authors: I-Cheng Lin, Osman Yagan, Carlee Joe-Wong
Abstract: Federated learning has recently gained popularity as a framework for distributed clients to collaboratively train a machine learning model using local data. While traditional federated learning relies on a central server for model aggregation, recent advancements adopt a decentralized framework, enabling direct model exchange between clients and eliminating the single point of failure. However, existing decentralized frameworks often assume all clients train a shared model. Personalizing each client's model can enhance performance, especially with heterogeneous client data distributions. We propose FedSPD, an efficient personalized federated learning algorithm for the decentralized setting, and show that it learns accurate models even in low-connectivity networks. To provide theoretical guarantees on convergence, we introduce a clustering-based framework that enables consensus on models for distinct data clusters while personalizing to unique mixtures of these clusters at different clients. This flexibility, allowing selective model updates based on data distribution, substantially reduces communication costs compared to prior work on personalized federated learning in decentralized settings. Experimental results on real-world datasets show that FedSPD outperforms multiple decentralized variants of personalized federated learning algorithms, especially in scenarios with low-connectivity networks.
Authors: Yunkai Dang, Mengxi Gao, Yibo Yan, Xin Zou, Yanggan Gu, Jungang Li, Jingyu Wang, Peijie Jiang, Aiwei Liu, Jia Liu, Xuming Hu
Abstract: Multimodal large language models (MLLMs) have recently achieved state-of-the-art performance on tasks ranging from visual question answering to video understanding. However, existing studies have concentrated mainly on visual-textual misalignment, leaving largely unexplored the MLLMs' ability to preserve an originally correct answer when confronted with misleading information. We reveal a response uncertainty phenomenon: across nine standard datasets, twelve state-of-the-art open-source MLLMs overturn a previously correct answer in 65% of cases after receiving a single deceptive cue. To systematically quantify this vulnerability, we propose a two-stage evaluation pipeline: (1) elicit each model's original response on unperturbed inputs; (2) inject explicit (false-answer hints) and implicit (contextual contradictions) misleading instructions, and compute the misleading rate - the fraction of correct-to-incorrect flips. Leveraging the most susceptible examples, we curate the Multimodal Uncertainty Benchmark (MUB), a collection of image-question pairs stratified into low, medium, and high difficulty based on how many of twelve state-of-the-art MLLMs they mislead. Extensive evaluation on twelve open-source and five closed-source models reveals a high uncertainty: average misleading rates exceed 86%, with explicit cues over 67.19% and implicit cues over 80.67%. To reduce the misleading rate, we then fine-tune all open-source MLLMs on a compact 2000-sample mixed-instruction dataset, reducing misleading rates to 6.97% (explicit) and 32.77% (implicit), boosting consistency by nearly 29.37% on highly deceptive inputs, and slightly improving accuracy on standard benchmarks. Our code is available at https://github.com/Yunkaidang/uncertainty
Authors: Abdullah Abdullah, Fannya Ratana Sandjaja, Ayesha Abdul Majeed, Gyan Wickremasinghe, Karen Rafferty, Vishal Sharma
Abstract: This study investigates uncertainty quantification (UQ) using quantum-classical hybrid machine learning (ML) models for applications in complex and dynamic fields, such as attaining resiliency in supply chain digital twins and financial risk assessment. Although quantum feature transformations have been integrated into ML models for complex data tasks, a gap exists in determining their impact on UQ within their hybrid architectures (quantum-classical approach). This work applies existing UQ techniques for different models within a hybrid framework, examining how quantum feature transformation affects uncertainty propagation. Increasing qubits from 4 to 16 shows varied model responsiveness to outlier detection (OD) samples, which is a critical factor for resilient decision-making in dynamic environments. This work shows how quantum computing techniques can transform data features for UQ, particularly when combined with classical methods.
Authors: Micha Livne
Abstract: Learning representations that generalize well to unknown downstream tasks is a central challenge in representation learning. Existing approaches such as contrastive learning, self-supervised masking, and denoising auto-encoders address this challenge with varying trade-offs. In this paper, we introduce the {contrastive Mutual Information Machine} (cMIM), a probabilistic framework that augments the Mutual Information Machine (MIM) with a novel contrastive objective. While MIM maximizes mutual information between inputs and latent variables and encourages clustering of latent codes, its representations underperform on discriminative tasks compared to state-of-the-art alternatives. cMIM addresses this limitation by enforcing global discriminative structure while retaining MIM's generative strengths. We present two main contributions: (1) we propose cMIM, a contrastive extension of MIM that eliminates the need for positive data augmentation and is robust to batch size, unlike InfoNCE-based methods; (2) we introduce {informative embeddings}, a general technique for extracting enriched representations from encoder--decoder models that substantially improve discriminative performance without additional training, and which apply broadly beyond MIM. Empirical results demonstrate that cMIM consistently outperforms MIM and InfoNCE in classification and regression tasks, while preserving comparable reconstruction quality. These findings suggest that cMIM provides a unified framework for learning representations that are simultaneously effective for discriminative and generative applications.
Authors: Omar Naim, Guilhem Fouilh\'e, Nicholas Asher
Abstract: In-context learning (ICL) has emerged as a powerful paradigm for easily adapting Large Language Models (LLMs) to various tasks. However, our understanding of how ICL works remains limited. We explore a simple model of ICL in a controlled setup with synthetic training data to investigate ICL of univariate linear functions. We experiment with a range of GPT-2-like transformer models trained from scratch. Our findings challenge the prevailing narrative that transformers adopt algorithmic approaches like linear regression to learn a linear function in-context. These models fail to generalize beyond their training distribution, highlighting fundamental limitations in their capacity to infer abstract task structures. Our experiments lead us to propose a mathematically precise hypothesis of what the model might be learning.
Authors: Yanqi Zhang, Yuwei Hu, Runyuan Zhao, John C. S. Lui, Haibo Chen
Abstract: Large language models (LLMs) demonstrate remarkable capabilities but face substantial serving costs due to their high memory demands, with the key-value (KV) cache being a primary bottleneck. State-of-the-art KV cache compression techniques, such as quantization and pruning, apply uniform treatment to both keys and values, and discard unimportant tokens entirely, overlooking the fine-grained distinctions in the significance of individual KV cache components. To address such limitations, we introduce \textit{DiffKV}, a novel framework for efficient KV cache compression that exploits three levels of differentiation in the KV cache: (1) the differing impact of keys and values on attention computation, (2) the varying importance of tokens, and (3) the diverse dynamic sparsity patterns across attention heads. These levels of differentiation introduce irregular memory usage patterns across different requests and attention heads, posing significant scalability challenges for memory management. To address these challenges, DiffKV proposes an on-GPU memory manager that compacts fragmented free memory list into contiguous regions in parallel, effectively translating sparsity in the KV cache into performance gains. We evaluate DiffKV on several mainstream LLMs, including the emerging thinking models that generate extended chains of thought. DiffKV is able to compress the KV cache by $2.7\times$ to $5.7\times$ with near-lossless accuracy on complex workloads requiring sophisticated reasoning and long-generation capabilities, and enhances throughput by $1.9\times$ to $5.4\times$. Source codes of DiffKV are available at https://github.com/zyqCSL/DiffKV.
Authors: Hanping Zhang, Yuhong Guo
Abstract: Learning from Demonstration (LfD) is a well-established problem in Reinforcement Learning (RL), which aims to facilitate rapid RL by leveraging expert demonstrations to pre-train the RL agent. However, the limited availability of expert demonstration data often hinders its ability to effectively aid downstream RL learning. To address this problem, we propose a novel two-stage method dubbed as Skill-enhanced Reinforcement Learning Acceleration (SeRLA). SeRLA introduces a skill-level adversarial Positive-Unlabeled (PU) learning model that extracts useful skill prior knowledge by learning from both expert demonstrations and general low-cost demonstrations in the offline prior learning stage. Building on this, it employs a skill-based soft actor-critic algorithm to leverage the acquired priors for efficient training of a skill policy network in the downstream online RL stage. In addition, we propose a simple skill-level data enhancement technique to mitigate data sparsity and further improve both skill prior learning and skill policy training. Experiments across multiple standard RL benchmarks demonstrate that SeRLA achieves state-of-the-art performance in accelerating reinforcement learning on downstream tasks, particularly in the early training phase.
Authors: Yael Itzhakev, Amit Giloni, Yuval Elovici, Asaf Shabtai
Abstract: Machine learning models trained on tabular data are vulnerable to adversarial attacks, even in realistic scenarios where attackers only have access to the model's outputs. Since tabular data contains complex interdependencies among features, it presents a unique challenge for adversarial samples which must maintain coherence and respect these interdependencies to remain indistinguishable from benign data. Moreover, existing attack evaluation metrics-such as the success rate, perturbation magnitude, and query count-fail to account for this challenge. To address those gaps, we propose a technique for perturbing dependent features while preserving sample coherence. In addition, we introduce Class-Specific Anomaly Detection (CSAD), an effective novel anomaly detection approach, along with concrete metrics for assessing the quality of tabular adversarial attacks. CSAD evaluates adversarial samples relative to their predicted class distribution, rather than a broad benign distribution. It ensures that subtle adversarial perturbations, which may appear coherent in other classes, are correctly identified as anomalies. We integrate SHAP explainability techniques to detect inconsistencies in model decision-making, extending CSAD for SHAP-based anomaly detection. Our evaluation incorporates both anomaly detection rates with SHAP-based assessments to provide a more comprehensive measure of adversarial sample quality. We evaluate various attack strategies, examining black-box query-based and transferability-based gradient attacks across four target models. Experiments on benchmark tabular datasets reveal key differences in the attacker's risk and effort and attack quality, offering insights into the strengths, limitations, and trade-offs faced by attackers and defenders. Our findings lay the groundwork for future research on adversarial attacks and defense development in the tabular domain.
Authors: Da Li, Junping Yin, Jin Xu, Xinxin Li, Juan Zhang
Abstract: Extracting simple mathematical expression from an observational dataset to describe complex natural phenomena is one of the core objectives of artificial intelligence (AI). This field is known as symbolic regression (SR). Traditional SR models are based on genetic programming (GP) or reinforcement learning (RL), facing well-known challenges, such as low efficiency and overfitting. Recent studies have integrated SR with large language models (LLMs), enabling fast zero-shot inference by learning mappings from millions of dataset-expression pairs. However, since the input and output are inherently different modalities, such models often struggle to converge effectively. In this paper, we introduce ViSymRe, a vision-guided multimodal SR model that incorporates the third resource, expression graph, to bridge the modality gap. Different from traditional multimodal models, ViSymRe is trained to extract vision, termed virtual vision, from datasets, without relying on the global availability of expression graphs, which addresses the essential challenge of visual SR, i.e., expression graphs are not available during inference. Evaluation results on multiple mainstream benchmarks show that ViSymRe achieves more competitive performance than the state-of-the-art dataset-only baselines. The expressions predicted by ViSymRe not only fit the dataset well but are also simple and structurally accurate, goals that SR models strive to achieve.
Authors: Zihao Li, Dongqi Fu, Mengting Ai, Jingrui He
Abstract: Knowledge graphs (KGs), which store an extensive number of relational facts, serve various applications. Recently, personalized knowledge graphs (PKGs) have emerged as a solution to optimize storage costs by customizing their content to align with users' specific interests within particular domains. In the real world, on one hand, user queries and their underlying interests are inherently evolving, requiring PKGs to adapt continuously; on the other hand, the summarization is constantly expected to be as small as possible in terms of storage cost. However, the existing PKG summarization methods implicitly assume that the user's interests are constant and do not shift. Furthermore, when the size constraint of PKG is extremely small, the existing methods cannot distinguish which facts are more of immediate interest and guarantee the utility of the summarized PKG. To address these limitations, we propose APEX$^2$, a highly scalable PKG summarization framework designed with robust theoretical guarantees to excel in adaptive summarization tasks with extremely small size constraints. To be specific, after constructing an initial PKG, APEX$^2$ continuously tracks the interest shift and adjusts the previous summary. We evaluate APEX$^2$ under an evolving query setting on benchmark KGs containing up to 12 million triples, summarizing with compression ratios $\leq 0.1\%$. The experiments show that APEX outperforms state-of-the-art baselines in terms of both query-answering accuracy and efficiency. Code is available at https://github.com/iDEA-iSAIL-Lab-UIUC/APEX.
Authors: Xingshuai Huang, Di Wu, Benoit Boulet
Abstract: Offline reinforcement learning (RL) enables policy learning from pre-collected offline datasets, relaxing the need to interact directly with the environment. However, limited by the quality of offline datasets, it generally fails to learn well-qualified policies in suboptimal datasets. To address datasets with insufficient optimal demonstrations, we introduce Goal-cOnditioned Data Augmentation (GODA), a novel goal-conditioned diffusion-based method for augmenting samples with higher quality. Leveraging recent advancements in generative modelling, GODA incorporates a novel return-oriented goal condition with various selection mechanisms. Specifically, we introduce a controllable scaling technique to provide enhanced return-based guidance during data sampling. GODA learns a comprehensive distribution representation of the original offline datasets while generating new data with selectively higher-return goals, thereby maximizing the utility of limited optimal demonstrations. Furthermore, we propose a novel adaptive gated conditioning method for processing noisy inputs and conditions, enhancing the capture of goal-oriented guidance. We conduct experiments on the D4RL benchmark and real-world challenges, specifically traffic signal control (TSC) tasks, to demonstrate GODA's effectiveness in enhancing data quality and superior performance compared to state-of-the-art data augmentation methods across various offline RL algorithms.
Authors: Tobias Rohe, Florian Burger, Michael K\"olle, Sebastian W\"olckert, Maximilian Zorn, Claudia Linnhoff-Popien
Abstract: The demand for artificially generated data for the development, training and testing of new algorithms is omnipresent. Quantum computing (QC), does offer the hope that its inherent probabilistic functionality can be utilised in this field of generative artificial intelligence. In this study, we use quantum-classical hybrid generative adversarial networks (QuGANs) to artificially generate graphs of shipping routes. We create a training dataset based on real shipping data and investigate to what extent QuGANs are able to learn and reproduce inherent distributions and geometric features of this data. We compare hybrid QuGANs with classical Generative Adversarial Networks (GANs), with a special focus on their parameter efficiency. Our results indicate that QuGANs are indeed able to quickly learn and represent underlying geometric properties and distributions, although they seem to have difficulties in introducing variance into the sampled data. Compared to classical GANs of greater size, measured in the number of parameters used, some QuGANs show similar result quality. Our reference to concrete use cases, such as the generation of shipping data, provides an illustrative example and demonstrate the potential and diversity in which QC can be used.
Authors: Harshwardhan Praveen, Jacob Brown, Christopher Earls
Abstract: In this work, we present a mesh-independent, data-driven library, chebgreen, to mathematically model one-dimensional systems, possessing an associated control parameter, and whose governing partial differential equation is unknown. The proposed method learns an Empirical Green's Function for the associated, but hidden, boundary value problem, in the form of a Rational Neural Network from which we subsequently construct a bivariate representation in a Chebyshev basis. We uncover the Green's function, at an unseen control parameter value, by interpolating the left and right singular functions within a suitable library, expressed as points on a manifold of Quasimatrices, while the associated singular values are interpolated with Lagrange polynomials.
Authors: Kemal Kurniawan, Meladel Mistica, Timothy Baldwin, Jey Han Lau
Abstract: Human label variation (HLV) challenges the standard assumption that a labelled instance has a single ground truth, instead embracing the natural variation in human annotation to train and evaluate models. While various training methods and metrics for HLV have been proposed, it is still unclear which methods and metrics perform best in what settings. We propose new evaluation metrics for HLV leveraging fuzzy set theory. Since these new proposed metrics are differentiable, we then in turn experiment with employing these metrics as training objectives. We conduct an extensive study over 6 HLV datasets testing 14 training methods and 6 evaluation metrics. We find that training on either disaggregated annotations or soft labels performs best across metrics, outperforming training using the proposed training objectives with differentiable metrics. We also show that our proposed soft micro F1 score is one of the best metrics for HLV data.
Authors: Giovanni Ballarin, Lyudmila Grigoryeva, Juan-Pablo Ortega
Abstract: The total memory capacity (MC) of linear recurrent neural networks (RNNs) has been proven to be equal to the rank of the corresponding Kalman controllability matrix, and it is almost surely maximal for connectivity and input weight matrices drawn from regular distributions. This fact questions the usefulness of this metric in distinguishing the performance of linear RNNs in the processing of stochastic signals. This work shows that the MC of random nonlinear RNNs yields arbitrary values within established upper and lower bounds depending exclusively on the scale of the input process. This confirms that the existing definition of MC in linear and nonlinear cases has no practical value.
Authors: Akash Kumar
Abstract: The success of deep networks is crucially attributed to their ability to capture latent features within a representation space. In this work, we investigate whether the underlying learned features of a model can be efficiently retrieved through feedback from an agent, such as a large language model (LLM), in the form of relative \tt{triplet comparisons}. These features may represent various constructs, including dictionaries in LLMs or a covariance matrix of Mahalanobis distances. We analyze the feedback complexity associated with learning a feature matrix in sparse settings. Our results establish tight bounds when the agent is permitted to construct activations and demonstrate strong upper bounds in sparse scenarios when the agent's feedback is limited to distributional information. We validate our theoretical findings through experiments on two distinct applications: feature recovery from Recursive Feature Machines and dictionary extraction from sparse autoencoders trained on Large Language Models.
Authors: Cheuk Kit Lee, Paul Jeha, Jes Frellsen, Pietro Lio, Michael Samuel Albergo, Francisco Vargas
Abstract: Discrete diffusion models are a class of generative models that produce samples from an approximated data distribution within a discrete state space. Often, there is a need to target specific regions of the data distribution. Current guidance methods aim to sample from a distribution with mass proportional to $p_0(x_0) p(\zeta|x_0)^\alpha$ but fail to achieve this in practice. We introduce a Sequential Monte Carlo algorithm that generates unbiasedly from this target distribution, utilising the learnt unconditional and guided process. We validate our approach on low-dimensional distributions, controlled images and text generations. For text generation, our method provides strong control while maintaining low perplexity compared to guidance-based approaches.
Authors: Jingchao Ni, Ziming Zhao, ChengAo Shen, Hanghang Tong, Dongjin Song, Wei Cheng, Dongsheng Luo, Haifeng Chen
Abstract: Time series analysis has witnessed the inspiring development from traditional autoregressive models, deep learning models, to recent Transformers and Large Language Models (LLMs). Efforts in leveraging vision models for time series analysis have also been made along the way but are less visible to the community due to the predominant research on sequence modeling in this domain. However, the discrepancy between continuous time series and the discrete token space of LLMs, and the challenges in explicitly modeling the correlations of variates in multivariate time series have shifted some research attentions to the equally successful Large Vision Models (LVMs) and Vision Language Models (VLMs). To fill the blank in the existing literature, this survey discusses the advantages of vision models over LLMs in time series analysis. It provides a comprehensive and in-depth overview of the existing methods, with dual views of detailed taxonomy that answer the key research questions including how to encode time series as images and how to model the imaged time series for various tasks. Additionally, we address the challenges in the pre- and post-processing steps involved in this framework and outline future directions to further advance time series analysis with vision models.
Authors: Xinyi Gao, Dongting Xie, Yihang Zhang, Zhengren Wang, Conghui He, Hongzhi Yin, Wentao Zhang
Abstract: With the expansion of data availability, machine learning (ML) has achieved remarkable breakthroughs in both academia and industry. However, imbalanced data distributions are prevalent in various types of raw data and severely hinder the performance of ML by biasing the decision-making processes. To deepen the understanding of imbalanced data and facilitate the related research and applications, this survey systematically analyzes various real-world data formats and concludes existing researches for different data formats into four distinct categories: data re-balancing, feature representation, training strategy, and ensemble learning. This structured analysis helps researchers comprehensively understand the pervasive nature of imbalance across diverse data formats, thereby paving a clearer path toward achieving specific research goals. We provide an overview of relevant open-source libraries, spotlight current challenges, and offer novel insights aimed at fostering future advancements in this critical area of study.
Authors: Pirzada Suhail, Vrinda Goel, Amit Sethi
Abstract: Shortcut learning, where machine learning models exploit spurious correlations in data instead of capturing meaningful features, poses a significant challenge to building robust and generalizable models. This phenomenon is prevalent across various machine learning applications, including vision, natural language processing, and speech recognition, where models may find unintended cues that minimize training loss but fail to capture the underlying structure of the data. Vision classifiers based on Convolutional Neural Networks (CNNs), Multi-Layer Perceptrons (MLPs), and Vision Transformers (ViTs) leverage distinct architectural principles to process spatial and structural information, making them differently susceptible to shortcut learning. In this study, we systematically evaluate these architectures by introducing deliberate shortcuts into the dataset that are correlated with class labels both positionally and via intensity, creating a controlled setup to assess whether models rely on these artificial cues or learn actual distinguishing features. We perform both quantitative evaluation by training on the shortcut-modified dataset and testing on two different test sets-one containing the same shortcuts and another without them-to determine the extent of reliance on shortcuts. Additionally, qualitative evaluation is performed using network inversion-based reconstruction techniques to analyze what the models internalize in their weights, aiming to reconstruct the training data as perceived by the classifiers. Further, we evaluate susceptibility to shortcut learning across different learning rates. Our analysis reveals that CNNs at lower learning rates tend to be more reserved against entirely picking up shortcut features, while ViTs, particularly those without positional encodings, almost entirely ignore the distinctive image features in the presence of shortcuts.
Authors: Alessandro Gambetti, Qiwei Han, Hong Shen, Claudia Soares
Abstract: Explainable AI (XAI) has become a crucial component of Clinical Decision Support Systems (CDSS) to enhance transparency, trust, and clinical adoption. However, while many XAI methods have been proposed, their effectiveness in real-world medical settings remains underexplored. This paper provides a survey of human-centered evaluations of Explainable AI methods in Clinical Decision Support Systems. By categorizing existing works based on XAI methodologies, evaluation frameworks, and clinical adoption challenges, we offer a structured understanding of the landscape. Our findings reveal key challenges in the integration of XAI into healthcare workflows and propose a structured framework to align the evaluation methods of XAI with the clinical needs of stakeholders.
Authors: Patryk Marsza{\l}ek, Klaudia Ba{\l}azy, Jacek Tabor, Tomasz Ku\'smierczyk
Abstract: Low-Rank Adaptation (LoRA) enables parameter-efficient fine-tuning of large language models by decomposing weight updates into low-rank matrices, significantly reducing storage and computational overhead. While effective, standard LoRA lacks mechanisms for uncertainty quantification, leading to overconfident and poorly calibrated models. Bayesian variants of LoRA address this limitation, but at the cost of a significantly increased number of trainable parameters, partially offsetting the original efficiency gains. Additionally, these models are harder to train and may suffer from unstable convergence. In this work, we propose a novel parameter-efficient Bayesian LoRA via subspace inference, demonstrating that effective uncertainty quantification can be achieved in very low-dimensional parameter spaces. The proposed method achieves strong performance with improved calibration and generalization while maintaining computational efficiency. Our empirical findings show that, with the appropriate projection of the weight space: (1) uncertainty can be effectively modeled in a low-dimensional space, and (2) weight covariances exhibit low ranks.
Authors: Euntae Choi, Sumin Song, Woosang Lim, Sungjoo Yoo
Abstract: We propose Rotate, Clip, and Partition (RCP), a quantization-aware training (QAT) approach that first realizes extreme compression of LLMs with W2A4KV4(2-bit weight, 4-bit activation, and 4-bit KV cache) configuration. RCP integrates recent rotation techniques with a novel non-uniform weight quantizer design, by quantitatively analyzing the impact of random rotation on 2-bit weight quantization. Our weight quantizer features Learnable Direct Partitioning (LDP), which introduces learnable parameters to directly learn non-uniform intervals jointly with LLM weights. We also present a specialized GPU kernel that supports GEMV on non-uniform W2A4. Experiments show that RCP can compress LLaMA-2-7B to W2A4KV4 with a loss of only 2.84 WikiText2 ppl and 5.29 times reduced memory footprint. Furthermore, RCP can quantize challenging mobile-targeted LLaMA-3.2 models and domain-specific WizardCoder-7B and MetaMath-7B with no critical problems such as convergence failure and repetition. Code is available at https://github.com/ songsm921/RCP.
URLs: https://github.com/
Authors: Akash Kumar, Rahul Parhi, Mikhail Belkin
Abstract: Recent works have characterized the function-space inductive bias of infinite-width bounded-norm single-hidden-layer neural networks as a kind of bounded-variation-type space. This novel neural network Banach space encompasses many classical multivariate function spaces, including certain Sobolev spaces and the spectral Barron spaces. Notably, this Banach space also includes functions that exhibit less classical regularity, such as those that only vary in a few directions. On bounded domains, it is well-established that the Gaussian reproducing kernel Hilbert space (RKHS) strictly embeds into this Banach space, demonstrating a clear gap between the Gaussian RKHS and the neural network Banach space. It turns out that when investigating these spaces on unbounded domains, e.g., all of $\mathbb{R}^d$, the story is fundamentally different. We establish the following fundamental result: Certain functions that lie in the Gaussian RKHS have infinite norm in the neural network Banach space. This provides a nontrivial gap between kernel methods and neural networks by exhibiting functions that kernel methods easily represent, whereas neural networks cannot.
Authors: Tianmi Ma, Jiawei Du, Wenxin Huang, Wenjie Wang, Liang Xie, Xian Zhong, Joey Tianyi Zhou
Abstract: Large language models (LLMs) have demonstrated remarkable capabilities in natural language tasks, yet their performance in dynamic, real-world financial environments remains underexplored. Existing approaches are limited to historical backtesting, where trading actions cannot influence market prices and agents train only on static data. To address this limitation, we present the Agent Trading Arena, a virtual zero-sum stock market in which LLM-based agents engage in competitive multi-agent trading and directly impact price dynamics. By simulating realistic bid-ask interactions, our platform enables training in scenarios that closely mirror live markets, thereby narrowing the gap between training and evaluation. Experiments reveal that LLMs struggle with numerical reasoning when given plain-text data, often overfitting to local patterns and recent values. In contrast, chart-based visualizations significantly enhance both numerical reasoning and trading performance. Furthermore, incorporating a reflection module yields additional improvements, especially with visual inputs. Evaluations on NASDAQ and CSI datasets demonstrate the superiority of our method, particularly under high volatility. All code and data are available at https://github.com/wekjsdvnm/Agent-Trading-Arena.
Authors: Uri Itai, Asael Bar Ilan, Teddy Lazebnik
Abstract: Detecting out-of-distribution (OOD) data is a critical task for maintaining model reliability and robustness. In this study, we propose a novel anomaly detection algorithm that leverages the convex hull (CH) property of a dataset by exploiting the observation that OOD samples marginally increase the CH's volume compared to in-distribution samples. Thus, we establish a decision boundary between OOD and in-distribution data by iteratively computing the CH's volume as samples are removed, stopping when such removal does not significantly alter the CH's volume. The proposed algorithm is evaluated against seven widely used anomaly detection methods across ten datasets, demonstrating performance comparable to state-of-the-art (SOTA) techniques. Furthermore, we introduce a computationally efficient criterion for identifying datasets where the proposed method outperforms existing SOTA approaches.
Authors: Zahiriddin Rustamov, Ayham Zaitouny, Nazar Zaki
Abstract: Instance selection (IS) addresses the critical challenge of reducing dataset size while keeping informative characteristics, becoming increasingly important as datasets grow to millions of instances. Current IS methods often struggle with capturing complex relationships in high-dimensional spaces and scale with large datasets. This paper introduces a graph attention-based instance selection (GAIS) method that uses attention mechanisms to identify informative instances through their structural relationships in graph representations. We present two approaches for scalable graph construction: a distance-based mini-batch sampling technique that achieves dataset-size-independent complexity through strategic batch processing, and a hierarchical hashing approach that enables efficient similarity computation through random projections. The mini-batch approach keeps class distributions through stratified sampling, while the hierarchical hashing method captures relationships at multiple granularities through single-level, multi-level, and multi-view variants. Experiments across 39 datasets show that GAIS achieves reduction rates above 96\% while maintaining or improving model performance relative to state-of-the-art IS methods. The findings show that the distance-based mini-batch approach offers an optimal efficiency for large-scale datasets, while multi-view variants excel on complex, high-dimensional data, demonstrating that attention-based importance scoring can effectively identify instances important for maintaining decision boundaries while avoiding computationally prohibitive pairwise comparisons.
Authors: Sharan Vaswani, Reza Babanezhad
Abstract: Armijo line-search (Armijo-LS) is a standard method to set the step-size for gradient descent (GD). For smooth functions, Armijo-LS alleviates the need to know the global smoothness constant L and adapts to the ``local'' smoothness, enabling GD to converge faster. Existing theoretical analyses show that GD with Armijo-LS (GD-LS) can result in constant factor improvements over GD with a 1/L step-size (denoted as GD(1/L)). We strengthen these results and show that if the objective function satisfies a certain non-uniform smoothness condition, GD-LS can result in a faster convergence rate than GD(1/L). In particular, we prove that for convex objectives corresponding to logistic regression and multi-class classification, GD-LS can converge to the optimum at a linear rate, and hence improves over the sublinear convergence of GD(1/L). Furthermore, for non-convex objectives satisfying gradient domination (e.g., those corresponding to the softmax policy gradient in RL or generalized linear models with a logistic link function), GD-LS can match the fast convergence of algorithms tailored for these specific settings. Finally, we analyze the convergence of stochastic GD with a stochastic line-search on convex losses under the interpolation assumption.
Authors: Zitao Fang, Guodong DU, Shuyang Yu, Yifei Guo, Yiwei Zhang, Yiyao Cao, Jing Li, Ho-Kin Tang, Sim Kuan Goh
Abstract: Fine-tuning pre-trained models on targeted datasets enhances task-specific performance but often comes at the expense of generalization. Model merging techniques, which integrate multiple fine-tuned models into a single multi-task model through task arithmetic, offer a promising solution. However, task interference remains a fundamental challenge, leading to performance degradation and suboptimal merged models. Existing approaches largely overlooked the fundamental roles of neurons, their connectivity, and activation, resulting in a merging process and a merged model that does not consider how neurons relay and process information. In this work, we present the first study that relies on neuronal mechanisms for model merging. Specifically, we decomposed task-specific representations into two complementary neuronal subspaces that regulate input sensitivity and task adaptability. Leveraging this decomposition, we introduced NeuroMerging, a novel merging framework developed to mitigate task interference within neuronal subspaces, enabling training-free model fusion across diverse tasks. Through extensive experiments, we demonstrated that NeuroMerging achieved superior performance compared to existing methods on multi-task benchmarks across both natural language and vision domains. Our findings highlighted the importance of aligning neuronal mechanisms in model merging, offering new insights into mitigating task interference and improving knowledge fusion. Our project is available at https://ZzzitaoFang.github.io/projects/NeuroMerging/.
Authors: Bernd Zimmering, Cec\'ilia Coelho, Vaibhav Gupta, Maria Maleshkova, Oliver Niggemann
Abstract: Modelling forced dynamical systems - where an external input drives the system state - is critical across diverse domains such as engineering, finance, and the natural sciences. In this work, we propose Laplace-Net, a decoupled, solver-free neural framework for learning forced and delay-aware systems. It leverages a Laplace transform-based approach to decompose internal dynamics, external inputs, and initial values into established theoretical concepts, enhancing interpretability. Laplace-Net promotes transferability since the system can be rapidly re-trained or fine-tuned for new forcing signals, providing flexibility in applications ranging from controller adaptation to long-horizon forecasting. Experimental results on eight benchmark datasets - including linear, non-linear, and delayed systems - demonstrate the method's improved accuracy and robustness compared to state-of-the-art approaches, particularly in handling complex and previously unseen inputs.
Authors: Hengyu Wu, Yang Cao
Abstract: As large-scale models such as Large Language Models (LLMs) and Large Multimodal Models (LMMs) see increasing deployment, their privacy risks remain underexplored. Membership Inference Attacks (MIAs), which reveal whether a data point was used in training the target model, are an important technique for exposing or assessing privacy risks and have been shown to be effective across diverse machine learning algorithms. However, despite extensive studies on MIAs in classic models, there remains a lack of systematic surveys addressing their effectiveness and limitations in large-scale models. To address this gap, we provide the first comprehensive review of MIAs targeting LLMs and LMMs, analyzing attacks by model type, adversarial knowledge, and strategy. Unlike prior surveys, we further examine MIAs across multiple stages of the model pipeline, including pre-training, fine-tuning, alignment, and Retrieval-Augmented Generation (RAG). Finally, we identify open challenges and propose future research directions for strengthening privacy resilience in large-scale models.
Authors: Pirzada Suhail, Pravesh Khaparde, Amit Sethi
Abstract: In vision classification, generating inputs that elicit confident predictions is key to understanding model behavior and reliability, especially under adversarial or out-of-distribution (OOD) conditions. While traditional adversarial methods rely on perturbing existing inputs to fool a model, they are inherently input-dependent and often fail to ensure both high confidence and meaningful deviation from the training data. In this work, we extend network inversion techniques to generate Confidently Classified Counterfeits (CCCs), synthetic samples that are confidently classified by the model despite being significantly different from the training distribution and independent of any specific input. We alter inversion technique by replacing soft vector conditioning with one-hot class conditioning and introducing a Kullback-Leibler divergence loss between the one-hot label and the classifier's output distribution. CCCs offer a model-centric perspective on confidence, revealing that models can assign high confidence to entirely synthetic, out-of-distribution inputs. This challenges the core assumption behind many OOD detection techniques based on thresholding prediction confidence, which assume that high-confidence outputs imply in-distribution data, and highlights the need for more robust uncertainty estimation in safety-critical applications.
Authors: Lang Cao, Renhong Chen, Yingtian Zou, Chao Peng, Wu Ning, Huacong Xu, Qian Chen, Yuxian Wang, Peishuo Su, Mofan Peng, Zijie Chen, Yitong Li
Abstract: We introduce the Entropy Driven Uncertainty Process Reward Model (EDU-PRM), a novel entropy-driven training framework for process reward modeling that enables dynamic, uncertainty-aligned segmentation of complex reasoning steps, eliminating the need for costly manual step annotations. Unlike previous Process Reward Models (PRMs) that rely on static partitioning and human labeling, EDU-PRM automatically anchors step boundaries at tokens with high predictive entropy. On the MATH test set, EDU-PRM achieves 65.5% accuracy, surpassing strong public PRM baselines such as Math-Shepherd PRM (61.7%) and Omega PRM (62.4%) under the High Temperature (HT) Sample + BON setting. Furthermore, when replacing HT sampling with EDU sampling, EDU-PRM further improves both accuracy and efficiency: at N=64, accuracy increases from 64.7% (HT Sample + BON) to 67.3% (EDU Sample + BON), while the number of generated tokens is reduced by 47%, demonstrating a superior accuracy-cost balance. On the ProcessBench test set, EDU-PRM achieves a new state-of-the-art accuracy of 88.4% using less than 1.5% of the Qwen2.5-Math-PRM-72B training data, surpassing the previous best of 87.8%. In summary, EDU-PRM provides a scalable and annotation-efficient paradigm for process supervision in mathematical reasoning, opening new avenues for efficient complex reasoning on math.
Authors: Jing Li, Hao Sun
Abstract: Neural networks have emerged as a powerful paradigm for tasks in high energy physics, yet their opaque training process renders them as a black box. In contrast, the traditional cut flow method offers simplicity and interpretability but requires extensive manual tuning to identify optimal cut boundaries. To merge the strengths of both approaches, we propose the Learnable Cut Flow (LCF), a neural network that transforms the traditional cut selection into a fully differentiable, data-driven process. LCF implements two cut strategies-parallel, where observable distributions are treated independently, and sequential, where prior cuts shape subsequent ones-to flexibly determine optimal boundaries. Building on this strategy, we introduce the Learnable Importance, a metric that quantifies feature importance and adjusts their contributions to the loss accordingly, offering model-driven insights unlike ad-hoc metrics. To ensure differentiability, a modified loss function replaces hard cuts with mask operations, preserving data shape throughout the training process. LCF is tested on six varied mock datasets and a realistic diboson vs. QCD dataset. Results demonstrate that LCF 1. accurately learns cut boundaries across typical feature distributions in both parallel and sequential strategies, 2. assigns higher importance to discriminative features with minimal overlap, 3. handles redundant or correlated features robustly, and 4. performs effectively in real-world scenarios. In the diboson dataset, LCF initially underperforms boosted decision trees and multiplayer perceptrons when using all observables. LCF bridges the gap between traditional cut flow method and modern black-box neural networks, delivering actionable insights into the training process and feature importance. Source code and experimental data are available at https://github.com/Star9daisy/learnable-cut-flow.
Authors: Ryan Franks, Alexey Miroshnikov, Konstandinos Kotsiopoulos
Abstract: We develop a novel optimization framework with distribution-based fairness constraints for efficiently producing demographically blind, explainable models across a wide range of fairness levels. This is accomplished through post-processing, avoiding the need for retraining. Our framework, which is based on stochastic gradient descent, can be applied to a wide range of model types, with a particular emphasis on the post-processing of gradient-boosted decision trees. Additionally, we design a broad class of interpretable global bias metrics compatible with our method by building on previous work. We empirically test our methodology on a variety of datasets and compare it to other methods.
Authors: David Leeftink, \c{C}a\u{g}atay Y{\i}ld{\i}z, Steffen Ridderbusch, Max Hinne, Marcel van Gerven
Abstract: Without exact knowledge of the true system dynamics, optimal control of non-linear continuous-time systems requires careful treatment under epistemic uncertainty. In this work, we translate a probabilistic interpretation of the Pontryagin maximum principle to the challenge of optimal control with learned probabilistic dynamics models. Our framework provides a principled treatment of epistemic uncertainty by minimizing the mean Hamiltonian with respect to a posterior distribution over the system dynamics. We propose a multiple shooting numerical method that leverages mean Hamiltonian minimization and is scalable to large-scale probabilistic dynamics models, including ensemble neural ordinary differential equations. Comparisons against other baselines in online and offline model-based reinforcement learning tasks show that our probabilistic Hamiltonian approach leads to reduced trial costs in offline settings and achieves competitive performance in online scenarios. By bridging optimal control and reinforcement learning, our approach offers a principled and practical framework for controlling uncertain systems with learned dynamics.
Authors: Hansheng Chen, Kai Zhang, Hao Tan, Zexiang Xu, Fujun Luan, Leonidas Guibas, Gordon Wetzstein, Sai Bi
Abstract: Diffusion models approximate the denoising distribution as a Gaussian and predict its mean, whereas flow matching models reparameterize the Gaussian mean as flow velocity. However, they underperform in few-step sampling due to discretization error and tend to produce over-saturated colors under classifier-free guidance (CFG). To address these limitations, we propose a novel Gaussian mixture flow matching (GMFlow) model: instead of predicting the mean, GMFlow predicts dynamic Gaussian mixture (GM) parameters to capture a multi-modal flow velocity distribution, which can be learned with a KL divergence loss. We demonstrate that GMFlow generalizes previous diffusion and flow matching models where a single Gaussian is learned with an $L_2$ denoising loss. For inference, we derive GM-SDE/ODE solvers that leverage analytic denoising distributions and velocity fields for precise few-step sampling. Furthermore, we introduce a novel probabilistic guidance scheme that mitigates the over-saturation issues of CFG and improves image generation quality. Extensive experiments demonstrate that GMFlow consistently outperforms flow matching baselines in generation quality, achieving a Precision of 0.942 with only 6 sampling steps on ImageNet 256$\times$256.
Authors: Jeroen Middelhuis, Zaharah Bukhsh, Ivo Adan, Remco Dijkman
Abstract: Resource allocation plays a critical role in minimizing cycle time and improving the efficiency of business processes. Recently, Deep Reinforcement Learning (DRL) has emerged as a powerful technique to optimize resource allocation policies in business processes. In the DRL framework, an agent learns a policy through interaction with the environment, guided solely by reward signals that indicate the quality of its decisions. However, existing algorithms are not suitable for dynamic environments such as business processes. Furthermore, existing DRL-based methods rely on engineered reward functions that approximate the desired objective, but a misalignment between reward and objective can lead to undesired decisions or suboptimal policies. To address these issues, we propose a rollout-based DRL algorithm and a reward function to optimize the objective directly. Our algorithm iteratively improves the policy by evaluating execution trajectories following different actions. Our reward function directly decomposes the objective function of minimizing the cycle time, such that trial-and-error reward engineering becomes unnecessary. We evaluated our method in six scenarios, for which the optimal policy can be computed, and on a set of increasingly complex, realistically sized process models. The results show that our algorithm can learn the optimal policy for the scenarios and outperform or match the best heuristics on the realistically sized business processes.
Authors: Yaoyao Ding, Bohan Hou, Xiao Zhang, Allan Lin, Tianqi Chen, Cody Yu Hao, Yida Wang, Gennady Pekhimenko
Abstract: Serving Large Language Models (LLMs) is critical for AI-powered applications, yet it demands substantial computational resources, particularly in memory bandwidth and computational throughput. Low-precision computation has emerged as a key technique to improve efficiency while reducing resource consumption. Existing approaches for generating low-precision kernels are limited to weight bit widths that are powers of two and suffer from suboptimal performance because of high-level GPU programming abstractions. These abstractions restrict critical optimizations, such as fine-grained register management and optimized memory access patterns, that are essential for efficient low-precision computations. In this paper, we introduce Tilus, a domain-specific language designed for General-Purpose GPU (GPGPU) computing that supports low-precision data types with arbitrary bit widths from 1 to 8 while maintaining GPU programmability. Tilus features a thread-block-level programming model, a hierarchical memory space, a novel algebraic layout system, and extensive support for diverse low-precision data types. Tilus programs are compiled into highly efficient GPU programs through automatic vectorization and instruction selection. Extensive experiments demonstrate that Tilus efficiently supports a full spectrum of low-precision data types, and outperforms state-of-the-art low-precision kernels. Compared to existing compilers such as Triton and Ladder, as well as hand-optimized kernels such as QuantLLM and Marlin, Tilus achieves performance improvements of: $1.75\times$, $2.61\times$, $1.29\times$ and $1.03\times$, respectively. We open-source Tilus at https://github.com/NVIDIA/tilus.
Authors: Soumen Kumar Mondal, Akshit Varmora, Prateek Chanda, Ganesh Ramakrishnan
Abstract: We propose FairPO, a novel framework designed to promote fairness in multi-label classification by directly optimizing preference signals with a group robustness perspective. In our framework, the set of labels is partitioned into privileged and non-privileged groups, and a preference-based loss inspired by Direct Preference Optimization (DPO) is employed to more effectively differentiate true positive labels from confusing negatives within the privileged group, while preserving baseline classification performance for non-privileged labels. By framing the learning problem as a robust optimization over groups, our approach dynamically adjusts the training emphasis toward groups with poorer performance, thereby mitigating bias and ensuring a fairer treatment across diverse label categories. In addition, we outline plans to extend this approach by investigating alternative loss formulations such as Simple Preference Optimisation (SimPO) and Contrastive Preference Optimization (CPO) to exploit reference-free reward formulations and contrastive training signals. Furthermore, we plan to extend FairPO with multilabel generation capabilities, enabling the model to dynamically generate diverse and coherent label sets for ambiguous inputs.
Authors: Xiao Wang, Jong-Youl Choi, Takuya Kurihaya, Isaac Lyngaas, Hong-Jun Yoon, Xi Xiao, David Pugmire, Ming Fan, Nasik M. Nafi, Aristeidis Tsaris, Ashwin M. Aji, Maliha Hossain, Mohamed Wahib, Dali Wang, Peter Thornton, Prasanna Balaprakash, Moetasim Ashfaq, Dan Lu
Abstract: Sparse observations and coarse-resolution climate models limit effective regional decision-making, underscoring the need for robust downscaling. However, existing AI methods struggle with generalization across variables and geographies and are constrained by the quadratic complexity of Vision Transformer (ViT) self-attention. We introduce ORBIT-2, a scalable foundation model for global, hyper-resolution climate downscaling. ORBIT-2 incorporates two key innovations: (1) Residual Slim ViT (Reslim), a lightweight architecture with residual learning and Bayesian regularization for efficient, robust prediction; and (2) TILES, a tile-wise sequence scaling algorithm that reduces self-attention complexity from quadratic to linear, enabling long-sequence processing and massive parallelism. ORBIT-2 scales to 10 billion parameters across 65,536 GPUs, achieving up to 4.1 exaFLOPS sustained throughput and 74--98% strong scaling efficiency. It supports downscaling to 0.9 km global resolution and processes sequences up to 4.2 billion tokens. On 7 km resolution benchmarks, ORBIT-2 achieves high accuracy with $R^2$ scores in the range of 0.98--0.99 against observational data.
Authors: Nathan Justin, Qingshi Sun, Andr\'es G\'omez, Phebe Vayanos
Abstract: In the last few decades, Machine Learning (ML) has achieved significant success across domains ranging from healthcare, sustainability, and the social sciences, to criminal justice and finance. But its deployment in increasingly sophisticated, critical, and sensitive areas affecting individuals, the groups they belong to, and society as a whole raises critical concerns around fairness, transparency and robustness, among others. As the complexity and scale of ML systems and of the settings in which they are deployed grow, so does the need for responsible ML methods that address these challenges while providing guaranteed performance in deployment. Mixed-integer optimization (MIO) offers a powerful framework for embedding responsible ML considerations directly into the learning process while maintaining performance. For example, it enables learning of inherently transparent models that can conveniently incorporate fairness or other domain specific constraints. This tutorial paper provides an accessible and comprehensive introduction to this topic discussing both theoretical and practical aspects. It outlines some of the core principles of responsible ML, their importance in applications, and the practical utility of MIO for building ML models that align with these principles. Through examples and mathematical formulations, it illustrates practical strategies and available tools for efficiently solving MIO problems for responsible ML. It concludes with a discussion on current limitations and open research questions, providing suggestions for future work.
Authors: Feilong Jiang, Xiaonan Hou, Jianqiao Ye, Min Xia
Abstract: Physics-Informed Neural Networks (PINNs) have emerged as a powerful framework for solving partial differential equations (PDEs) by embedding physical laws directly into the loss function. However, as a fundamental optimization issue, internal covariate shift (ICS) hinders the stable and effective training of PINNs by disrupting feature distributions and limiting model expressiveness. Unlike standard deep learning tasks, conventional remedies for ICS -- such as Batch Normalization and Layer Normalization -- are not directly applicable to PINNs, as they distort the physical consistency required for reliable PDE solutions. To address this issue, we propose Mask-PINNs, a novel architecture that introduces a learnable mask function to regulate feature distributions while preserving the underlying physical constraints of PINNs. We provide a theoretical analysis showing that the mask suppresses the expansion of feature representations through a carefully designed modulation mechanism. Empirically, we validate the method on multiple PDE benchmarks -- including convection, wave propagation, and Helmholtz equations -- across diverse activation functions. Our results show consistent improvements in prediction accuracy, convergence stability, and robustness. Furthermore, we demonstrate that Mask-PINNs enable the effective use of wider networks, overcoming a key limitation in existing PINN frameworks.
Authors: Jianxin Zhang, Lianzi Jiang, Xinyu Han, Xiangrong Wang
Abstract: Predicting the elevations of nonlinear wave fields behind floating breakwaters (FBs) is crucial for optimizing coastal engineering structures, enhancing safety, and improving design efficiency. Existing deep learning approaches exhibit limited generalization capability under unseen operating conditions. To address this challenge, this study proposes the Exogenous-to-Endogenous Frequency-Aware Network (E2E-FANet), a novel end-to-end neural network designed to model relationships between waves and structures. First, the Dual-Basis Frequency Mapping (DBFM) module leverages orthogonal cosine and sine bases to generate an adaptive time-frequency representation, enabling the model to effectively disentangle the evolving spectral components of wave signals. Second, the Exogenous-to-Endogenous Cross-Attention (E2ECA) module employs cross attention to explicitly model the unidirectional causal influence of floating breakwater motion on wave elevations. Additionally, a Temporal-wise Attention (TA) mechanism is incorporated that adaptively captures complex dependencies in endogenous variables. Extensive experiments, including generalization tests across diverse wave conditions and adaptability tests under varying relative water density (RW) conditions, demonstrate that E2E-FANet achieves superior predictive accuracy and robust generalization compared to mainstream models. This work emphasizes the importance of integrating causality and frequency-aware modeling in deep learning architectures for modeling nonlinear dynamics systems.
Authors: Sifeng Shang, Jiayi Zhou, Chenyu Lin, Minxian Li, Kaiyang Zhou
Abstract: As the size of large language models grows exponentially, GPU memory has become a bottleneck for adapting these models to downstream tasks. In this paper, we aim to push the limits of memory-efficient training by minimizing memory usage on model weights, gradients, and optimizer states, within a unified framework. Our idea is to eliminate both gradients and optimizer states using zeroth-order optimization, which approximates gradients by perturbing weights during forward passes to identify gradient directions. To minimize memory usage on weights, we employ model quantization, e.g., converting from bfloat16 to int4. However, directly applying zeroth-order optimization to quantized weights is infeasible due to the precision gap between discrete weights and continuous gradients, which would otherwise require de-quantization and re-quantization. To overcome this challenge, we propose Quantized Zeroth-order Optimization (QZO), a simple yet effective approach that perturbs the continuous quantization scale for gradient estimation and uses a directional derivative clipping method to stabilize training. QZO is orthogonal to both scalar-based and codebook-based post-training quantization methods. Compared to full-parameter fine-tuning in 16 bits, QZO can reduce the total memory cost by more than 18$\times$ for 4-bit LLMs, and enables fine-tuning Llama-2-13B within a single 24GB GPU. Code will be released publicly.
Authors: Mikhail Osipov
Abstract: We study the problem of reducing a task cost functional $W : H^s(M) \to \mathbb{R}$, not assumed continuous or differentiable, defined over Sobolev-class signals $S \in H^s(M) $, in the presence of a global symmetry group $G \subset \mathrm{Diff}(M)$. The group acts on signals by pullback, and the cost $W$ is invariant under this action. Such scenarios arise in machine learning and related optimization tasks, where performance metrics may be discontinuous or model-internal. We propose a variational method that exploits the symmetry structure to construct explicit deformations of the input signal. A deformation control field $ \phi: M \to \mathbb R^d$, obtained by minimizing an auxiliary energy functional, induces a flow that generically lies in the normal space (with respect to the $L^2$ inner product) to the $G$-orbit of $S$, and hence is a natural candidate to cross the decision boundary of the $G $-invariant cost. We analyze two variants of the coupling term: (1) purely geometric, independent of $W$, and (2) weakly coupled to $W$. Under mild conditions, we show that symmetry-breaking deformations of the signal can reduce the cost. Our approach requires no gradient backpropagation or training labels and operates entirely at test time. It provides a principled tool for optimizing discontinuous invariant cost functionals via Lie-algebraic variational flows.
Authors: Alessandro Favero, Antonio Sclocchi, Matthieu Wyart
Abstract: Diffusion probabilistic models have become a cornerstone of modern generative AI, yet the mechanisms underlying their generalization remain poorly understood. In fact, if these models were perfectly minimizing their training loss, they would just generate data belonging to their training set, i.e., memorize, as empirically found in the overparameterized regime. We revisit this view by showing that, in highly overparameterized diffusion models, generalization in natural data domains is progressively achieved during training before the onset of memorization. Our results, ranging from image to language diffusion models, systematically support the empirical law that memorization time is proportional to the dataset size. Generalization vs. memorization is then best understood as a competition between time scales. We show that this phenomenology is recovered in diffusion models learning a simple probabilistic context-free grammar with random rules, where generalization corresponds to the hierarchical acquisition of deeper grammar rules as training time grows, and the generalization cost of early stopping can be characterized. We summarize these results in a phase diagram. Overall, our results support that a principled early-stopping criterion - scaling with dataset size - can effectively optimize generalization while avoiding memorization, with direct implications for hyperparameter transfer and privacy-sensitive applications.
Authors: Takashi Ishida, Thanawat Lodkaew, Ikko Yamane
Abstract: Publishing a large language model (LLM) benchmark on the Internet risks contaminating future LLMs: the benchmark may be unintentionally (or intentionally) used to train or select a model. A common mitigation is to keep the benchmark private and let participants submit their models or predictions to the organizers. However, this strategy will require trust in a single organization and still permits test-set overfitting through repeated queries. To overcome this issue, we propose a way to publish benchmarks without completely disclosing the ground-truth answers to the questions, while still maintaining the ability to openly evaluate LLMs. Our main idea is to inject randomness to the answers by preparing several logically correct answers, and only include one of them as the solution in the benchmark. This reduces the best possible accuracy, i.e., Bayes accuracy, of the benchmark. Not only is this helpful to keep us from disclosing the ground truth, but this approach also offers a test for detecting data contamination. In principle, even fully capable models should not surpass the Bayes accuracy. If a model surpasses this ceiling despite this expectation, this is a strong signal of data contamination. We present experimental evidence that our method can detect data contamination accurately on a wide range of benchmarks, models, and training methodologies.
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: Xiaojie Xu, Xinli Xu, Sirui Chen, Haoyu Chen, Fan Zhang, Ying-Cong Chen
Abstract: Visual presentations are vital for effective communication. Early attempts to automate their creation using deep learning often faced issues such as poorly organized layouts, inaccurate text summarization, and a lack of image understanding, leading to mismatched visuals and text. These limitations restrict their application in formal contexts like business and scientific research. To address these challenges, we propose PreGenie, an agentic and modular framework powered by multimodal large language models (MLLMs) for generating high-quality visual presentations. PreGenie is built on the Slidev presentation framework, where slides are rendered from Markdown code. It operates in two stages: (1) Analysis and Initial Generation, which summarizes multimodal input and generates initial code, and (2) Review and Re-generation, which iteratively reviews intermediate code and rendered slides to produce final, high-quality presentations. Each stage leverages multiple MLLMs that collaborate and share information. Comprehensive experiments demonstrate that PreGenie excels in multimodal understanding, outperforming existing models in both aesthetics and content consistency, while aligning more closely with human design preferences.
Authors: Alexander Marusov, Aleksandr Yugay, Alexey Zaytsev
Abstract: Self-supervised learning (SSL) has emerged as a powerful approach to learning representations, particularly in the field of computer vision. However, its application to dependent data, such as temporal and spatio-temporal domains, remains underexplored. Besides, traditional contrastive SSL methods often assume \emph{semantic independence between samples}, which does not hold for dependent data exhibiting complex correlations. We propose a novel theoretical framework for contrastive SSL tailored to \emph{continuous dependent data}, which allows the nearest samples to be semantically close to each other. In particular, we propose two possible \textit{ground truth similarity measures} between objects -- \emph{hard} and \emph{soft} closeness. Under it, we derive an analytical form for the \textit{estimated similarity matrix} that accommodates both types of closeness between samples, thereby introducing dependency-aware loss functions. We validate our approach, \emph{Dependent TS2Vec}, on temporal and spatio-temporal downstream problems. Given the dependency patterns presented in the data, our approach surpasses modern ones for dependent data, highlighting the effectiveness of our theoretically grounded loss functions for SSL in capturing spatio-temporal dependencies. Specifically, we outperform TS2Vec on the standard UEA and UCR benchmarks, with accuracy improvements of $4.17$\% and $2.08$\%, respectively. Furthermore, on the drought classification task, which involves complex spatio-temporal patterns, our method achieves a $7$\% higher ROC-AUC score.
Authors: Binyao Guo, Zihan Lin, QiZhi He
Abstract: This study presents an end-to-end learning framework for data-driven modeling of path-dependent inelastic materials using neural operators. The framework is built on the premise that irreversible evolution of material responses, governed by hidden dynamics, can be inferred from observable data. We develop the History-Aware Neural Operator (HANO), an autoregressive model that predicts path-dependent material responses from short segments of recent strain-stress history without relying on hidden state variables, thereby overcoming self-consistency issues commonly encountered in recurrent neural network (RNN)-based models. Built on a Fourier-based neural operator backbone, HANO enables discretization-invariant learning. To enhance its ability to capture both global loading patterns and critical local path dependencies, we embed a hierarchical self-attention mechanism that facilitates multiscale feature extraction. Beyond ensuring self-consistency, HANO mitigates sensitivity to initial hidden states, a commonly overlooked issue that can lead to instability in recurrent models when applied to generalized loading paths. By modeling stress-strain evolution as a continuous operator rather than relying on fixed input-output mappings, HANO naturally accommodates varying path discretizations and exhibits robust performance under complex conditions, including irregular sampling, multi-cycle loading, noisy data, and pre-stressed states. We evaluate HANO on two benchmark problems: elastoplasticity with hardening and progressive anisotropic damage in brittle solids. Results show that HANO consistently outperforms baseline models in predictive accuracy, generalization, and robustness. With its demonstrated capabilities, HANO provides an effective data-driven surrogate for simulating inelastic materials and is well-suited for integration with classical numerical solvers.
Authors: Youjin Kong
Abstract: Fairness in machine learning (ML) has become a rapidly growing area of research. But why, in the first place, is unfairness in ML wrong? And why should we care about improving fairness? Most fair-ML research implicitly appeals to distributive equality: the idea that desirable benefits and goods, such as opportunities (e.g., Barocas et al., 2023), should be equally distributed across society. Unfair ML models, then, are seen as wrong because they unequally distribute such benefits. This paper argues that this exclusive focus on distributive equality offers an incomplete and potentially misleading ethical foundation. Grounding ML fairness in egalitarianism--the view that equality is a fundamental moral and social ideal--requires challenging structural inequality: systematic, institutional, and durable arrangements that privilege some groups while disadvantaging others. Structural inequality manifests through ML systems in two primary forms: allocative harms (e.g., economic loss) and representational harms (e.g., stereotypes, erasure). While distributive equality helps address allocative harms, it fails to explain why representational harms are wrong--why it is wrong for ML systems to reinforce social hierarchies that stratify people into superior and inferior groups--and why ML systems should aim to foster a society where people relate as equals (i.e., relational equality). To address these limitations, the paper proposes a multifaceted egalitarian framework for ML fairness that integrates both distributive and relational equality. Drawing on critical social and political philosophy, this framework offers a more comprehensive ethical foundation for tackling the full spectrum of harms perpetuated by ML systems. The paper also outlines practical pathways for implementing the framework across the entire ML pipeline.
Authors: Jiheng Liang, Ziru Yu, Zujie Xie, Yuchen Guo, Yulan Guo, Xiangyang Yu
Abstract: Motivated by the limitations of current spectral analysis methods-such as reliance on single-modality data, limited generalizability, and poor interpretability-we propose a novel multi-modal spectral analysis framework that integrates prior knowledge graphs with Large Language Models. Our method explicitly bridges physical spectral measurements and chemical structural semantics by representing them in a unified Textual Graph format, enabling flexible, interpretable, and generalizable spectral understanding. Raw spectra are first transformed into TAGs, where nodes and edges are enriched with textual attributes describing both spectral properties and chemical context. These are then merged with relevant prior knowledge-including functional groups and molecular graphs-to form a Task Graph that incorporates "Prompt Nodes" supporting LLM-based contextual reasoning. A Graph Neural Network further processes this structure to complete downstream tasks. This unified design enables seamless multi-modal integration and automated feature decoding with minimal manual annotation. Our framework achieves consistently high performance across multiple spectral analysis tasks, including node-level, edge-level, and graph-level classification. It demonstrates robust generalization in both zero-shot and few-shot settings, highlighting its effectiveness in learning from limited data and supporting in-context reasoning. This work establishes a scalable and interpretable foundation for LLM-driven spectral analysis, unifying physical and chemical modalities for scientific applications.
Authors: Hanshuo Wu, Xudong Jian, Christos Lataniotis, Cyprien Hoelzl, Eleni Chatzi, Yves Reuland
Abstract: Bridges, as critical components of civil infrastructure, are increasingly affected by deterioration, making reliable traffic monitoring essential for assessing their remaining service life. Among operational loads, traffic load plays a pivotal role, and recent advances in deep learning - particularly in computer vision (CV) - have enabled progress toward continuous, automated monitoring. However, CV-based approaches suffer from limitations, including privacy concerns and sensitivity to lighting conditions, while traditional non-vision-based methods often lack flexibility in deployment and validation. To bridge this gap, we propose a fully automated deep-learning pipeline for continuous traffic monitoring using structural health monitoring (SHM) sensor networks. Our approach integrates CV-assisted high-resolution dataset generation with supervised training and inference, leveraging graph neural networks (GNNs) to capture the spatial structure and interdependence of sensor data. By transferring knowledge from CV outputs to SHM sensors, the proposed framework enables sensor networks to achieve comparable accuracy of vision-based systems, with minimal human intervention. Applied to accelerometer and strain gauge data in a real-world case study, the model achieves state-of-the-art performance, with classification accuracies of 99% for light vehicles and 94% for heavy vehicles.
Authors: Efe \c{C}ak{\i}r, Patrick Dumond
Abstract: Bearing faults in rotating machinery can lead to significant operational disruptions and maintenance costs. Modern methods for bearing fault diagnosis rely heavily on vibration analysis and machine learning techniques, which often require extensive labeled data and may not adapt well to dynamic environments. This study explores the feasibility of reinforcement learning (RL), specifically Deep Q-Networks (DQNs), for bearing fault classification tasks in machine condition monitoring to enhance the accuracy and adaptability of bearing fault diagnosis. The results demonstrate that while RL models developed in this study can match the performance of traditional supervised learning models under controlled conditions, they excel in adaptability when equipped with optimized reward structures. However, their computational demands highlight areas for further improvement. These findings demonstrate RL's potential to complement traditional methods, paving the way for adaptive diagnostic frameworks.
Authors: Xingyu Su, Xiner Li, Masatoshi Uehara, Sunwoo Kim, Yulai Zhao, Gabriele Scalia, Ehsan Hajiramezanali, Tommaso Biancalani, Degui Zhi, Shuiwang Ji
Abstract: We address the problem of fine-tuning diffusion models for reward-guided generation in biomolecular design. While diffusion models have proven highly effective in modeling complex, high-dimensional data distributions, real-world applications often demand more than high-fidelity generation, requiring optimization with respect to potentially non-differentiable reward functions such as physics-based simulation or rewards based on scientific knowledge. Although RL methods have been explored to fine-tune diffusion models for such objectives, they often suffer from instability, low sample efficiency, and mode collapse due to their on-policy nature. In this work, we propose an iterative distillation-based fine-tuning framework that enables diffusion models to optimize for arbitrary reward functions. Our method casts the problem as policy distillation: it collects off-policy data during the roll-in phase, simulates reward-based soft-optimal policies during roll-out, and updates the model by minimizing the KL divergence between the simulated soft-optimal policy and the current model policy. Our off-policy formulation, combined with KL divergence minimization, enhances training stability and sample efficiency compared to existing RL-based methods. Empirical results demonstrate the effectiveness and superior reward optimization of our approach across diverse tasks in protein, small molecule, and regulatory DNA design.
Authors: Fran\c{c}ois Rozet, Ruben Ohana, Michael McCabe, Gilles Louppe, Fran\c{c}ois Lanusse, Shirley Ho
Abstract: The steep computational cost of diffusion models at inference hinders their use as fast physics emulators. In the context of image and video generation, this computational drawback has been addressed by generating in the latent space of an autoencoder instead of the pixel space. In this work, we investigate whether a similar strategy can be effectively applied to the emulation of dynamical systems and at what cost. We find that the accuracy of latent-space emulation is surprisingly robust to a wide range of compression rates (up to 1000x). We also show that diffusion-based emulators are consistently more accurate than non-generative counterparts and compensate for uncertainty in their predictions with greater diversity. Finally, we cover practical design choices, spanning from architectures to optimizers, that we found critical to train latent-space emulators.
Authors: Chi-Ken Lu, David Alonge, Nicole Richardson, Bruno Richard
Abstract: Cost models in healthcare research must balance interpretability, accuracy, and parameter consistency. However, interpretable models often struggle to achieve both accuracy and consistency. Ordinary least squares (OLS) models for high-dimensional regression can be accurate but fail to produce stable regression coefficients over time when using highly granular ICD-10 diagnostic codes as predictors. This instability arises because many ICD-10 codes are infrequent in healthcare datasets. While regularization methods such as Ridge can address this issue, they risk discarding important predictors. Here, we demonstrate that reducing the granularity of ICD-10 codes is an effective regularization strategy within OLS while preserving the representation of all diagnostic code categories. By truncating ICD-10 codes from seven characters to six or fewer, we reduce the dimensionality of the regression problem while maintaining model interpretability and consistency. Mathematically, the merging of predictors in OLS leads to increased trace of the Hessian matrix, which reduces the variance of coefficient estimation. Our findings explain why broader diagnostic groupings like DRGs and HCC codes are favored over highly granular ICD-10 codes in real-world risk adjustment and cost models.
Authors: Yifan Zhang
Abstract: Autoregressive language models achieve remarkable performance, yet a unified theory explaining their internal mechanisms--how training shapes their representations and enables complex behaviors--remains elusive. We introduce a new analytical framework that models the single-step generation process as a composition of information-processing stages using the language of Markov categories. This compositional perspective provides a unified mathematical language to connect three critical aspects of language modeling that are typically studied in isolation: the training objective, the geometry of the learned representation space, and practical model capabilities. First, our framework provides a precise information-theoretic rationale for the success of multi-token prediction methods like speculative decoding, quantifying the "information surplus" a model's hidden state contains about tokens beyond the immediate next one. Second, we clarify how the standard negative log-likelihood (NLL) objective compels the model to learn not just the next word, but also the data's intrinsic conditional uncertainty, a process we formalize using categorical entropy. Our central result reveals that NLL training functions as an implicit form of spectral contrastive learning. We prove that, for common model architectures, this simple predictive objective forces the model to sculpt a geometrically structured representation space, implicitly aligning representations with the eigenspectrum of a "predictive similarity" operator. This work offers a powerful new lens to understand how information flows through a model and how the training objective shapes its internal geometry, thereby bridging the gap between learning theory and the practical success of large language models.
Authors: Tony Shaska Sr
Abstract: We introduce the Graded Transformer framework, a new class of sequence models that embeds algebraic inductive biases through grading transformations on vector spaces. Extending Graded Neural Networks (GNNs), we propose two architectures: the Linearly Graded Transformer (LGT) and the Exponentially Graded Transformer (EGT). These models apply parameterized scaling operators, governed by fixed or learnable grading tuples and in the case of EGT exponential factors, to encode hierarchical structure in attention and representation layers and to improve efficiency for structured data. We establish rigorous guarantees, including universal approximation theorems for continuous and Sobolev functions, reduced sample complexity via effective VC dimension bounds, Lipschitz continuity of graded operations, and robustness to perturbations. A graded loss ensures gradient stability and alignment with domain priors during optimization. By treating grades as differentiable parameters, the framework enables adaptive feature prioritization, overcoming limitations of fixed grades in earlier models. The Graded Transformer provides a mathematically principled approach to hierarchical learning and neuro-symbolic reasoning. Applications include algebraic geometry (moduli spaces and zeta functions), physics (multiscale systems), natural language processing (syntactic parsing), biological sequence analysis (variant prediction), robotics and autonomous systems (safety-critical prioritization), the automotive industry (certifiable AI for ADAS), and blockchain and financial cryptography (secure coding and structured prediction).
Authors: Xin Chen, Shuaijun Chen, Omid Tavallaie, Nguyen Tran, Shuhuang Xiang, Albert Zomaya
Abstract: Federated Learning (FL) enables collaborative model training across decentralized data sources while preserving data privacy. However, the growing size of Machine Learning (ML) models poses communication and computation challenges in FL. Low-Rank Adaptation (LoRA) has recently been introduced into FL as an efficient fine-tuning method, reducing communication overhead by updating only a small number of trainable parameters. Despite its effectiveness, how to aggregate LoRA-updated local models on the server remains a critical and understudied problem. In this paper, we provide a unified convergence analysis for LoRA-based FL. We first categories the current aggregation method into two major type: Sum-Product (SP) and Product-Sum (PS). Then we formally define the Aggregation-Broadcast Operator (ABO) and derive both weak and strong convergence condition under mild assumptions. Furthermore, we present both weak and strong convergence condition that guarantee convergence of the local model and the global model respectively. These theoretical analyze offer a principled understanding of various aggregation strategies. Notably, we prove that the SP and PS aggregation methods satisfy the weak and strong convergence condition respectively, but differ in their ability to achieve the optimal convergence rate. Extensive experiments on standard benchmarks validate our theoretical findings.
Authors: Hongze Sun, Wuque Cai, Duo Chen, Shifeng Mao, Jiayi He, Zhenxing Wang, Dezhong Yao, Daqing Guo
Abstract: As a foundational architecture of artificial intelligence models, Transformer has been recently adapted to spiking neural networks with promising performance across various tasks. However, existing spiking Transformer (ST)-based models require a substantial number of parameters and incur high computational costs, thus limiting their deployment in resource-constrained environments. To address these challenges, we propose combining synapse pruning with a synergistic learning-based compensation strategy to derive lightweight ST-based models. Specifically, two types of tailored pruning strategies are introduced to reduce redundancy in the weight matrices of ST blocks: an unstructured $\mathrm{L_{1}P}$ method to induce sparse representations, and a structured DSP method to induce low-rank representations. In addition, we propose an enhanced spiking neuron model, termed the synergistic leaky integrate-and-fire (sLIF) neuron, to effectively compensate for model pruning through synergistic learning between synaptic and intrinsic plasticity mechanisms. Extensive experiments on benchmark datasets demonstrate that the proposed methods significantly reduce model size and computational overhead while maintaining competitive performance. These results validate the effectiveness of the proposed pruning and compensation strategies in constructing efficient and high-performing ST-based models.
Authors: Yao Lai, Souradip Poddar, Sungyoung Lee, Guojin Chen, Mengkang Hu, Bei Yu, Ping Luo, David Z. Pan
Abstract: Despite recent advances, analog front-end design still relies heavily on expert intuition and iterative simulations, which limits the potential for automation. We present AnalogCoder-Pro, a multimodal large language model (LLM) framework that integrates generative and optimization techniques. The framework features a multimodal diagnosis-and-repair feedback loop that uses simulation error messages and waveform images to autonomously correct design errors. It also builds a reusable circuit tool library by archiving successful designs as modular subcircuits, accelerating the development of complex systems. Furthermore, it enables end-to-end automation by generating circuit topologies from target specifications, extracting key parameters, and applying Bayesian optimization for device sizing. On a curated benchmark suite covering 13 circuit types, AnalogCoder-Pro successfully designed 28 circuits and consistently outperformed existing LLM-based methods in figures of merit.
Authors: Mingliang Bai, Zuliang Fang, Shengyu Tao, Siqi Xiang, Jiang Bian, Yanfei Xiang, Pengcheng Zhao, Weixin Jin, Jonathan A. Weyn, Haiyu Dong, Bin Zhang, Hongyu Sun, Kit Thambiratnam, Qi Zhang, Hongbin Sun, Xuan Zhang, Qiuwei Wu
Abstract: Accurate 24-hour solar irradiance forecasting is essential for the safe and economic operation of solar photovoltaic systems. Traditional numerical weather prediction (NWP) models represent the state-of-the-art in forecasting performance but rely on computationally costly data assimilation and solving complicated partial differential equations (PDEs) that simulate atmospheric physics. Here, we introduce SolarSeer, an end-to-end large artificial intelligence (AI) model for solar irradiance forecasting across the Contiguous United States (CONUS). SolarSeer is designed to directly map the historical satellite observations to future forecasts, eliminating the computational overhead of data assimilation and PDEs solving. This efficiency allows SolarSeer to operate over 1,500 times faster than traditional NWP, generating 24-hour cloud cover and solar irradiance forecasts for the CONUS at 5-kilometer resolution in under 3 seconds. Compared with the state-of-the-art NWP in the CONUS, i.e., High-Resolution Rapid Refresh (HRRR), SolarSeer significantly reduces the root mean squared error of solar irradiance forecasting by 27.28% in reanalysis data and 15.35% across 1,800 stations. SolarSeer also effectively captures solar irradiance fluctuations and significantly enhances the first-order irradiance difference forecasting accuracy. SolarSeer's ultrafast, accurate 24-hour solar irradiance forecasts provide strong support for the transition to sustainable, net-zero energy systems.
Authors: Claudiu Leoveanu-Condrei
Abstract: Generative models, particularly Large Language Models (LLMs), produce fluent outputs yet lack verifiable guarantees. We adapt Design by Contract (DbC) and type-theoretic principles to introduce a contract layer that mediates every LLM call. Contracts stipulate semantic and type requirements on inputs and outputs, coupled with probabilistic remediation to steer generation toward compliance. The layer exposes the dual view of LLMs as semantic parsers and probabilistic black-box components. Contract satisfaction is probabilistic and semantic validation is operationally defined through programmer-specified conditions on well-typed data structures. More broadly, this work postulates that any two agents satisfying the same contracts are \emph{functionally equivalent} with respect to those contracts.
Authors: Hugo Negrel, Florentin Coeurdoux, Michael S. Albergo, Eric Vanden-Eijnden
Abstract: We propose a framework for learning maps between probability distributions that broadly generalizes the time dynamics of flow and diffusion models. To enable this, we generalize stochastic interpolants by replacing the scalar time variable with vectors, matrices, or linear operators, allowing us to bridge probability distributions across multiple dimensional spaces. This approach enables the construction of versatile generative models capable of fulfilling multiple tasks without task-specific training. Our operator-based interpolants not only provide a unifying theoretical perspective for existing generative models but also extend their capabilities. Through numerical experiments, we demonstrate the zero-shot efficacy of our method on conditional generation and inpainting, fine-tuning and posterior sampling, and multiscale modeling, suggesting its potential as a generic task-agnostic alternative to specialized models.
Authors: Zhehan Qu, Tianyi Hu, Christian Fronk, Maria Gorlatova
Abstract: Augmented Reality (AR) systems, while enhancing task performance through real-time guidance, pose risks of inducing cognitive tunneling-a hyperfocus on virtual content that compromises situational awareness (SA) in safety-critical scenarios. This paper investigates SA in AR-guided cardiopulmonary resuscitation (CPR), where responders must balance effective compressions with vigilance to unpredictable hazards (e.g., patient vomiting). We developed an AR app on a Magic Leap 2 that overlays real-time CPR feedback (compression depth and rate) and conducted a user study with simulated unexpected incidents (e.g., bleeding) to evaluate SA, in which SA metrics were collected via observation and questionnaires administered during freeze-probe events. Eye tracking analysis revealed that higher SA levels were associated with greater saccadic amplitude and velocity, and with reduced proportion and frequency of fixations on virtual content. To predict SA, we propose FixGraphPool, a graph neural network that structures gaze events (fixations, saccades) into spatiotemporal graphs, effectively capturing dynamic attentional patterns. Our model achieved 83.0% accuracy (F1=81.0%), outperforming feature-based machine learning and state-of-the-art time-series models by leveraging domain knowledge and spatial-temporal information encoded in ET data. These findings demonstrate the potential of eye tracking for SA modeling in AR and highlight its utility in designing AR systems that ensure user safety and situational awareness.
Authors: Lishi Zuo, Man-Wai Mak, Lu Yi, Youzhi Tu
Abstract: Medical diagnosis might fail due to bias. In this work, we identified class-feature bias, which refers to models' potential reliance on features that are strongly correlated with only a subset of classes, leading to biased performance and poor generalization on other classes. We aim to train a class-unbiased model (Cls-unbias) that mitigates both class imbalance and class-feature bias simultaneously. Specifically, we propose a class-wise inequality loss which promotes equal contributions of classification loss from positive-class and negative-class samples. We propose to optimize a class-wise group distributionally robust optimization objective-a class-weighted training objective that upweights underperforming classes-to enhance the effectiveness of the inequality loss under class imbalance. Through synthetic and real-world datasets, we empirically demonstrate that class-feature bias can negatively impact model performance. Our proposed method effectively mitigates both class-feature bias and class imbalance, thereby improving the model's generalization ability.
Authors: Md. Wasiul Haque, Sagar Dasgupta, Mizanur Rahman
Abstract: Reliable indoor navigation remains a significant challenge in complex environments, particularly where external positioning signals and dedicated infrastructures are unavailable. This research presents Grid2Guide, a hybrid navigation framework that combines the A* search algorithm with a Small Language Model (SLM) to generate clear, human-readable route instructions. The framework first conducts a binary occupancy matrix from a given indoor map. Using this matrix, the A* algorithm computes the optimal path between origin and destination, producing concise textual navigation steps. These steps are then transformed into natural language instructions by the SLM, enhancing interpretability for end users. Experimental evaluations across various indoor scenarios demonstrate the method's effectiveness in producing accurate and timely navigation guidance. The results validate the proposed approach as a lightweight, infrastructure-free solution for real-time indoor navigation support.
Authors: Dahai Yu, Dingyi Zhuang, Lin Jiang, Rongchao Xu, Xinyue Ye, Yuheng Bu, Shenhao Wang, Guang Wang
Abstract: Spatiotemporal prediction plays a critical role in numerous real-world applications such as urban planning, transportation optimization, disaster response, and pandemic control. In recent years, researchers have made significant progress by developing advanced deep learning models for spatiotemporal prediction. However, most existing models are deterministic, i.e., predicting only the expected mean values without quantifying uncertainty, leading to potentially unreliable and inaccurate outcomes. While recent studies have introduced probabilistic models to quantify uncertainty, they typically focus on a single phenomenon (e.g., taxi, bike, crime, or traffic crashes), thereby neglecting the inherent correlations among heterogeneous urban phenomena. To address the research gap, we propose a novel Graph Neural Network with Uncertainty Quantification, termed UQGNN for multivariate spatiotemporal prediction. UQGNN introduces two key innovations: (i) an Interaction-aware Spatiotemporal Embedding Module that integrates a multivariate diffusion graph convolutional network and an interaction-aware temporal convolutional network to effectively capture complex spatial and temporal interaction patterns, and (ii) a multivariate probabilistic prediction module designed to estimate both expected mean values and associated uncertainties. Extensive experiments on four real-world multivariate spatiotemporal datasets from Shenzhen, New York City, and Chicago demonstrate that UQGNN consistently outperforms state-of-the-art baselines in both prediction accuracy and uncertainty quantification. For example, on the Shenzhen dataset, UQGNN achieves a 5% improvement in both prediction accuracy and uncertainty quantification.
Authors: Adolfo Gonz\'alez, V\'ictor Parada
Abstract: Inventory management in dynamic and competitive business environments presents multidimensional challenges, particularly in the face of demand uncertainty and logistical and financial constraints. In this context, accurate demand forecasting is critical for optimizing resources and anticipating market fluctuations. However, the isolated use of traditional metrics such as Mean Absolute Error (MAE) or Root Mean Squared Error (RMSE) can lead to biased evaluations and limit model robustness. To address this limitation, we propose the Hierarchical Evaluation Function (HEF), a composite function that integrates R2, MAE, and RMSE under a hierarchical and dynamic framework, complemented by adaptive penalties. The study implements HEF in the optimization of multiple prediction models, applying Grid Search, Particle Swarm Optimization (PSO), and Optuna, and evaluating their performance on reference databases (Walmart, M3, M4, and M5). The results, validated using statistical tests, confirm that HEF consistently outperforms the MAE used as the evaluation function in global metrics such as R2, Global Relative Precision, RMSE, and RMSSE, improving explanatory power and stability against extreme errors. In contrast, the MAE retains advantages in simplicity and computational efficiency. In summary, HEF constitutes a robust and adaptive alternative for highly variable environments, providing a solid framework for model selection and hyperparameter optimization.
Authors: Suhang Hu, Wei Hu, Yuhang Su, Fan Zhang
Abstract: Vision-Language Models (VLMs) struggle with complex image annotation tasks, such as emotion classification and context-driven object detection, which demand sophisticated reasoning. Standard Supervised Fine-Tuning (SFT) focuses solely on annotation outcomes, ignoring underlying rationales, while Visual Reinforcement Fine-Tuning (Visual-RFT) produces inconsistent Chains of Thought (CoTs) due to the absence of high-quality, verified CoTs during pre-training. We introduce RISE (Reason-Inspire-Strengthen-Expertise), a two-stage framework to overcome these limitations. In the Reason stage (RISE-CoT), a reinforcement learning-driven "annotation-reasoning-annotation" closed-loop generates visually grounded, logically consistent CoTs by verifying their ability to reconstruct original annotations without direct leakage. The Inspire and Strengthen stage (RISE-R1) leverages a high-quality CoT subset, filtered by RISE-CoT rewards, for supervised fine-tuning, followed by reinforcement fine-tuning to produce interpretable reasoning and accurate annotations, achieving Expertise in complex visual tasks. Evaluated on complex and simple image annotation tasks, RISE-trained Qwen2-VL-2B outperforms SFT and Visual-RFT, achieving robust performance and enhanced explainability. RISE offers a self-supervised solution for advancing VLM reasoning without requiring manually annotated CoTs.
Authors: Jos\'e Eduardo Zerna Torres, Marios Avgeris, Chrysa Papagianni, Gergely Pongr\'acz, Istv\'an G\'odor, Paola Grosso
Abstract: This work presents a proof-of-concept implementation of a distributed, in-network reinforcement learning (IN-RL) framework for adaptive path selection in programmable networks. By combining Stochastic Learning Automata (SLA) with real-time telemetry data collected via In-Band Network Telemetry (INT), the proposed system enables local, data-driven forwarding decisions that adapt dynamically to congestion conditions. The system is evaluated on a Mininet-based testbed using P4-programmable BMv2 switches, demonstrating how our SLA-based mechanism converges to effective path selections and adapts to shifting network conditions at line rate.
Authors: Hanseul Kang, Ville Vuorinen, Shervin Karimkashi
Abstract: This work designs a scalable, parameter-aware sparse regression framework for discovering interpretable partial differential equations and subgrid-scale closures from multi-parameter simulation data. Building on SINDy (Sparse Identification of Nonlinear Dynamics), the approach addresses key limitations through four enhancements. First, symbolic parameterisation enables physical parameters to vary within unified regression. Second, the Dimensional Similarity Filter enforces unit consistency while reducing candidate libraries. Third, memory-efficient Gram-matrix accumulation enables batch processing of large datasets. Fourth, ensemble consensus with coefficient stability analysis ensures robust model identification. Validation on canonical one-dimensional benchmarks demonstrates consistent discovery of governing equations across parameter ranges. Applied to filtered Burgers datasets, the framework autonomously discovers the SGS closure $\tau_{\mathrm{SGS}} = 0.1604\cdot\Delta^2\left(\frac{\partial \bar{u}}{\partial x}\right)^2$ with the SINDy-discovered Smagorinsky constant $C_s^{\text{SINDy}} \approx 0.4005$ without predefined closure assumptions, recovering Smagorinsky-type structure directly from data. The discovered model achieves $R^2 = 0.885$ across filter scales and demonstrates improved prediction accuracy compared to classical SGS closures. The ability of the framework to identify physically meaningful SGS forms and calibrate coefficients offers a complementary approach to existing turbulence modelling methods, contributing to the broader field of data-driven turbulence closure discovery.
Authors: Jia Hong Puah, Sim Kuan Goh, Ziwei Zhang, Zixuan Ye, Chow Khuen Chan, Kheng Seang Lim, Si Lei Fong, Kok Sin Woon, Cuntai Guan
Abstract: While electroencephalogram (EEG) has been a crucial tool for monitoring the brain and diagnosing neurological disorders (e.g., epilepsy), learning meaningful representations from raw EEG signals remains challenging due to limited annotations and high signal variability. Recently, EEG foundation models (FMs) have shown promising potential by adopting transformer architectures and self-supervised pre-training methods from large language models (e.g., masked prediction) to learn representations from diverse EEG data, followed by fine-tuning on specific EEG tasks. Nonetheless, these large models often incurred high computational costs during both training and inference, with only marginal performance improvements as the model size increases. In this work, we proposed an EEG representation learning framework building upon Generative Diffusion Model (EEGDM). Specifically, we developed a structured state-space model for diffusion pretraining (SSMDP) to better capture the temporal dynamics of EEG signals and trained it using Denoising Diffusion Probabilistic Model (DDPM) framework. Subsequently, the resulting latent EEG representations were then used for downstream classification tasks via our proposed latent fusion transformer (LFT). To evaluate our method, we used multi-event datasets covering both interictal epileptiform discharges (TUEV) and seizure (CHB-MIT) detection, and compared EEGDM with current state-of-the-art approaches, including EEG FMs. Empirical results showed that our method outperformed the existing methods. These findings suggested that EEGDM offered a promising alternative to current FMs. Our source code and checkpoint are available at: https://github.com/jhpuah/EEGDM.
Authors: Zixi Chen, Yinyu Ye, Zijie Zhou
Abstract: We study the problem of optimizing Large Language Model (LLM) inference scheduling to minimize total latency. LLM inference is an online and multi-task service process and also heavily energy consuming by which a pre-trained LLM processes input requests and generates output tokens sequentially. Therefore, it is vital to improve its scheduling efficiency and reduce the power consumption while a great amount of prompt requests are arriving. A key challenge in LLM inference scheduling is that while the prompt length is known upon arrival, the output length, which critically impacts memory usage and processing time, is unknown. To address this uncertainty, we propose algorithms that leverage machine learning to predict output lengths, assuming the prediction provides an interval classification (min-max range) for each request. We first design a conservative algorithm, $\mathcal{A}_{\max}$, which schedules requests based on the upper bound of predicted output lengths to prevent memory overflow. However, this approach is overly conservative: as prediction accuracy decreases, performance degrades significantly due to potential overestimation. To overcome this limitation, we propose $\mathcal{A}_{\min}$, an adaptive algorithm that initially treats the predicted lower bound as the output length and dynamically refines this estimate during inferencing. We prove that $\mathcal{A}_{\min}$ achieves a log-scale competitive ratio. Through numerical simulations, we demonstrate that $\mathcal{A}_{\min}$ often performs nearly as well as the hindsight scheduler, highlighting both its efficiency and robustness in practical scenarios. Moreover, $\mathcal{A}_{\min}$ relies solely on the lower bound of the prediction interval--an advantageous design choice since upper bounds on output length are typically more challenging to predict accurately.
Authors: Pixi Kang, Julian Moosmann, Mengxi Liu, Bo Zhou, Michele Magno, Paul Lukowicz, Sizhen Bian
Abstract: Human Activity Recognition (HAR) with wearable devices requires both strong generalization across diverse users and efficient personalization for individuals. However, conventional HAR models often fail to generalize when faced with user-specific variations, leading to degraded performance. To address this challenge, we propose a novel on-device few-shot learning framework that bridges generalization and personalization in wearable HAR. Our method first trains a generalizable representation across users and then rapidly adapts to new users with only a few labeled samples, updating lightweight classifier layers directly on resource-constrained devices. This approach achieves robust on-device learning with minimal computation and memory cost, making it practical for real-world deployment. We implement our framework on the energy-efficient RISC-V GAP9 microcontroller and evaluate it on three benchmark datasets (RecGym, QVAR-Gesture, Ultrasound-Gesture). Across these scenarios, post-deployment adaptation improves accuracy by 3.73%, 17.38%, and 3.70%, respectively. These results demonstrate that few-shot on-device learning enables scalable, user-aware, and energy-efficient wearable human activity recognition by seamlessly uniting generalization and personalization \footnote{https://github.com/kangpx/onlineTiny2023}.
Authors: Mohsen Sheibanian, Pouya Shaeri, Alimohammad Beigi, Ryan T. Woo, Aryan Keluskar
Abstract: Deep neural networks are increasingly bottlenecked by the cost of optimization, both in terms of GPU memory and compute time. Existing acceleration techniques, such as mixed precision, second-order methods, and batch size scaling, are typically used in isolation. We present Tri-Accel, a unified optimization framework that co-adapts three acceleration strategies along with adaptive parameters during training: (1) Precision-Adaptive Updates that dynamically assign mixed-precision levels to layers based on curvature and gradient variance; (2) Sparse Second-Order Signals that exploit Hessian/Fisher sparsity patterns to guide precision and step size decisions; and (3) Memory-Elastic Batch Scaling that adjusts batch size in real time according to VRAM availability. On CIFAR-10 with ResNet-18 and EfficientNet-B0, Tri-Accel achieves up to 9.9% reduction in training time and 13.3% lower memory usage, while improving accuracy by +1.1 percentage points over FP32 baselines. Tested on CIFAR-10/100, our approach demonstrates adaptive learning behavior, with efficiency gradually improving over the course of training as the system learns to allocate resources more effectively. Compared to static mixed-precision training, Tri-Accel maintains 78.1% accuracy while reducing memory footprint from 0.35GB to 0.31GB on standard hardware. The framework is implemented with custom Triton kernels, whose hardware-aware adaptation enables automatic optimization without manual hyperparameter tuning, making it practical for deployment across diverse computational environments. This work demonstrates how algorithmic adaptivity and hardware awareness can be combined to improve scalability in resource-constrained settings, paving the way for more efficient neural network training on edge devices and cost-sensitive cloud deployments.
Authors: Yajat Yadav, Patrick Mendoza, Jathin Korrapati
Abstract: Orthogonal Gradient Descent (OGD) has emerged as a powerful method for continual learning. However, its Euclidean projections do not leverage the underlying information-geometric structure of the problem, which can lead to suboptimal convergence in learning tasks. To address this, we propose incorporating the natural gradient into OGD and present \textbf{ONG (Orthogonal Natural Gradient Descent)}. ONG preconditions each new task-specific gradient with an efficient EKFAC approximation of the inverse Fisher information matrix, yielding updates that follow the steepest descent direction under a Riemannian metric. To preserve performance on previously learned tasks, ONG projects these natural gradients onto the orthogonal complement of prior tasks' gradients. We provide an initial theoretical justification for this procedure, introduce the Orthogonal Natural Gradient Descent (ONG) algorithm, and present preliminary results on the Permuted and Rotated MNIST benchmarks. Our preliminary results, however, indicate that a naive combination of natural gradients and orthogonal projections can have potential issues. This finding motivates continued future work focused on robustly reconciling these geometric perspectives to develop a continual learning method, establishing a more rigorous theoretical foundation with formal convergence guarantees, and extending empirical validation to large-scale continual learning benchmarks. The anonymized version of our code can be found as the zip file here: https://drive.google.com/drive/folders/11PyU6M8pNgOUB5pwdGORtbnMtD8Shiw_?usp=sharing.
URLs: https://drive.google.com/drive/folders/11PyU6M8pNgOUB5pwdGORtbnMtD8Shiw_?usp=sharing.
Authors: Hikaru Tsujimura, Arush Tagade
Abstract: Large Language Models (LLMs) often display overconfidence, presenting information with unwarranted certainty in high-stakes contexts. We investigate the internal basis of this behavior via mechanistic interpretability. Using open-sourced Llama 3.2 models fine-tuned on human annotated assertiveness datasets, we extract residual activations across all layers, and compute similarity metrics to localize assertive representations. Our analysis identifies layers most sensitive to assertiveness contrasts and reveals that high-assertive representations decompose into two orthogonal sub-components of emotional and logical clusters-paralleling the dual-route Elaboration Likelihood Model in Psychology. Steering vectors derived from these sub-components show distinct causal effects: emotional vectors broadly influence prediction accuracy, while logical vectors exert more localized effects. These findings provide mechanistic evidence for the multi-component structure of LLM assertiveness and highlight avenues for mitigating overconfident behavior.
Authors: Yinsong Wang, Quan Zeng, Xiao Liu, Yu Ding
Abstract: Recent breakthroughs in autonomous experimentation have demonstrated remarkable physical capabilities, yet their cognitive control remains limited--often relying on static heuristics or classical optimization. A core limitation is the absence of a principled mechanism to detect and adapt to the unexpectedness. While traditional surprise measures--such as Shannon or Bayesian Surprise--offer momentary detection of deviation, they fail to capture whether a system is truly learning and adapting. In this work, we introduce Mutual Information Surprise (MIS), a new framework that redefines surprise not as anomaly detection, but as a signal of epistemic growth. MIS quantifies the impact of new observations on mutual information, enabling autonomous systems to reflect on their learning progression. We develop a statistical test sequence to detect meaningful shifts in estimated mutual information and propose a mutual information surprise reaction policy (MISRP) that dynamically governs system behavior through sampling adjustment and process forking. Empirical evaluations--on both synthetic domains and a dynamic pollution map estimation task--show that MISRP-governed strategies significantly outperform classical surprise-based approaches in stability, responsiveness, and predictive accuracy. By shifting surprise from reactive to reflective, MIS offers a path toward more self-aware and adaptive autonomous systems.
Authors: Jarek Duda, Jagoda Bracha, Adrian Przybysz
Abstract: Evaluation of statistical dependencies between two data samples is a basic problem of data science/machine learning, and HSIC (Hilbert-Schmidt Information Criterion)~\cite{HSIC} is considered the state-of-art method. However, for size $n$ data sample it requires multiplication of $n\times n$ matrices, what currently needs $\sim O(n^{2.37})$ computational complexity~\cite{mult}, making it impractical for large data samples. We discuss HCR (Hierarchical Correlation Reconstruction) as its linear cost practical alternative, in tests of even higher sensitivity to dependencies, and additionally providing actual joint distribution model for chosen significance level, by description of dependencies through features being mixed moments, starting with correlation and homoscedasticity. Also allowing to approximate mutual information as just sum of squares of such nontrivial mixed moments between two data samples. Such single dependence describing feature is calculated in $O(n)$ linear time. Their number to test varies with dimension $d$ - requiring $O(d^2)$ for pairwise dependencies, $O(d^3)$ if wanting to also consider more subtle triplewise, and so on.
Authors: Mohammadreza Ghaffarzadeh-Esfahani, Ali Motahharynia, Nahid Yousefian, Navid Mazrouei, Jafar Ghaisari, Yousof Gheisari
Abstract: Drug discovery is a complex and resource-intensive process, making early prediction of approval outcomes critical for optimizing research investments. While classical machine learning and deep learning methods have shown promise in drug approval prediction, their limited interpretability constraints their impact. Here, we present DrugReasoner, a reasoning-based large language model (LLM) built on the LLaMA architecture and fine-tuned with group relative policy optimization (GRPO) to predict the likelihood of small-molecule approval. DrugReasoner integrates molecular descriptors with comparative reasoning against structurally similar approved and unapproved compounds, generating predictions alongside step-by-step rationales and confidence scores. DrugReasoner achieved robust performance with an AUC of 0.732 and an F1 score of 0.729 on the validation set and 0.725 and 0.718 on the test set, respectively. These results outperformed conventional baselines, including logistic regression, support vector machine, and k-nearest neighbors and had competitive performance relative to XGBoost. On an external independent dataset, DrugReasoner outperformed both baseline and the recently developed ChemAP model, achieving an AUC of 0.728 and an F1-score of 0.774, while maintaining high precision and balanced sensitivity, demonstrating robustness in real-world scenarios. These findings demonstrate that DrugReasoner not only delivers competitive predictive accuracy but also enhances transparency through its reasoning outputs, thereby addressing a key bottleneck in AI-assisted drug discovery. This study highlights the potential of reasoning-augmented LLMs as interpretable and effective tools for pharmaceutical decision-making.
Authors: Hejiang Cai, Di Wu, Ji Xu, Xiang Liu, Yiziting Zhu, Xin Shu, Yujie Li, Bin Yi
Abstract: Sepsis is a life threatening condition that requires timely detection in intensive care settings. Traditional machine learning approaches, including Naive Bayes, Support Vector Machine (SVM), Random Forest, and XGBoost, often rely on manual feature engineering and struggle with irregular, incomplete time-series data commonly present in electronic health records. We introduce an end-to-end deep learning framework integrating an unsupervised autoencoder for automatic feature extraction with a multilayer perceptron classifier for binary sepsis risk prediction. To enhance clinical applicability, we implement a customized down sampling strategy that extracts high information density segments during training and a non-overlapping dynamic sliding window mechanism for real-time inference. Preprocessed time series data are represented as fixed dimension vectors with explicit missingness indicators, mitigating bias and noise. We validate our approach on three ICU cohorts. Our end-to-end model achieves accuracies of 74.6 percent, 80.6 percent, and 93.5 percent, respectively, consistently outperforming traditional machine learning baselines. These results demonstrate the framework's superior robustness, generalizability, and clinical utility for early sepsis detection across heterogeneous ICU environments.
Authors: Zohair Shafi, Serdar Kadioglu
Abstract: Combinatorial optimization problems are ubiquitous in science and engineering, yet learning-based approaches to accelerate their solution often require solving a large number of hard-to-solve optimization instances to collect training data, incurring significant computational overhead. Existing methods require training dedicated models for each problem distribution for each downstream task, severely limiting their scalability and generalization. In this work, we introduce Forge, a method of pre-training a vector-quantized graph autoencoder on a large and diverse collection of mixed-integer programming (MIP) instances in an unsupervised fashion without dependency on their solution. The vector quantization process creates discrete code assignments that act as a vocabulary to represent optimization instances. We evaluate our approach under both supervised and unsupervised settings. For the unsupervised setting, we demonstrate that Forge embeddings effectively differentiate and cluster unseen instances. For the supervised setting, we fine-tuneForge embeddings and show that a single model predicts both the variables for warm-starts and integrality gaps for cut-generation across multiple problem type distributions. Both predictions help improve performance of a state-of-the-art, commercial optimization solver. Finally, we release our code and pre-trained Forge weights to encourage further research and practical use of instance-level MIP embeddings at https://github.com/skadio/forge/.
Authors: Haoze Wu, Cheng Wang, Wenshuo Zhao, Junxian He
Abstract: Recent advances in applying reinforcement learning (RL) to large language models (LLMs) have led to substantial progress. In particular, a series of remarkable yet often counterintuitive phenomena have been reported in LLMs, exhibiting patterns not typically observed in traditional RL settings. For example, notable claims include that a single training example can match the performance achieved with an entire dataset, that the reward signal does not need to be very accurate, and that training solely with negative samples can match or even surpass sophisticated reward-based methods. However, the precise conditions under which these observations hold - and, critically, when they fail - remain unclear. In this work, we identify a key factor that differentiates RL observations: whether the pretrained model already exhibits strong Model-Task Alignment, as measured by pass@k accuracy on the evaluated task. Through a systematic and comprehensive examination of a series of counterintuitive claims, supported by rigorous experimental validation across different model architectures and task domains, our findings show that while standard RL training remains consistently robust across settings, many of these counterintuitive results arise only when the model and task already exhibit strong model-task alignment. In contrast, these techniques fail to drive substantial learning in more challenging regimes, where standard RL methods remain effective.
Authors: Wei Yao, Shen Chen, Jiamin Cui, Yaolin Lou
Abstract: Speaker verification aims to verify whether an input speech corresponds to the claimed speaker, and conventionally, this kind of system is deployed based on single-stream scenario, wherein the feature extractor operates in full frequency range. In this paper, we hypothesize that machine can learn enough knowledge to do classification task when listening to partial frequency range instead of full frequency range, which is so called frequency selection technique, and further propose a novel framework of multi-stream Convolutional Neural Network (CNN) with this technique for speaker verification tasks. The proposed framework accommodates diverse temporal embeddings generated from multiple streams to enhance the robustness of acoustic modeling. For the diversity of temporal embeddings, we consider feature augmentation with frequency selection, which is to manually segment the full-band of frequency into several sub-bands, and the feature extractor of each stream can select which sub-bands to use as target frequency domain. Different from conventional single-stream solution wherein each utterance would only be processed for one time, in this framework, there are multiple streams processing it in parallel. The input utterance for each stream is pre-processed by a frequency selector within specified frequency range, and post-processed by mean normalization. The normalized temporal embeddings of each stream will flow into a pooling layer to generate fused embeddings. We conduct extensive experiments on VoxCeleb dataset, and the experimental results demonstrate that multi-stream CNN significantly outperforms single-stream baseline with 20.53 % of relative improvement in minimum Decision Cost Function (minDCF).
Authors: Deniz Koyuncu, Alex Gittens, B\"ulent Yener
Abstract: One limitation of the most statistical/machine learning-based variable selection approaches is their inability to control the false selections. A recently introduced framework, model-x knockoffs, provides that to a wide range of models but lacks support for datasets with missing values. In this work, we discuss ways of preserving the theoretical guarantees of the model-x framework in the missing data setting. First, we prove that posterior sampled imputation allows reusing existing knockoff samplers in the presence of missing values. Second, we show that sampling knockoffs only for the observed variables and applying univariate imputation also preserves the false selection guarantees. Third, for the special case of latent variable models, we demonstrate how jointly imputing and sampling knockoffs can reduce the computational complexity. We have verified the theoretical findings with two different exploratory variable distributions and investigated how the missing data pattern, amount of correlation, the number of observations, and missing values affected the statistical power.
Authors: Zaid Harchaoui, Sewoong Oh, Soumik Pal, Raghav Somani, Raghavendra Tripathi
Abstract: We consider stochastic gradient descents on the space of large symmetric matrices of suitable functions that are invariant under permuting the rows and columns using the same permutation. We establish deterministic limits of these random curves as the dimensions of the matrices go to infinity while the entries remain bounded. Under a ``small noise'' assumption the limit is shown to be the gradient flow of functions on graphons whose existence was established in Oh, Somani, Pal, and Tripathi, \texit{J Theor Probab 37, 1469--1522 (2024)}. We also consider limits of stochastic gradient descents with added properly scaled reflected Brownian noise. The limiting curve of graphons is characterized by a family of stochastic differential equations with reflections and can be thought of as an extension of the classical McKean-Vlasov limit for interacting diffusions to the graphon setting. The proofs introduce a family of infinite-dimensional exchangeable arrays of reflected diffusions and a novel notion of propagation of chaos for large matrices of diffusions converging to such arrays in a suitable sense.
Authors: Guang Yang, Tiancheng Jin, Liang Dou
Abstract: Code classification is a difficult issue in program understanding and automatic coding. Due to the elusive syntax and complicated semantics in programs, most existing studies use techniques based on abstract syntax tree (AST) and graph neural networks (GNN) to create code representations for code classification. These techniques utilize the structure and semantic information of the code, but they only take into account pairwise associations and neglect the high-order data correlations that already exist between nodes of the same field or called attribute in the AST, which may result in the loss of code structural information. On the other hand, while a general hypergraph can encode high-order data correlations, it is homogeneous and undirected which will result in a lack of semantic and structural information such as node types, edge types, and directions between child nodes and parent nodes when modeling AST. In this study, we propose a heterogeneous directed hypergraph (HDHG) to represent AST and a heterogeneous directed hypergraph neural network (HDHGN) to process the graph for code classification. Our method improves code understanding and can represent high-order data correlations beyond paired interactions. We assess our heterogeneous directed hypergraph neural network (HDHGN) on public datasets of Python and Java programs. Our method outperforms previous AST-based and GNN-based methods, which demonstrates the capability of our model.
Authors: Joshua P. Zitovsky, Yating Zou, Leslie Wilson, Michael R. Kosorok
Abstract: In real-world healthcare settings, treatment decisions often involve optimizing for multivariate outcomes such as treatment efficacy and severity of side effects based on individual preferences. However, existing statistical methods for estimating dynamic treatment regimes (DTRs) usually assume a univariate outcome, and the few methods that deal with composite outcomes suffer from limitations such as restrictions to a single time point and limited theoretical guarantees. To address these limitations, we propose Latent Utility Q-Learning (LUQ-Learning), a latent model approach that adapts Q-learning to tackle the aforementioned difficulties. Our framework allows for an arbitrary finite number of decision points and outcomes, incorporates personal preferences, and achieves asymptotic performance guarantees with realistic assumptions. We conduct simulation experiments based on an ongoing trial for low back pain as well as a well-known trial for schizophrenia. In both settings, LUQ-Learning achieves highly competitive performance compared to alternative baselines.
Authors: Patrick Vossler, Sina Aghaei, Nathan Justin, Nathanael Jo, Andr\'es G\'omez, Phebe Vayanos
Abstract: ODTLearn is an open-source Python package that provides methods for learning optimal decision trees for high-stakes predictive and prescriptive tasks based on the mixed-integer optimization (MIO) framework proposed in (Aghaei et al., 2021) and several of its extensions. The current version of the package provides implementations for learning optimal classification trees, optimal fair classification trees, optimal classification trees robust to distribution shifts, and optimal prescriptive trees from observational data. We have designed the package to be easy to maintain and extend as new optimal decision tree problem classes, reformulation strategies, and solution algorithms are introduced. To this end, the package follows object-oriented design principles and supports both commercial (Gurobi) and open source (COIN-OR branch and cut) solvers. The package documentation and an extensive user guide can be found at https://d3m-research-group.github.io/odtlearn/. Additionally, users can view the package source code and submit feature requests and bug reports by visiting https://github.com/D3M-Research-Group/odtlearn.
URLs: https://d3m-research-group.github.io/odtlearn/., https://github.com/D3M-Research-Group/odtlearn.
Authors: Maxwell Joseph Jacobson, Rohan Menon, John Zeng, Yexiang Xue
Abstract: Meta-Reinforcement Learning (Meta-RL) learns optimal policies across a series of related tasks. A central challenge in Meta-RL is rapidly identifying which previously learned task is most similar to a new one, in order to adapt to it quickly. Prior approaches, despite significant success, typically rely on passive exploration strategies such as periods of random action to characterize the new task in relation to the learned ones. While sufficient when tasks are clearly distinguishable, passive exploration limits adaptation speed when informative transitions are rare or revealed only by specific behaviors. We introduce Hypothesis-Planned Exploration (HyPE), a method that actively plans sequences of actions during adaptation to efficiently identify the most similar previously learned task. HyPE operates within a joint latent space, where state-action transitions from different tasks form distinct paths. This latent-space planning approach enables HyPE to serve as a drop-in improvement for most model-based Meta-RL algorithms. By using planned exploration, HyPE achieves exponentially lower failure probability compared to passive strategies when informative transitions are sparse. On a natural language Alchemy game, HyPE identified the closest task in 65-75% of trials, far outperforming the 18-28% passive exploration baseline, and yielding up to 4x more successful adaptations under the same sample budget.
Authors: Samuel Teuber, Bernhard Beckert
Abstract: This work presents insights gained by investigating the relationship between algorithmic fairness and the concept of secure information flow. The problem of enforcing secure information flow is well-studied in the context of information security: If secret information may "flow" through an algorithm or program in such a way that it can influence the program's output, then that is considered insecure information flow as attackers could potentially observe (parts of) the secret. There is a strong correspondence between secure information flow and algorithmic fairness: if protected attributes such as race, gender, or age are treated as secret program inputs, then secure information flow means that these ``secret'' attributes cannot influence the result of a program. While most research in algorithmic fairness evaluation concentrates on studying the impact of algorithms (often treating the algorithm as a black-box), the concepts derived from information flow can be used both for the analysis of disparate treatment as well as disparate impact w.r.t. a structural causal model. In this paper, we examine the relationship between quantitative as well as qualitative information-flow properties and fairness. Moreover, based on this duality, we derive a new quantitative notion of fairness called fairness spread, which can be easily analyzed using quantitative information flow and which strongly relates to counterfactual fairness. We demonstrate that off-the-shelf tools for information-flow properties can be used in order to formally analyze a program's algorithmic fairness properties, including the new notion of fairness spread as well as established notions such as demographic parity.
Authors: Tsufit Shua, Liron David, Mahmood Sharif
Abstract: Traffic-Sign Recognition (TSR) is a critical safety component for autonomous driving. Unfortunately, however, past work has highlighted the vulnerability of TSR models to physical-world attacks, through low-cost, easily deployable adversarial patches leading to misclassification. To mitigate these threats, most defenses focus on altering the training process or modifying the inference procedure. Still, while these approaches improve adversarial robustness, TSR remains susceptible to attacks attaining substantial success rates. To further the adversarial robustness of TSR, this work offers a novel approach that redefines traffic-sign designs to create signs that promote robustness while remaining interpretable to humans. Our framework takes three inputs: (1) A traffic-sign standard along with modifiable features and associated constraints; (2) A state-of-the-art adversarial training method; and (3) A function for efficiently synthesizing realistic traffic-sign images. Using these user-defined inputs, the framework emits an optimized traffic-sign standard such that traffic signs generated per this standard enable training TSR models with increased adversarial robustness. We evaluate the effectiveness of our framework via a concrete implementation, where we allow modifying the pictograms (i.e., symbols) and colors of traffic signs. The results show substantial improvements in robustness -- with gains of up to 16.33%--24.58% in robust accuracy over state-of-the-art methods -- while benign accuracy is even improved. Importantly, a user study also confirms that the redesigned traffic signs remain easily recognizable and to human observers. Overall, the results highlight that carefully redesigning traffic signs can significantly enhance TSR system robustness without compromising human interpretability.
Authors: Yo Joong Choe, Aaditya Ramdas
Abstract: In sequential anytime-valid inference, any admissible procedure must be based on e-processes: generalizations of test martingales that quantify the accumulated evidence against a composite null hypothesis at any stopping time. This paper proposes a method for combining e-processes constructed in different filtrations but for the same null. Although e-processes in the same filtration can be combined effortlessly (by averaging), e-processes in different filtrations cannot because their validity in a coarser filtration does not translate to a finer filtration. This issue arises in sequential tests of randomness and independence, as well as in the evaluation of sequential forecasters. We establish that a class of functions called adjusters can lift arbitrary e-processes across filtrations. The result yields a generally applicable "adjust-then-combine" procedure, which we demonstrate on the problem of testing randomness in real-world financial data. Furthermore, we prove a characterization theorem for adjusters that formalizes a sense in which using adjusters is necessary. There are two major implications. First, if we have a powerful e-process in a coarsened filtration, then we readily have a powerful e-process in the original filtration. Second, when we coarsen the filtration to construct an e-process, there is a logarithmic cost to recovering validity in the original filtration.
Authors: Jaskirat Singh, Emad Fallahzadeh, Bram Adams, Ahmed E. Hassan
Abstract: Deciding what combination of operators to use across the Edge AI tiers to achieve specific latency and model performance requirements is an open question for MLOps engineers. This study aims to empirically assess the accuracy vs inference time trade-off of different black-box Edge AI deployment strategies, i.e., combinations of deployment operators and deployment tiers. In this paper, we conduct inference experiments involving 3 deployment operators (i.e., Partitioning, Quantization, Early Exit), 3 deployment tiers (i.e., Mobile, Edge, Cloud) and their combinations on four widely used Computer-Vision models to investigate the optimal strategies from the point of view of MLOps developers. Our findings suggest that Edge deployment using the hybrid Quantization + Early Exit operator could be preferred over non-hybrid operators (Quantization/Early Exit on Edge, Partition on Mobile-Edge) when faster latency is a concern at medium accuracy loss. However, when minimizing accuracy loss is a concern, MLOps engineers should prefer using only a Quantization operator on edge at a latency reduction or increase, respectively over the Early Exit/Partition (on edge/mobile-edge) and Quantized Early Exit (on edge) operators. In scenarios constrained by Mobile CPU/RAM resources, a preference for Partitioning across mobile and edge tiers is observed over mobile deployment. For models with smaller input data samples (such as FCN), a network-constrained cloud deployment can also be a better alternative than Mobile/Edge deployment and Partitioning strategies. For models with large input data samples (ResNet, ResNext, DUC), an edge tier having higher network/computational capabilities than Cloud/Mobile can be a more viable option than Partitioning and Mobile/Cloud deployment strategies.
Authors: Saad Abdul Ghani, Zizhao Wang, Peter Stone, Xuesu Xiao
Abstract: This paper introduces Dynamic Learning from Learned Hallucination (Dyna-LfLH), a self-supervised method for training motion planners to navigate environments with dense and dynamic obstacles. Classical planners struggle with dense, unpredictable obstacles due to limited computation, while learning-based planners face challenges in acquiring high- quality demonstrations for imitation learning or dealing with exploration inefficiencies in reinforcement learning. Building on Learning from Hallucination (LfH), which synthesizes training data from past successful navigation experiences in simpler environments, Dyna-LfLH incorporates dynamic obstacles by generating them through a learned latent distribution. This enables efficient and safe motion planner training. We evaluate Dyna-LfLH on a ground robot in both simulated and real environments, achieving up to a 25% improvement in success rate compared to baselines.
Authors: Yaqun Yang, Jinlong Lei, Guanghui Wen, Yiguang Hong
Abstract: This paper considers a distributed adaptive optimization problem, where all agents only have access to their local cost functions with a common unknown parameter, whereas they mean to collaboratively estimate the true parameter and find the optimal solution over a connected network. A general mathematical framework for such a problem has not been studied yet. We aim to provide valuable insights for addressing parameter uncertainty in distributed optimization problems and simultaneously find the optimal solution. Thus, we propose a novel distributed scheme, which utilizes distributed fractional Bayesian learning through weighted averaging on the log-beliefs to update the beliefs of unknown parameter, and distributed gradient descent for renewing the estimation of the optimal solution. Then under suitable assumptions, we prove that all agents' beliefs and decision variables converge almost surely to the true parameter and the optimal solution under the true parameter, respectively. We further establish a sublinear convergence rate for the belief sequence. Finally, numerical experiments are implemented to corroborate the theoretical analysis.
Authors: Petar Bevanda, Bas Driessen, Lucian Cristian Iacob, Stefan Sosnowski, Roland T\'oth, Sandra Hirche
Abstract: This paper presents a novel Koopman composition operator representation framework for control systems in reproducing kernel Hilbert spaces (RKHSs) that is free of explicit dictionary or input parametrizations. By establishing fundamental equivalences between different model representations, we are able to close the gap of control system operator learning and infinite-dimensional regression, enabling various empirical estimators and the connection to the well-understood learning theory in RKHSs under one unified framework. Consequently, our proposed framework allows for arbitrarily accurate finite-rank approximations in infinite-dimensional spaces and leads to finite-dimensional predictors without apriori restrictions to a finite span of functions or inputs. To enable applications to high-dimensional control systems, we improve the scalability of our proposed control Koopman operator estimates by utilizing sketching techniques. Numerical experiments demonstrate superior prediction accuracy compared to bilinear EDMD, especially in high dimensions. Finally, we show that our learned models are readily interfaced with linear-parameter-varying techniques for model predictive control.
Authors: Yang Zhang, Shixin Yang, Chenjia Bai, Fei Wu, Xiu Li, Zhen Wang, Xuelong Li
Abstract: Grounding the reasoning ability of large language models (LLMs) for embodied tasks is challenging due to the complexity of the physical world. Especially, LLM planning for multi-agent collaboration requires communication of agents or credit assignment as the feedback to re-adjust the proposed plans and achieve effective coordination. However, existing methods that overly rely on physical verification or self-reflection suffer from excessive and inefficient querying of LLMs. In this paper, we propose a novel framework for multi-agent collaboration that introduces Reinforced Advantage feedback (ReAd) for efficient self-refinement of plans. Specifically, we perform critic regression to learn a sequential advantage function from LLM-planned data, and then treat the LLM planner as an optimizer to generate actions that maximize the advantage function. It endows the LLM with the foresight to discern whether the action contributes to accomplishing the final task. We provide theoretical analysis by extending advantage-weighted regression in reinforcement learning to multi-agent systems. Experiments on Overcooked-AI and a difficult variant of RoCoBench show that ReAd surpasses baselines in success rate, and also significantly decreases the interaction steps of agents and query rounds of LLMs, demonstrating its high efficiency for grounding LLMs. More results are given at https://read-llm.github.io.
Authors: Zhaosong Lu, Sanyou Mei, Yifeng Xiao
Abstract: In this paper, we study a class of deterministically constrained stochastic optimization problems. Existing methods typically aim to find an $\epsilon$-stochastic stationary point, where the expected violations of both constraints and first-order stationarity are within a prescribed accuracy $\epsilon$. However, in many practical applications, it is crucial that the constraints be nearly satisfied with certainty, making such an $\epsilon$-stochastic stationary point potentially undesirable due to the risk of significant constraint violations. To address this issue, we propose single-loop variance-reduced stochastic first-order methods, where the stochastic gradient of the stochastic component is computed using either a truncated recursive momentum scheme or a truncated Polyak momentum scheme for variance reduction, while the gradient of the deterministic component is computed exactly. Under the error bound condition with a parameter $\theta \geq 1$ and other suitable assumptions, we establish that these methods respectively achieve a sample and first-order operation complexity of $\widetilde O(\epsilon^{-\max\{\theta+2, 2\theta\}})$ and $\widetilde O(\epsilon^{-\max\{4, 2\theta\}})$ for finding a stronger $\epsilon$-stochastic stationary point, where the constraint violation is within $\epsilon$ with certainty, and the expected violation of first-order stationarity is within $\epsilon$. For $\theta=1$, these complexities reduce to $\widetilde O(\epsilon^{-3})$ and $\widetilde O(\epsilon^{-4})$ respectively, which match, up to a logarithmic factor, the best-known complexities achieved by existing methods for finding an $\epsilon$-stochastic stationary point of unconstrained smooth stochastic optimization problems.
Authors: Yifan Zhang, Yang Yuan, Andrew Chi-Chih Yao
Abstract: Large Language Models (LLMs) excel at many tasks but often falter on complex problems that require structured, multi-step reasoning. We introduce the Diagram of Thought (DoT), a new framework that enables a single LLM to build and navigate a mental map of its reasoning. Instead of thinking in a straight line, the model constructs a dynamic diagram of ideas, where it can propose different lines of thought, critique its own steps, and synthesize validated insights into a final conclusion. This entire process is self-contained within the model, making it highly efficient by avoiding the complex external controllers or search algorithms required by other methods. To ensure the reliability of this process, we ground DoT in a rigorous mathematical framework from category theory. This foundation guarantees that the way the model combines information is logical, consistent, and robust, regardless of the order in which ideas were explored. The result is a more powerful and transparent reasoning process that produces a fully auditable, step-by-step trace of the LLM's thinking, bridging the gap between fluent language and formal reasoning.
Authors: Benoit Oriol
Abstract: We address the issue of computing the non-linear shrinkage formulas for the weighted sample covariance in high dimension. We use theoretical properties of the asymptotic sample spectrum in order to derive the \textit{WeSpeR} algorithm and significantly speed up non-linear shrinkage in dimension higher than $1000$. Empirical tests confirm the good properties of the \textit{WeSpeR} algorithm. We provide the implementation in PyTorch for it.
Authors: Tao Yu, Zhaonian Zou, Hao Xiong
Abstract: Index tuning is crucial for optimizing database performance by selecting optimal indexes based on workload. The key to this process lies in an accurate and efficient benefit estimator. Traditional methods relying on what-if tools often suffer from inefficiency and inaccuracy. In contrast, learning-based models provide a promising alternative but face challenges such as instability, lack of interpretability, and complex management. To overcome these limitations, we adopt a novel approach: quantifying the uncertainty in learning-based models' results, thereby combining the strengths of both traditional and learning-based methods for reliable index tuning. We propose Beauty, the first uncertainty-aware framework that enhances learning-based models with uncertainty quantification and uses what-if tools as a complementary mechanism to improve reliability and reduce management complexity. Specifically, we introduce a novel method that combines AutoEncoder and Monte Carlo Dropout to jointly quantify uncertainty, tailored to the characteristics of benefit estimation tasks. In experiments involving sixteen models, our approach outperformed existing uncertainty quantification methods in the majority of cases. We also conducted index tuning tests on six datasets. By applying the Beauty framework, we eliminated worst-case scenarios and more than tripled the occurrence of best-case scenarios.
Authors: Donald Loveland, Xinyi Wu, Tong Zhao, Danai Koutra, Neil Shah, Mingxuan Ju
Abstract: Collaborative Filtering (CF) methods dominate real-world recommender systems given their ability to learn high-quality, sparse ID-embedding tables that effectively capture user preferences. These tables scale linearly with the number of users and items, and are trained to ensure high similarity between embeddings of interacted user-item pairs, while maintaining low similarity for non-interacted pairs. Despite their high performance, encouraging dispersion for non-interacted pairs necessitates expensive regularization (e.g., negative sampling), hurting runtime and scalability. Existing research tends to address these challenges by simplifying the learning process, either by reducing model complexity or sampling data, trading performance for runtime. In this work, we move beyond model-level modifications and study the properties of the embedding tables under different learning strategies. Through theoretical analysis, we find that the singular values of the embedding tables are intrinsically linked to different CF loss functions. These findings are empirically validated on real-world datasets, demonstrating the practical benefits of higher stable rank, a continuous version of matrix rank which encodes the distribution of singular values. Based on these insights, we propose an efficient warm-start strategy that regularizes the stable rank of the user and item embeddings. We show that stable rank regularization during early training phases can promote higher-quality embeddings, resulting in training speed improvements of up to 66%. Additionally, stable rank regularization can act as a proxy for negative sampling, allowing for performance gains of up to 21% over loss functions with small negative sampling ratios. Overall, our analysis unifies current CF methods under a new perspective, their optimization of stable rank, motivating a flexible regularization method.
Authors: John Chen, Alexandros Lotsos, Sihan Cheng, Caiyi Wang, Lexie Zhao, Jessica Hullman, Bruce Sherin, Uri Wilensky, Michael Horn
Abstract: Qualitative analysis is critical to understanding human datasets in many social science disciplines. A central method in this process is inductive coding, where researchers identify and interpret codes directly from the datasets themselves. Yet, this exploratory approach poses challenges for meeting methodological expectations (such as ``depth'' and ``variation''), especially as researchers increasingly adopt Generative AI (GAI) for support. Ground-truth-based metrics are insufficient because they contradict the exploratory nature of inductive coding, while manual evaluation can be labor-intensive. This paper presents a theory-informed computational method for measuring inductive coding results from humans and GAI. Our method first merges individual codebooks using an LLM-enriched algorithm. It measures each coder's contribution against the merged result using four novel metrics: Coverage, Overlap, Novelty, and Divergence. Through two experiments on a human-coded online conversation dataset, we 1) reveal the merging algorithm's impact on metrics; 2) validate the metrics' stability and robustness across multiple runs and different LLMs; and 3) showcase the metrics' ability to diagnose coding issues, such as excessive or irrelevant (hallucinated) codes. Our work provides a reliable pathway for ensuring methodological rigor in human-AI qualitative analysis.
Authors: Tathagata Sadhukhan, Manit Paul, Raaz Dwivedi
Abstract: Nearest neighbor (NN) algorithms have been extensively used for missing data problems in recommender systems and sequential decision-making systems. Prior theoretical analysis has established favorable guarantees for NN when the underlying data is sufficiently smooth and the missingness probabilities are lower bounded. Here we analyze NN with non-smooth non-linear functions with vast amounts of missingness. In particular, we consider matrix completion settings where the entries of the underlying matrix follow a latent non-linear factor model, with the non-linearity belonging to a \Holder function class that is less smooth than Lipschitz. Our results establish following favorable properties for a suitable two-sided NN: (1) The mean squared error (MSE) of NN adapts to the smoothness of the non-linearity, (2) under certain regularity conditions, the NN error rate matches the rate obtained by an oracle equipped with the knowledge of both the row and column latent factors, and finally (3) NN's MSE is non-trivial for a wide range of settings even when several matrix entries might be missing deterministically. We support our theoretical findings via extensive numerical simulations and a case study with data from a mobile health study, HeartSteps.
Authors: Ahmed Luqman, Khuzemah Qazi, Murray Patterson, Malik Jehan Khan, Imdadullah Khan
Abstract: Despite the success of CNN models on a variety of Image classification and segmentation tasks, their extensive computational and storage demands pose considerable challenges for real-world deployment on resource-constrained devices. Quantization is one technique that aims to alleviate these large storage requirements and speed up the inference process by reducing the precision of model parameters to lower-bit representations. In this paper, we introduce a novel post-training quantization method for model weights. Our method finds optimal clipping thresholds and scaling factors along with mathematical guarantees that our method minimizes quantization noise. Empirical results on real-world datasets demonstrate that our quantization scheme significantly reduces model size and computational requirements while preserving model accuracy.
Authors: Yi Xu, Yuxin Hu, Zaiwei Zhang, Gregory P. Meyer, Siva Karthik Mustikovela, Siddhartha Srinivasa, Eric M. Wolff, Xin Huang
Abstract: Human drivers rely on commonsense reasoning to navigate diverse and dynamic real-world scenarios. Existing end-to-end (E2E) autonomous driving (AD) models are typically optimized to mimic driving patterns observed in data, without capturing the underlying reasoning processes. This limitation constrains their ability to handle challenging driving scenarios. To close this gap, we propose VLM-AD, a method that leverages vision-language models (VLMs) as teachers to enhance training by providing additional supervision that incorporates unstructured reasoning information and structured action labels. Such supervision enhances the model's ability to learn richer feature representations that capture the rationale behind driving patterns. Importantly, our method does not require a VLM during inference, making it practical for real-time deployment. When integrated with state-of-the-art methods, VLM-AD achieves significant improvements in planning accuracy and reduced collision rates on the nuScenes dataset. It further improves route completion and driving scores under closed-loop evaluation, demonstrating its effectiveness in long-horizon, interactive driving scenarios and its potential for safe and reliable real-world deployment.
Authors: Hallee E. Wong, Jose Javier Gonzalez Ortiz, John Guttag, Adrian V. Dalca
Abstract: Medical researchers and clinicians often need to perform novel segmentation tasks on a set of related images. Existing methods for segmenting a new dataset are either interactive, requiring substantial human effort for each image, or require an existing set of previously labeled images. We introduce a system, MultiverSeg, that enables practitioners to rapidly segment an entire new dataset without requiring access to any existing labeled data from that task or domain. Along with the image to segment, the model takes user interactions such as clicks, bounding boxes or scribbles as input, and predicts a segmentation. As the user segments more images, those images and segmentations become additional inputs to the model, providing context. As the context set of labeled images grows, the number of interactions required to segment each new image decreases. We demonstrate that MultiverSeg enables users to interactively segment new datasets efficiently, by amortizing the number of interactions per image to achieve an accurate segmentation. Compared to using a state-of-the-art interactive segmentation method, MultiverSeg reduced the total number of clicks by 36% and scribble steps by 25% to achieve 90% Dice on sets of images from unseen tasks. We release code and model weights at https://multiverseg.csail.mit.edu
Authors: Saughmon Boujkian
Abstract: This study examines the cross-linguistic effectiveness of transfer learning for low-resource machine translation by fine-tuning models initially trained on typologically similar high-resource languages, using limited data from the target low-resource language. We hypothesize that linguistic similarity enables efficient adaptation, reducing the need for extensive training data. To test this, we conduct experiments on five typologically diverse language pairs spanning distinct families: Semitic (Modern Standard Arabic to Levantine Arabic), Bantu (Hausa to Zulu), Romance (Spanish to Catalan), Slavic (Slovak to Macedonian), and a language isolate (Eastern Armenian to Western Armenian). Results show that transfer learning consistently improves translation quality across all pairs, confirming its applicability beyond closely related languages. As a secondary analysis, we vary key hyperparameters learning rate, batch size, number of epochs, and weight decay to ensure results are not dependent on a single configuration. We find that moderate batch sizes (e.g., 32) are often optimal for similar pairs, smaller sizes benefit less similar pairs, and excessively high learning rates can destabilize training. These findings provide empirical evidence for the generalizability of transfer learning across language families and offer practical guidance for building machine translation systems in low-resource settings with minimal tuning effort.
Authors: Taywon Min, Haeone Lee, Yongchan Kwon, Kimin Lee
Abstract: In Reinforcement Learning from Human Feedback (RLHF), it is crucial to learn suitable reward models from human feedback to align large language models (LLMs) with human intentions. However, human feedback can often be noisy, inconsistent, or biased, especially when evaluating complex responses. Such feedback can lead to misaligned reward signals, potentially causing unintended side effects during the RLHF process. To address these challenges, we explore the use of influence functions to measure the impact of human feedback on the performance of reward models. We propose a compute-efficient approximation method that enables the application of influence functions to LLM-based reward models and large-scale preference datasets. Our experiments showcase two key applications of influence functions: (1) detecting common labeler biases in human feedback datasets and (2) guiding labelers in refining their strategies to better align with expert feedback. By quantifying the impact of human feedback, we believe that influence functions can enhance feedback interpretability and contribute to scalable oversight in RLHF, helping labelers provide more accurate and consistent feedback. Source code is available at https://github.com/mintaywon/IF_RLHF
Authors: Guillaume O. Berger
Abstract: Scenario decision making offers a flexible way of making decision in an uncertain environment while obtaining probabilistic guarantees on the risk of failure of the decision. The idea of this approach is to draw samples of the uncertainty and make a decision based on the samples, called "scenarios". The probabilistic guarantees take the form of a bound on the probability of sampling a set of scenarios that will lead to a decision whose risk of failure is above a given maximum tolerance. This bound can be expressed as a function of the number of sampled scenarios, the maximum tolerated risk, and some intrinsic property of the problem called the "compression size". Several such bounds have been proposed in the literature under various assumptions on the problem. We propose new bounds that improve upon the existing ones without requiring stronger assumptions on the problem.
Authors: Xiaolu Hou, Mingcheng Li, Dingkang Yang, Jiawei Chen, Ziyun Qian, Xiao Zhao, Yue Jiang, Jinjie Wei, Qingyao Xu, Lihua Zhang
Abstract: With the widespread use of virtual reality applications, 3D scene generation has become a new challenging research frontier. 3D scenes have highly complex structures and need to ensure that the output is dense, coherent, and contains all necessary structures. Many current 3D scene generation methods rely on pre-trained text-to-image diffusion models and monocular depth estimators. However, the generated scenes occupy large amounts of storage space and often lack effective regularisation methods, leading to geometric distortions. To this end, we propose BloomScene, a lightweight structured 3D Gaussian splatting for crossmodal scene generation, which creates diverse and high-quality 3D scenes from text or image inputs. Specifically, a crossmodal progressive scene generation framework is proposed to generate coherent scenes utilizing incremental point cloud reconstruction and 3D Gaussian splatting. Additionally, we propose a hierarchical depth prior-based regularization mechanism that utilizes multi-level constraints on depth accuracy and smoothness to enhance the realism and continuity of the generated scenes. Ultimately, we propose a structured context-guided compression mechanism that exploits structured hash grids to model the context of unorganized anchor attributes, which significantly eliminates structural redundancy and reduces storage overhead. Comprehensive experiments across multiple scenes demonstrate the significant potential and advantages of our framework compared with several baselines.
Authors: Rui Li, Xiaohan Wang, Yuhui Zhang, Orr Zohar, Zeyu Wang, Serena Yeung-Levy
Abstract: Despite significant advancements in video large multimodal models (video-LMMs), achieving effective temporal grounding in long-form videos remains a challenge for existing models. To address this limitation, we propose Temporal Preference Optimization (TPO), a novel post-training framework designed to enhance the temporal grounding capabilities of video-LMMs through preference learning. TPO adopts a self-training approach that enables models to differentiate between well-grounded and less accurate temporal responses by leveraging curated preference datasets at two granularities: localized temporal grounding, which focuses on specific video segments, and comprehensive temporal grounding, which captures extended temporal dependencies across entire video sequences. By optimizing on these preference datasets, TPO significantly enhances temporal understanding while reducing reliance on manually annotated data. Extensive experiments on three long-form video understanding benchmarks--LongVideoBench, MLVU, and Video-MME--demonstrate the effectiveness of TPO across two state-of-the-art video-LMMs. Notably, LLaVA-Video-TPO establishes itself as the leading 7B model on the Video-MME benchmark, underscoring the potential of TPO as a scalable and efficient solution for advancing temporal reasoning in long-form video understanding. Project page: https://ruili33.github.io/tpo_website.
Authors: Andrew M Birnbaum, Adam Buchwald, Peter Turkeltaub, Adam Jacks, George Carra, Shreya Kannana, Yu Huang, Abhisheck Datta, Lucas C Parra, Lukas A Hirsch
Abstract: Purpose: The goal of this work was to develop a deep network for whole-head segmentation including clinical MRIs with abnormal anatomy, and compile the first public benchmark dataset for this purpose. We collected 98 MRIs with volumetric segmentation labels for a diverse set of human subjects including normal, as well as abnormal anatomy in clinical cases of stroke and disorders of consciousness. Approach: Training labels were generated by manually correcting initial automated segmentations for skin/scalp, skull, CSF, gray matter, white matter, air cavity and extracephalic air. We developed a MultiAxial network consisting of three 2D U-Net that operate independently in sagittal, axial and coronal planes and are then combined to produce a single 3D segmentation. Results: The MultiAxial network achieved a test-set Dice scores of 0.88+-0.04 (median +- interquartile range) on whole head segmentation including gray and white matter. This compared to 0.86 +- 0.04 for Multipriors and 0.79 +- 0.10 for SPM12, two standard tools currently available for this task. The MultiAxial network gains in robustness by avoiding the need for coregistration with an atlas. It performed well in regions with abnormal anatomy and on images that have been de-identified. It enables more accurate and robust current flow modeling when incorporated into ROAST, a widely-used modeling toolbox for transcranial electric stimulation.Conclusions: We are releasing a new state-of-the-art tool for whole-head MRI segmentation in abnormal anatomy, along with the largest volume of labeled clinical head MRIs including labels for non-brain structures. Together the model and data may serve as a benchmark for future efforts.
Authors: Moritz Wolter, Lokesh Veeramacheneni, Charles Tapley Hoyt
Abstract: While experimental reproduction remains a pillar of the scientific method, we observe that the software best practices supporting the reproduction of machine learning ( ML ) research are often undervalued or overlooked, leading both to poor reproducibility and damage to trust in the ML community. We quantify these concerns by surveying the usage of software best practices in software repositories associated with publications at major ML conferences and journals such as NeurIPS, ICML, ICLR, TMLR, and MLOSS within the last decade. We report the results of this survey that identify areas where software best practices are lacking and areas with potential for growth in the ML community. Finally, we discuss the implications and present concrete recommendations on how we, as a community, can improve reproducibility in ML research.
Authors: DiJia Su, Hanlin Zhu, Yingchen Xu, Jiantao Jiao, Yuandong Tian, Qinqing Zheng
Abstract: Large Language Models (LLMs) excel at reasoning and planning when trained on chainof-thought (CoT) data, where the step-by-step thought process is explicitly outlined by text tokens. However, this results in lengthy inputs where many words support textual coherence rather than core reasoning information, and processing these inputs consumes substantial computation resources. In this work, we propose a hybrid representation of the reasoning process, where we partially abstract away the initial reasoning steps using latent discrete tokens generated by VQ-VAE, significantly reducing the length of reasoning traces. We explore the use of latent trace abstractions in two scenarios: 1) training the model from scratch for the Keys-Finding Maze problem, 2) fine-tuning LLMs on this hybrid data with an extended vocabulary including unseen latent tokens, for both logical and mathematical reasoning problems. To facilitate effective learning, we introduce a simple training procedure that randomly mixes latent and text tokens, which enables fast adaptation to new latent tokens. Our approach consistently outperforms the baselines methods in various benchmarks.
Authors: Gabriele La Malfa, Jie M. Zhang, Michael Luck, Elizabeth Black
Abstract: Fairness in multi-agent systems (MAS) focuses on equitable reward distribution among agents in scenarios involving sensitive attributes such as race, gender, or socioeconomic status. This paper introduces fairness in Proximal Policy Optimization (PPO) with a penalty term derived from a fairness definition such as demographic parity, counterfactual fairness, or conditional statistical parity. The proposed method, which we call Fair-PPO, balances reward maximisation with fairness by integrating two penalty components: a retrospective component that minimises disparities in past outcomes and a prospective component that ensures fairness in future decision-making. We evaluate our approach in two games: the Allelopathic Harvest, a cooperative and competitive MAS focused on resource collection, where some agents possess a sensitive attribute, and HospitalSim, a hospital simulation, in which agents coordinate the operations of hospital patients with different mobility and priority needs. Experiments show that Fair-PPO achieves fairer policies than PPO across the fairness metrics and, through the retrospective and prospective penalty components, reveals a wide spectrum of strategies to improve fairness; at the same time, its performance pairs with that of state-of-the-art fair reinforcement-learning algorithms. Fairness comes at the cost of reduced efficiency, but does not compromise equality among the overall population (Gini index). These findings underscore the potential of Fair-PPO to address fairness challenges in MAS.
Authors: Alireza Heidari, Amirhossein Ahmadi, Wei Zhang
Abstract: In this paper, we introduce DobLIX, a dual-objective learned index specifically designed for Log-Structured Merge(LSM) tree-based key-value stores. Although traditional learned indexes focus exclusively on optimizing index lookups, they often overlook the impact of data access from storage, resulting in performance bottlenecks. DobLIX addresses this by incorporating a second objective, data access optimization, into the learned index training process. This dual-objective approach ensures that both index lookup efficiency and data access costs are minimized, leading to significant improvements in read performance while maintaining write efficiency in real-world LSM-tree systems. Additionally, DobLIX features a reinforcement learning agent that dynamically tunes the system parameters, allowing it to adapt to varying workloads in real-time. Experimental results using real-world datasets demonstrate that DobLIX reduces indexing overhead and improves throughput by 1.19 to 2.21 times compared to state-of-the-art methods within RocksDB, a widely used LSM-tree-based storage engine.
Authors: Yanmeng Wang, Wenkai Ji, Jian Zhou, Fu Xiao, Tsung-Hui Chang
Abstract: Federated learning (FL) has emerged as a promising distributed learning paradigm for training deep neural networks (DNNs) at the wireless edge, but its performance can be severely hindered by unreliable wireless transmission and inherent data heterogeneity among clients. Existing solutions primarily address these challenges by incorporating wireless resource optimization strategies, often focusing on uplink resource allocation across clients under the assumption of homogeneous client-server network standards. However, these approaches overlooked the fact that mobile clients may connect to the server via diverse network standards (e.g., 4G, 5G, Wi-Fi) with customized configurations, limiting the flexibility of server-side modifications and restricting applicability in real-world commercial networks. This paper presents a novel theoretical analysis about how transmission failures in unreliable networks distort the effective label distributions of local samples, causing deviations from the global data distribution and introducing convergence bias in FL. Our analysis reveals that a carefully designed client selection strategy can mitigate biases induced by network unreliability and data heterogeneity. Motivated by this insight, we propose FedCote, a client selection approach that optimizes client selection probabilities without relying on wireless resource scheduling. Experimental results demonstrate the robustness of FedCote in DNN-based classification tasks under unreliable networks with frequent transmission failures.
Authors: Kerem Zaman, Shashank Srivastava
Abstract: Large Language Models (LLMs) offer natural language explanations as an alternative to feature attribution methods for model interpretability. However, despite their plausibility, they may not reflect the model's true reasoning faithfully, which is crucial for understanding the model's true decision-making processes. Although several faithfulness metrics have been proposed, they are often evaluated in isolation, making direct, principled comparisons between them difficult. Here, we present Causal Diagnosticity, a framework that serves as a common testbed to evaluate faithfulness metrics for natural language explanations. Our framework employs the concept of diagnosticity, and uses model-editing methods to generate faithful-unfaithful explanation pairs. Our benchmark includes four tasks: fact-checking, analogy, object counting, and multi-hop reasoning. We evaluate prominent faithfulness metrics, including post-hoc explanation and chain-of-thought-based methods. We find that diagnostic performance varies across tasks and models, with Filler Tokens performing best overall. Additionally, continuous metrics are generally more diagnostic than binary ones but can be sensitive to noise and model choice. Our results highlight the need for more robust faithfulness metrics.
Authors: Toru Lin, Kartik Sachdev, Linxi Fan, Jitendra Malik, Yuke Zhu
Abstract: Learning generalizable robot manipulation policies, especially for complex multi-fingered humanoids, remains a significant challenge. Existing approaches primarily rely on extensive data collection and imitation learning, which are expensive, labor-intensive, and difficult to scale. Sim-to-real reinforcement learning (RL) offers a promising alternative, but has mostly succeeded in simpler state-based or single-hand setups. How to effectively extend this to vision-based, contact-rich bimanual manipulation tasks remains an open question. In this paper, we introduce a practical sim-to-real RL recipe that trains a humanoid robot to perform three challenging dexterous manipulation tasks: grasp-and-reach, box lift and bimanual handover. Our method features an automated real-to-sim tuning module, a generalized reward formulation based on contact and object goals, a divide-and-conquer policy distillation framework, and a hybrid object representation strategy with modality-specific augmentation. We demonstrate high success rates on unseen objects and robust, adaptive policy behaviors -- highlighting that vision-based dexterous manipulation via sim-to-real RL is not only viable, but also scalable and broadly applicable to real-world humanoid manipulation tasks.
Authors: Rui Hu, Delai Qiu, Shuyu Wei, Jiaming Zhang, Yining Wang, Shengping Liu, Jitao Sang
Abstract: Omnimodal Large Language Models (OLLMs) have shown significant progress in integrating vision and text, but still struggle with integrating vision and audio, often exhibiting suboptimal performance when processing audio queries compared to text queries. This disparity is primarily due to insufficient alignment between vision and audio modalities during training, leading to inadequate attention to visual information when using audio queries. To mitigate this issue, we propose a Self-Knowledge Distillation (Self-KD) training method where the vision-text component of the OLLM serves as the teacher and the vision-audio component as the student. This enables the model to process audio in a manner analogous to its text processing. Our experimental results demonstrate that Self-KD is an effective method for enhancing the vision-audio capabilities of OLLMs by learning from the vision-text components, which subsequently improves the interaction between audio and images and results in improved performance on multimodal tasks.
Authors: Arya Akhavan, Alexandre B. Tsybakov
Abstract: We address the problem of zero-order optimization from noisy observations for an objective function satisfying the Polyak-{\L}ojasiewicz or the strong convexity condition. Additionally, we assume that the objective function has an additive structure and satisfies a higher-order smoothness property, characterized by the H\"older family of functions. The additive model for H\"older classes of functions is well-studied in the literature on nonparametric function estimation, where it is shown that such a model benefits from a substantial improvement of the estimation accuracy compared to the H\"older model without additive structure. We study this established framework in the context of gradient-free optimization. We propose a randomized gradient estimator that, when plugged into a gradient descent algorithm, allows one to achieve minimax optimal optimization error of the order $dT^{-(\beta-1)/\beta}$, where $d$ is the dimension of the problem, $T$ is the number of queries and $\beta\ge 2$ is the H\"older degree of smoothness. We conclude that, in contrast to nonparametric estimation problems, no substantial gain of accuracy can be achieved when using additive models in gradient-free optimization.
Authors: Shai Bergman, Zhang Ji, Anne-Marie Kermarrec, Diana Petrescu, Rafael Pires, Mathis Randl, Martijn de Vos
Abstract: Retrieval-augmented generation (RAG) improves the reliability of large language model (LLM) answers by integrating external knowledge. However, RAG increases the end-to-end inference time since looking for relevant documents from large vector databases is computationally expensive. To address this, we introduce Proximity, an approximate key-value cache that optimizes the RAG workflow by leveraging similarities in user queries. Instead of treating each query independently, Proximity reuses previously retrieved documents when similar queries appear, substantially reducing reliance on expensive vector database lookups. To scale efficiently, Proximity employs a locality-sensitive hashing (LSH) scheme that enables fast cache lookups while preserving retrieval accuracy. We evaluate Proximity using the MMLU and MedRAG question answering benchmarks. Our experiments demonstrate that Proximity with our LSH scheme and a realistically skewed MedRAG workload reduces database calls by 78.9% while maintaining database recall and test accuracy. We experiment with different similarity tolerances and cache capacities, and show that the time spent within the Proximity cache remains low and constant (4.8 microseconds) even as the cache grows substantially in size. Our work highlights that approximate caching is a viable and effective strategy for optimizing RAG-based systems.
Authors: Jiale Cheng, Ruiliang Lyu, Xiaotao Gu, Xiao Liu, Jiazheng Xu, Yida Lu, Jiayan Teng, Zhuoyi Yang, Yuxiao Dong, Jie Tang, Hongning Wang, Minlie Huang
Abstract: Video generation models have achieved remarkable progress in text-to-video tasks. These models are typically trained on text-video pairs with highly detailed and carefully crafted descriptions, while real-world user inputs during inference are often concise, vague, or poorly structured. This gap makes prompt optimization crucial for generating high-quality videos. Current methods often rely on large language models (LLMs) to refine prompts through in-context learning, but suffer from several limitations: they may distort user intent, omit critical details, or introduce safety risks. Moreover, they optimize prompts without considering the impact on the final video quality, which can lead to suboptimal results. To address these issues, we introduce VPO, a principled framework that optimizes prompts based on three core principles: harmlessness, accuracy, and helpfulness. The generated prompts faithfully preserve user intents and, more importantly, enhance the safety and quality of generated videos. To achieve this, VPO employs a two-stage optimization approach. First, we construct and refine a supervised fine-tuning (SFT) dataset based on principles of safety and alignment. Second, we introduce both text-level and video-level feedback to further optimize the SFT model with preference learning. Our extensive experiments demonstrate that VPO significantly improves safety, alignment, and video quality compared to baseline methods. Moreover, VPO shows strong generalization across video generation models. Furthermore, we demonstrate that VPO could outperform and be combined with RLHF methods on video generation models, underscoring the effectiveness of VPO in aligning video generation models. Our code and data are publicly available at https://github.com/thu-coai/VPO.
Authors: Yuhao Huang, Ao Chang, Haoran Dou, Xing Tao, Xinrui Zhou, Yan Cao, Ruobing Huang, Alejandro F Frangi, Lingyun Bao, Xin Yang, Dong Ni
Abstract: Accurate segmentation of nodules in both 2D breast ultrasound (BUS) and 3D automated breast ultrasound (ABUS) is crucial for clinical diagnosis and treatment planning. Therefore, developing an automated system for nodule segmentation can enhance user independence and expedite clinical analysis. Unlike fully-supervised learning, weakly-supervised segmentation (WSS) can streamline the laborious and intricate annotation process. However, current WSS methods face challenges in achieving precise nodule segmentation, as many of them depend on inaccurate activation maps or inefficient pseudo-mask generation algorithms. In this study, we introduce a novel multi-agent reinforcement learning-based WSS framework called Flip Learning, which relies solely on 2D/3D boxes for accurate segmentation. Specifically, multiple agents are employed to erase the target from the box to facilitate classification tag flipping, with the erased region serving as the predicted segmentation mask. The key contributions of this research are as follows: (1) Adoption of a superpixel/supervoxel-based approach to encode the standardized environment, capturing boundary priors and expediting the learning process. (2) Introduction of three meticulously designed rewards, comprising a classification score reward and two intensity distribution rewards, to steer the agents' erasing process precisely, thereby avoiding both under- and over-segmentation. (3) Implementation of a progressive curriculum learning strategy to enable agents to interact with the environment in a progressively challenging manner, thereby enhancing learning efficiency. Extensively validated on the large in-house BUS and ABUS datasets, our Flip Learning method outperforms state-of-the-art WSS methods and foundation models, and achieves comparable performance as fully-supervised learning algorithms.
Authors: Danilo Naiff, Bernardo P. Schaeffer, Gustavo Pires, Dragan Stojkovic, Thomas Rapstine, Fabio Ramos
Abstract: Note: The final version of this article was published in Computers and Geosciences, Volume 206, January 2026, 106038. DOI: 10.1016/j.cageo.2025.106038. Readers should refer to the published version for the most up-to-date content. Three-dimensional digital reconstruction of porous media presents a fundamental challenge in geoscience, requiring simultaneous resolution of fine-scale pore structures while capturing representative elementary volumes. We introduce a computational framework that addresses this challenge through latent diffusion models operating within the EDM framework. Our approach reduces dimensionality via a custom variational autoencoder trained in binary geological volumes, improving efficiency and also enabling the generation of larger volumes than previously possible with diffusion models. A key innovation is our controlled unconditional sampling methodology, which enhances distribution coverage by first sampling target statistics from their empirical distributions, then generating samples conditioned on these values. Extensive testing on four distinct rock types demonstrates that conditioning on porosity - a readily computable statistic - is sufficient to ensure a consistent representation of multiple complex properties, including permeability, two-point correlation functions, and pore size distributions. The framework achieves better generation quality than pixel-space diffusion while enabling significantly larger volume reconstruction (256-cube voxels) with substantially reduced computational requirements, establishing a new state-of-the-art for digital rock physics applications.
Authors: Andreas Panayiotou, Panayiotis Charalambous, Ioannis Karamouzas
Abstract: Over the past two decades, researchers have made significant advancements in simulating human crowds, yet these efforts largely focus on low-level tasks like collision avoidance and a narrow range of behaviors such as path following and flocking. However, creating compelling crowd scenes demands more than just functional movement-it requires capturing high-level interactions between agents, their environment, and each other over time. To address this issue, we introduce Gen-C, a generative model to automate the task of authoring high-level crowd behaviors. Gen-C bypasses the labor-intensive and challenging task of collecting and annotating real crowd video data by leveraging a large language model (LLM) to generate a limited set of crowd scenarios, which are subsequently expanded and generalized through simulations to construct time-expanded graphs that model the actions and interactions of virtual agents. Our method employs two Variational Graph Auto-Encoders guided by a condition prior network: one dedicated to learning a latent space for graph structures (agent interactions) and the other for node features (agent actions and navigation). This setup enables the flexible generation of dynamic crowd interactions. The trained model can be conditioned on natural language, empowering users to synthesize novel crowd behaviors from text descriptions. We demonstrate the effectiveness of our approach in two scenarios, a University Campus and a Train Station, showcasing its potential for populating diverse virtual environments with agents exhibiting varied and dynamic behaviors that reflect complex interactions and high-level decision-making patterns.
Authors: Adithya Krishna, Sohan Debnath, Madhuvanthi Srivatsav, Andr\'e van Schaik, Mahesh Mehendale, Chetan Singh Thakur
Abstract: High-quality, multi-channel neural recording is indispensable for neuroscience research and clinical applications. Large-scale brain recordings often produce vast amounts of data that must be wirelessly transmitted for subsequent offline analysis and decoding, especially in brain-computer interfaces (BCIs) utilizing high-density intracortical recordings with hundreds or thousands of electrodes. However, transmitting raw neural data presents significant challenges due to limited communication bandwidth and resultant excessive heating. To address this challenge, we propose a neural signal compression scheme utilizing Convolutional Autoencoders (CAEs), which achieves a compression ratio of up to 150 for compressing local field potentials (LFPs). The CAE encoder section is implemented on RAMAN, an energy-efficient tinyML accelerator designed for edge computing. RAMAN leverages sparsity in activation and weights through zero skipping, gating, and weight compression techniques. Additionally, we employ hardware-software co-optimization by pruning the CAE encoder model parameters using a hardware-aware balanced stochastic pruning strategy, resolving workload imbalance issues and eliminating indexing overhead to reduce parameter storage requirements by up to 32.4%. Post layout simulation shows that the RAMAN encoder can be implemented in a TSMC 65-nm CMOS process, occupying a core area of 0.0187 mm2 per channel. Operating at a clock frequency of 2 MHz and a supply voltage of 1.2 V, the estimated power consumption is 15.1 uW per channel for the proposed DS-CAE1 model. For functional validation, the RAMAN encoder was also deployed on an Efinix Ti60 FPGA, utilizing 37.3k LUTs and 8.6k flip-flops. The compressed neural data from RAMAN is reconstructed offline with SNDR of 22.6 dB and 27.4 dB, along with R2 scores of 0.81 and 0.94, respectively, evaluated on two monkey neural recordings.
Authors: Mithun Goutham, Riccardo DalferroNucci, Stephanie Stockar, Meghna Menon, Sneha Nayak, Harshad Zade, Chetan Patel, Mario Santillo
Abstract: Accurately estimating decision boundaries in black box systems is critical when ensuring safety, quality, and feasibility in real-world applications. However, existing methods iteratively refine boundary estimates by sampling in regions of uncertainty, without providing guarantees on the closeness to the decision boundary and also result in unnecessary exploration that is especially disadvantageous when evaluations are costly. This paper presents $\varepsilon$-Neighborhood Decision-Boundary Governed Estimation (EDGE), a sample efficient and function-agnostic algorithm that leverages the intermediate value theorem to estimate the location of the decision boundary of a black box binary classifier within a user-specified $\varepsilon$-neighborhood. To demonstrate applicability, a case study is presented of an electric grid stability problem with uncertain renewable power injection. Evaluations are conducted on three test functions, where it is seen that the EDGE algorithm demonstrates superior sample efficiency and better boundary approximation than adaptive sampling techniques and grid-based searches.
Authors: Abhishek Pasula, Deepak N. Subramani
Abstract: Climate change affects ocean temperature, salinity and sea level, impacting monsoons and ocean productivity. Future projections by Global Climate Models based on shared socioeconomic pathways from the Coupled Model Intercomparison Project (CMIP) are widely used to understand the effects of climate change. However, CMIP models have significant bias compared to reanalysis in the Bay of Bengal for the time period when both projections and reanalysis are available. For example, there is a 1.5C root mean square error (RMSE) in the sea surface temperature (SST) projections of the climate model CNRM-CM6 compared to the Ocean Reanalysis System (ORAS5). We develop a suite of data-driven deep learning models for bias correction of climate model projections and apply it to correct SST projections of the Bay of Bengal. We propose the use of three different deep neural network architectures: convolutional encoder-decoder UNet, Bidirectional LSTM and ConvLSTM. We also use a baseline linear regression model and the Equi-Distant Cumulative Density Function (EDCDF) bias correction method for comparison and evaluating the impact of the new deep learning models. All bias correction models are trained using pairs of monthly CMIP6 projections and the corresponding month's ORAS5 as input and output. Historical data (1950-2014) and future projection data (2015-2020) of CNRM-CM6 are used for training and validation, including hyperparameter tuning. Testing is performed on future projection data from 2021 to 2024. Detailed analysis of the three deep neural models has been completed. We found that the UNet architecture trained using a climatology-removed CNRM-CM6 projection as input and climatology-removed ORAS5 as output gives the best bias-corrected projections. Our novel deep learning-based method for correcting CNRM-CM6 data has a 15% reduction in RMSE compared EDCDF.
Authors: Zechu Li, Yufeng Jin, Daniel Ordonez Apraez, Claudio Semini, Puze Liu, Georgia Chalvatzaki
Abstract: Humans naturally exhibit bilateral symmetry in their gross manipulation skills, effortlessly mirroring simple actions between left and right hands. Bimanual robots-which also feature bilateral symmetry-should similarly exploit this property to perform tasks with either hand. Unlike humans, who often favor a dominant hand for fine dexterous skills, robots should ideally execute ambidextrous manipulation with equal proficiency. To this end, we introduce SYMDEX (SYMmetric DEXterity), a reinforcement learning framework for ambidextrous bi-manipulation that leverages the robot's inherent bilateral symmetry as an inductive bias. SYMDEX decomposes complex bimanual manipulation tasks into per-hand subtasks and trains dedicated policies for each. By exploiting bilateral symmetry via equivariant neural networks, experience from one arm is inherently leveraged by the opposite arm. We then distill the subtask policies into a global ambidextrous policy that is independent of the hand-task assignment. We evaluate SYMDEX on six challenging simulated manipulation tasks and demonstrate successful real-world deployment on two of them. Our approach strongly outperforms baselines on complex task in which the left and right hands perform different roles. We further demonstrate SYMDEX's scalability by extending it to a four-arm manipulation setup, where our symmetry-aware policies enable effective multi-arm collaboration and coordination. Our results highlight how structural symmetry as inductive bias in policy learning enhances sample efficiency, robustness, and generalization across diverse dexterous manipulation tasks.
Authors: H. T. R\"udisser, G. Nguyen, J. Le Lou\"edec, E. E. Davies, C. M\"ostl
Abstract: Interplanetary coronal mass ejections (ICMEs) are major drivers of space weather disturbances, posing risks to both technological infrastructure and human activities. Automatic detection of ICMEs in solar wind in situ data is essential for early warning systems. While several methods have been proposed to identify these structures in time series data, robust real-time detection remains a significant challenge. In this work, we present ARCANE - the first framework explicitly designed for early ICME detection in streaming solar wind data under realistic operational constraints, enabling event identification without requiring observation of the full structure. Our approach evaluates the strengths and limitations of detection models by comparing a machine learning-based method to a threshold-based baseline. The ResUNet++ model, previously validated on science data, significantly outperforms the baseline, particularly in detecting high-impact events, while retaining solid performance on lower-impact cases. Notably, we find that using real-time solar wind (RTSW) data instead of high-resolution science data leads to only minimal performance degradation. Despite the challenges of operational settings, our detection pipeline achieves an F1-Score of 0.37, with an average detection delay of 24.5% of the event's duration while processing only a minimal portion of the event data. As more data becomes available, the performance increases significantly. These results mark a substantial step forward in automated space weather monitoring and lay the groundwork for enhanced real-time forecasting capabilities.
Authors: Donald Loveland, Mingxuan Ju, Tong Zhao, Neil Shah, Danai Koutra
Abstract: Collaborative filtering (CF) enables large-scale recommendation systems by encoding information from historical user-item interactions into dense ID-embedding tables. However, as embedding tables grow, closed-form solutions become impractical, often necessitating the use of mini-batch gradient descent for training. Despite extensive work on designing loss functions to train CF models, we argue that one core component of these pipelines is heavily overlooked: weight decay. Attaining high-performing models typically requires careful tuning of weight decay, regardless of loss, yet its necessity is not well understood. In this work, we question why weight decay is crucial in CF pipelines and how it impacts training. Through theoretical and empirical analysis, we surprisingly uncover that weight decay's primary function is to encode popularity information into the magnitudes of the embedding vectors. Moreover, we find that tuning weight decay acts as a coarse, non-linear knob to influence preference towards popular or unpopular items. Based on these findings, we propose PRISM (Popularity-awaRe Initialization Strategy for embedding Magnitudes), a straightforward yet effective solution to simplify the training of high-performing CF models. PRISM pre-encodes the popularity information typically learned through weight decay, eliminating its necessity. Our experiments show that PRISM improves performance by up to 4.77% and reduces training times by 38.48%, compared to state-of-the-art training strategies. Additionally, we parameterize PRISM to modulate the initialization strength, offering a cost-effective and meaningful strategy to mitigate popularity bias.
Authors: Junliang Ye, Lei Wang, Md Zakir Hossain
Abstract: Reconstructing natural images from functional magnetic resonance imaging (fMRI) data remains a core challenge in natural decoding due to the mismatch between the richness of visual stimuli and the noisy, low resolution nature of fMRI signals. While recent two-stage models, combining deep variational autoencoders (VAEs) with diffusion models, have advanced this task, they treat all spatial-frequency components of the input equally. This uniform treatment forces the model to extract meaning features and suppress irrelevant noise simultaneously, limiting its effectiveness. We introduce FreqSelect, a lightweight, adaptive module that selectively filters spatial-frequency bands before encoding. By dynamically emphasizing frequencies that are most predictive of brain activity and suppressing those that are uninformative, FreqSelect acts as a content-aware gate between image features and natural data. It integrates seamlessly into standard very deep VAE-diffusion pipelines and requires no additional supervision. Evaluated on the Natural Scenes dataset, FreqSelect consistently improves reconstruction quality across both low- and high-level metrics. Beyond performance gains, the learned frequency-selection patterns offer interpretable insights into how different visual frequencies are represented in the brain. Our method generalizes across subjects and scenes, and holds promise for extension to other neuroimaging modalities, offering a principled approach to enhancing both decoding accuracy and neuroscientific interpretability.
Authors: Nathan Brady, David Tennyson, Thomas Vandermeulen
Abstract: In this paper, we apply both supervised and unsupervised machine learning algorithms to the study of the string landscape and swampland in 6-dimensions. Our data are the (almost) anomaly-free 6-dimensional $\mathcal{N} = (1,0)$ supergravity models, characterised by the Gram matrix of anomaly coefficients. Our work demonstrates the ability of machine learning algorithms to efficiently learn highly complex features of the landscape and swampland. Employing an autoencoder for unsupervised learning, we provide an auto-classification of these models by compressing the Gram matrix data to 2-dimensions. Through compression, similar models cluster together, and we identify prominent features of these clusters. The autoencoder also identifies outlier models which are difficult to reconstruct. One of these outliers proves to be incredibly difficult to combine with other models such that the $\text{tr}R^{4}$ anomaly vanishes, making its presence in the landscape extremely rare. Further, we utilise supervised learning to build two classifiers predicting (1) model consistency under probe string insertion (precision: 0.78, predicting consistency for 214,837 models with reasonable certainty) and (2) inconsistency under anomaly inflow (precision: 0.91, predicting inconsistency for 1,909,359 models). Notably, projecting these predictions onto the autoencoder's 2-dimensional latent layer shows consistent models clustering together, further indicating that the autoencoder has learnt interesting and complex features of the set of models and potentially offers a novel approach to mapping the landscape and swampland of 6-dimensional supergravity theories.
Authors: Kristin Qi, Jiali Cheng, Youxiang Zhu, Hadi Amiri, Xiaohui Liang
Abstract: Detecting Mild Cognitive Impairment from picture descriptions is critical yet challenging, especially in multilingual and multiple picture settings. Prior work has primarily focused on English speakers describing a single picture (e.g., the 'Cookie Theft'). The TAUKDIAL-2024 challenge expands this scope by introducing multilingual speakers and multiple pictures, which presents new challenges in analyzing picture-dependent content. To address these challenges, we propose a framework with three components: (1) enhancing discriminative representation learning via supervised contrastive learning, (2) involving image modality rather than relying solely on speech and text modalities, and (3) applying a Product of Experts (PoE) strategy to mitigate spurious correlations and overfitting. Our framework improves MCI detection performance, achieving a +7.1% increase in Unweighted Average Recall (UAR) (from 68.1% to 75.2%) and a +2.9% increase in F1 score (from 80.6% to 83.5%) compared to the text unimodal baseline. Notably, the contrastive learning component yields greater gains for the text modality compared to speech. These results highlight our framework's effectiveness in multilingual and multi-picture MCI detection.
Authors: Jonathan Richens, David Abel, Alexis Bellot, Tom Everitt
Abstract: Are world models a necessary ingredient for flexible, goal-directed behaviour, or is model-free learning sufficient? We provide a formal answer to this question, showing that any agent capable of generalizing to multi-step goal-directed tasks must have learned a predictive model of its environment. We show that this model can be extracted from the agent's policy, and that increasing the agents performance or the complexity of the goals it can achieve requires learning increasingly accurate world models. This has a number of consequences: from developing safe and general agents, to bounding agent capabilities in complex environments, and providing new algorithms for eliciting world models from agents.
Authors: Shriyank Somvanshi, Md Monzurul Islam, Syed Aaqib Javed, Gaurab Chhetri, Kazi Sifatul Islam, Tausif Islam Chowdhury, Sazzad Bin Bashar Polock, Anandi Dutta, Subasish Das
Abstract: Bio-inspired algorithms, known as metaphor-based algorithms, utilize natural processes such as evolution, swarm behavior, foraging, and plant growth to solve complex, nonlinear, high-dimensional optimization problems. However, a plethora of these algorithms require a more rigorous review before making them applicable to the relevant fields. This survey categorizes these algorithms into eight groups: evolutionary, swarm intelligence, physics-inspired, ecosystem and plant-based, predator-prey, neural-inspired, human-inspired, and hybrid approaches, and reviews their principles, strengths, novelty, and critical limitations. We provide a critique on the novelty issues of many of these algorithms. We illustrate some of the suitable usage of the prominent algorithms in machine learning, engineering design, bioinformatics, and intelligent systems, and highlight recent advances in hybridization, parameter tuning, and adaptive strategies. Finally, we identify open challenges such as scalability, convergence, reliability, and interpretability to suggest directions for future research. This work aims to serve as a resource for both researchers and practitioners interested in understanding the current landscape and future directions of reliable and authentic advancement of bio-inspired algorithms.
Authors: Yuxuan Wang, Ming Yang, Ziluo Ding, Yu Zhang, Weishuai Zeng, Xinrun Xu, Haobin Jiang, Zongqing Lu
Abstract: Achieving general agile whole-body control on humanoid robots remains a major challenge due to diverse motion demands and data conflicts. While existing frameworks excel in training single motion-specific policies, they struggle to generalize across highly varied behaviors due to conflicting control requirements and mismatched data distributions. In this work, we propose BumbleBee (BB), an expert-generalist learning framework that combines motion clustering and sim-to-real adaptation to overcome these challenges. BB first leverages an autoencoder-based clustering method to group behaviorally similar motions using motion features and motion descriptions. Expert policies are then trained within each cluster and refined with real-world data through iterative delta action modeling to bridge the sim-to-real gap. Finally, these experts are distilled into a unified generalist controller that preserves agility and robustness across all motion types. Experiments on two simulations and a real humanoid robot demonstrate that BB achieves state-of-the-art general whole-body control, setting a new benchmark for agile, robust, and generalizable humanoid performance in the real world. The project webpage is available at https://beingbeyond.github.io/BumbleBee/.
Authors: Aline Dobrovsky, Konstantin Schekotihin, Christian Burmer
Abstract: Failure Analysis (FA) is a highly intricate and knowledge-intensive process. The integration of AI components within the computational infrastructure of FA labs has the potential to automate a variety of tasks, including the detection of non-conformities in images, the retrieval of analogous cases from diverse data sources, and the generation of reports from annotated images. However, as the number of deployed AI models increases, the challenge lies in orchestrating these components into cohesive and efficient workflows that seamlessly integrate with the FA process. This paper investigates the design and implementation of an agentic AI system for semiconductor FA using a Large Language Model (LLM)-based Planning Agent (LPA). The LPA integrates LLMs with advanced planning capabilities and external tool utilization, allowing autonomous processing of complex queries, retrieval of relevant data from external systems, and generation of human-readable responses. The evaluation results demonstrate the agent's operational effectiveness and reliability in supporting FA tasks.
Authors: Fabien Furfaro
Abstract: Transformer-based large language models (LLMs) have achieved strong performance across many natural language processing tasks. Nonetheless, their quadratic computational and memory requirements, particularly in self-attention layers, pose challenges for efficient inference on long contexts and for deployment in resource-limited environments. We present TPTT (Transforming Pretrained Transformers into Titans), a framework designed to augment pretrained Transformers with linearized attention (LiZA) and internal memory gating via Memory as Gate (MaG), applied without full retraining. TPTT supports parameter-efficient fine-tuning (LoRA) and integrates with standard toolkits such as Hugging Face Transformers. We evaluated TPTT on several pretrained models, including Llama-1B, OlMoE-1B-7B, Qwen2.5-1.5B, Gemma3-270m, OpenELM-1.3B, and Mistral-7B, in order to assess applicability across architectures of different scales.Experiments on models with approximately 1 billion parameters, evaluated primarily on the MMLU benchmark, suggest potential improvements in both efficiency and accuracy compared to baseline models. For example, Titans-Llama-1B exhibited up to a 20\% relative increase in Exact Match scores in one-shot evaluation. An additional finding is that it is possible to convert a quadratic-attention model into a purely linear-attention model using the DeltaProduct mechanism. All training runs were carried out with modest computational resources.These preliminary findings indicate that TPTT may help adapt pretrained LLMs for long-context tasks with limited overhead. Further studies on larger models and a broader set of benchmarks will be necessary to evaluate the generality and robustness of the framework. Code is available at https://github.com/fabienfrfr/tptt . Python package at https://pypi.org/project/tptt/ .
URLs: https://github.com/fabienfrfr/tptt, https://pypi.org/project/tptt/
Authors: Saad Qadeer, Panos Stinis, Hui. Wan
Abstract: A long-standing obstacle in the use of machine-learnt surrogates with larger PDE systems is the onset of instabilities when solved numerically. Efforts towards ameliorating these have mostly concentrated on improving the accuracy of the surrogates or imbuing them with additional structure, and have garnered limited success. In this article, we study a prototype problem and draw insights that can help with more complex systems. In particular, we focus on a viscous Burgers'-ML system and, after identifying the cause of the instabilities, prescribe strategies to stabilize the coupled system. To improve the accuracy of the stabilized system, we next explore methods based on the Mori--Zwanzig formalism.
Authors: Xingting Yao, Qinghao Hu, Fei Zhou, Tielong Liu, Gang Li, Peisong Wang, Jian Cheng
Abstract: Multi-bit spiking neural networks (SNNs) have recently become a heated research spot, pursuing energy-efficient and high-accurate AI. However, with more bits involved, the associated memory and computation demands escalate to the point where the performance improvements become disproportionate. Based on the insight that different layers demonstrate different importance and extra bits could be wasted and interfering, this paper presents an adaptive bit allocation strategy for direct-trained SNNs, achieving fine-grained layer-wise allocation of memory and computation resources. Thus, SNN's efficiency and accuracy can be improved. Specifically, we parametrize the temporal lengths and the bit widths of weights and spikes, and make them learnable and controllable through gradients. To address the challenges caused by changeable bit widths and temporal lengths, we propose the refined spiking neuron, which can handle different temporal lengths, enable the derivation of gradients for temporal lengths, and suit spike quantization better. In addition, we theoretically formulate the step-size mismatch problem of learnable bit widths, which may incur severe quantization errors to SNN, and accordingly propose the step-size renewal mechanism to alleviate this issue. Experiments on various datasets, including the static CIFAR and ImageNet datasets and the dynamic CIFAR-DVS, DVS-GESTURE, and SHD datasets, demonstrate that our methods can reduce the overall memory and computation cost while achieving higher accuracy. Particularly, our SEWResNet-34 can achieve a 2.69% accuracy gain and 4.16x lower bit budgets over the advanced baseline work on ImageNet. This work will be open-sourced.
Authors: Asad Aali, Vasiliki Bikia, Maya Varma, Nicole Chiou, Sophie Ostmeier, Arnav Singhvi, Magdalini Paschali, Ashwin Kumar, Andrew Johnston, Karimar Amador-Martinez, Eduardo Juan Perez Guerrero, Paola Naovi Cruz Rivera, Sergios Gatidis, Christian Bluethgen, Eduardo Pontes Reis, Eddy D. Zandee van Rilland, Poonam Laxmappa Hosamani, Kevin R Keet, Minjoung Go, Evelyn Ling, David B. Larson, Curtis Langlotz, Roxana Daneshjou, Jason Hom, Sanmi Koyejo, Emily Alsentzer, Akshay S. Chaudhari
Abstract: With the growing use of language models (LMs) in clinical environments, there is an immediate need to evaluate the accuracy and safety of LM-generated medical text. Currently, such evaluation relies solely on manual physician review. However, detecting errors in LM-generated text is challenging because 1) manual review is costly and 2) expert-composed reference outputs are often unavailable in real-world settings. While the "LM-as-judge" paradigm (a LM evaluating another LM) offers scalable evaluation, even frontier LMs can miss subtle but clinically significant errors. To address these challenges, we propose MedVAL, a self-supervised framework that leverages synthetic data to train evaluator LMs to assess whether LM-generated medical outputs are factually consistent with inputs, without requiring physician labels or reference outputs. To evaluate LM performance, we introduce MedVAL-Bench, a dataset containing 840 outputs annotated by physicians, following a physician-defined taxonomy of risk levels and error categories. Across 6 diverse medical tasks and 10 state-of-the-art LMs spanning open-source, proprietary, and medically adapted models, MedVAL fine-tuning significantly improves (p < 0.001) alignment with physicians on both seen and unseen tasks, increasing average F1 scores from 66% to 83%, with per-sample safety classification scores up to 86%. MedVAL improves the performance of even the best-performing proprietary LM (GPT-4o) by 8%. To support a scalable, risk-aware pathway towards clinical integration, we open-source the 1) codebase (https://github.com/StanfordMIMI/MedVAL), 2) MedVAL-Bench (https://huggingface.co/datasets/stanfordmimi/MedVAL-Bench), and 3) MedVAL-4B (https://huggingface.co/stanfordmimi/MedVAL-4B), the best-performing open-source LM. Our research provides the first evidence of LMs approaching expert-level validation ability for medical text.
URLs: https://github.com/StanfordMIMI/MedVAL),, https://huggingface.co/datasets/stanfordmimi/MedVAL-Bench),, https://huggingface.co/stanfordmimi/MedVAL-4B),
Authors: Jan Carreras Boada, Rao Muhammad Umer, Carsten Marr
Abstract: Biomedical datasets are often constrained by stringent privacy requirements and frequently suffer from severe class imbalance. These two aspects hinder the development of accurate machine learning models. While generative AI offers a promising solution, producing synthetic images of sufficient quality for training robust classifiers remains challenging. This work addresses the classification of individual white blood cells, a critical task in diagnosing hematological malignancies such as acute myeloid leukemia (AML). We introduce CytoDiff, a stable diffusion model fine-tuned with LoRA weights and guided by few-shot samples that generates high-fidelity synthetic white blood cell images. Our approach demonstrates substantial improvements in classifier performance when training data is limited. Using a small, highly imbalanced real dataset, the addition of 5,000 synthetic images per class improved ResNet classifier accuracy from 27\% to 78\% (+51\%). Similarly, CLIP-based classification accuracy increased from 62\% to 77\% (+15\%). These results establish synthetic image generation as a valuable tool for biomedical machine learning, enhancing data coverage and facilitating secure data sharing while preserving patient privacy. Paper code is publicly available at https://github.com/JanCarreras24/CytoDiff.
Authors: Weihua Du, Pranjal Aggarwal, Sean Welleck, Yiming Yang
Abstract: Current long chain-of-thought (long-CoT) models excel at mathematical reasoning but rely on slow and error-prone natural language traces. Tool-augmented agents address arithmetic via code execution, but often falter on complex logical tasks. We introduce a fine-tuning framework, DualDistill, that distills complementary reasoning strategies from multiple teachers into a unified student model. Using this approach, we train Agentic-R1, which dynamically selects the optimal strategy for each query, invoking tools for arithmetic and algorithmic problems, and using text-based reasoning for abstract ones. Our method improves accuracy across a range of tasks, including both computation-intensive and standard benchmarks, demonstrating the effectiveness of multi-strategy distillation in achieving robust and efficient reasoning. Our project is available at https://github.com/StigLidu/DualDistill
Authors: Ronak Mehta, Zaid Harchaoui
Abstract: A modern paradigm for generalization in machine learning and AI consists of pre-training a task-agnostic foundation model, generally obtained using self-supervised and multimodal contrastive learning. The resulting representations can be used for prediction on a downstream task for which no labeled data is available. We present a theoretical framework to better understand this approach, called zero-shot prediction. We identify the target quantities that zero-shot prediction aims to learn, or learns in passing, and the key conditional independence relationships that enable its generalization ability.
Authors: Seokeon Choi, Sunghyun Park, Hyoungwoo Park, Jeongho Kim, Sungrack Yun
Abstract: Memory-efficient personalization is critical for adapting text-to-image diffusion models while preserving user privacy and operating within the limited computational resources of edge devices. To this end, we propose a selective optimization framework that adaptively chooses between backpropagation on low-resolution images (BP-low) and zeroth-order optimization on high-resolution images (ZO-high), guided by the characteristics of the diffusion process. As observed in our experiments, BP-low efficiently adapts the model to target-specific features, but suffers from structural distortions due to resolution mismatch. Conversely, ZO-high refines high-resolution details with minimal memory overhead but faces slow convergence when applied without prior adaptation. By complementing both methods, our framework leverages BP-low for effective personalization while using ZO-high to maintain structural consistency, achieving memory-efficient and high-quality fine-tuning. To maximize the efficacy of both BP-low and ZO-high, we introduce a timestep-aware probabilistic function that dynamically selects the appropriate optimization strategy based on diffusion timesteps. This function mitigates the overfitting from BP-low at high timesteps, where structural information is critical, while ensuring ZO-high is applied more effectively as training progresses. Experimental results demonstrate that our method achieves competitive performance while significantly reducing memory consumption, enabling scalable, high-quality on-device personalization without increasing inference latency.
Authors: Ammar Ahmed, Ali Shariq Imran, Zenun Kastrati, Sher Muhammad Daudpota
Abstract: Wrist pathologies are frequently observed, particularly among children who constitute the majority of fracture cases. Computer vision presents a promising avenue, contingent upon the availability of extensive datasets, a notable challenge in medical imaging. Therefore, reliance solely on one modality, such as images, proves inadequate, especially in an era of diverse and plentiful data types. This study addresses the problem using a multifaceted approach: framing it as a fine-grained recognition task, fusing patient metadata with X-rays, and leveraging weights from a separate fine-grained dataset rather than from a coarse-grained dataset like ImageNet. Unlike prior work, this is the first application of metadata integration for wrist pathology recognition. Our results show that combining fine-grained transformer approach, fine-grained pre-training, and metadata integration improves diagnostic accuracy by 2% on small custom curated dataset and over 10% on a larger fracture dataset.
Authors: Chen Su, Zhengzhou Cai, Yuanhe Tian, Zhuochao Chang, Zihong Zheng, Yan Song
Abstract: Diffusion models, initially developed for image synthesis, demonstrate remarkable generative capabilities. Recently, their application has expanded to time series forecasting (TSF), yielding promising results. Existing surveys on time series primarily focus on the application of diffusion models to time series tasks or merely provide model-by-model introductions of diffusion-based TSF models, without establishing a systematic taxonomy for existing diffusion-based TSF models. In this survey, we firstly introduce several standard diffusion models and their prevalent variants, explaining their adaptation to TSF tasks. Then, we provide a comprehensive review of diffusion models for TSF, paying special attention to the sources of conditional information and the mechanisms for integrating this conditioning within the models. In analyzing existing approaches using diffusion models for TSF, we provide a systematic categorization and a comprehensive summary of them in this survey. Furthermore, we examine several foundational diffusion models applied to TSF, alongside commonly used datasets and evaluation metrics. Finally, we discuss the progress and limitations of these approaches, as well as potential future research directions for diffusion-based TSF. Overall, this survey offers a comprehensive overview of recent progress and future prospects for diffusion models in TSF, serving as a valuable reference for researchers in the field.
Authors: Shahriar Golchin, Yanfei Chen, Rujun Han, Manan Gandhi, Tianli Yu, Swaroop Mishra, Mihai Surdeanu, Rishabh Agarwal, Chen-Yu Lee, Tomas Pfister
Abstract: Long-context large language models (LLMs) are able to process inputs containing up to several million tokens. In the scope of in-context learning (ICL), this translates into using hundreds/thousands of demonstrations in the input prompt, enabling many-shot ICL. In practice, a fixed set of demonstrations is often selected at random in many-shot settings due to (1) high inference costs, (2) the benefits of caching and reusing computations, and (3) the similar performance offered by this strategy compared to others when scaled. In this work, we propose two straightforward strategies for demonstration selection in many-shot ICL that improve performance with minimal computational overhead. Our first method combines a small number of demonstrations, selected based on their similarity to each test sample, with a disproportionately larger set of random demonstrations that are cached. The second strategy improves the first by replacing random demonstrations with those selected using centroids derived from test sample representations via k-means clustering. Our experiments with Gemini Pro and Flash across several datasets indicate that our strategies consistently outperform random selection and surpass or match the most performant selection approach while supporting caching and reducing inference cost by up to an order of magnitude. We also show that adjusting the proportion of demonstrations selected based on different criteria can balance performance and inference cost in many-shot ICL.
Authors: Takashi Hayakawa, Satoshi Asai
Abstract: Previous studies have shown that hazard ratios between treatment groups estimated with the Cox model are uninterpretable because the indefinite baseline hazard of the model fails to identify temporal change in the risk set composition due to treatment assignment and unobserved factors among multiple, contradictory scenarios. To alleviate this problem, especially in studies based on observational data with uncontrolled dynamic treatment and real-time measurement of many covariates, we propose abandoning the baseline hazard and using machine learning to explicitly model the change in the risk set with or without latent variables. For this framework, we clarify the context in which hazard ratios can be causally interpreted, and then develop a method based on Neyman orthogonality to compute debiased maximum-likelihood estimators of hazard ratios. Numerical simulations confirm that the proposed method identifies the ground truth with minimal bias. These results lay the foundation for developing a useful, alternative method for causal inference with uncontrolled, observational data in modern epidemiology.
Authors: Runjin Chen, Andy Arditi, Henry Sleight, Owain Evans, Jack Lindsey
Abstract: Large language models interact with users through a simulated 'Assistant' persona. While the Assistant is typically trained to be helpful, harmless, and honest, it sometimes deviates from these ideals. In this paper, we identify directions in the model's activation space-persona vectors-underlying several traits, such as evil, sycophancy, and propensity to hallucinate. We confirm that these vectors can be used to monitor fluctuations in the Assistant's personality at deployment time. We then apply persona vectors to predict and control personality shifts that occur during training. We find that both intended and unintended personality changes after finetuning are strongly correlated with shifts along the relevant persona vectors. These shifts can be mitigated through post-hoc intervention, or avoided in the first place with a new preventative steering method. Moreover, persona vectors can be used to flag training data that will produce undesirable personality changes, both at the dataset level and the individual sample level. Our method for extracting persona vectors is automated and can be applied to any personality trait of interest, given only a natural-language description.
Authors: Meixuan Wang, Yinyu Ye, Zijie Zhou
Abstract: We study the problem of serving LLM (Large Language Model) requests where each request has heterogeneous prefill and decode lengths. In LLM serving, the prefill length corresponds to the input prompt length, which determines the initial memory usage in the KV cache. The decode length refers to the number of output tokens generated sequentially, with each additional token increasing the KV cache memory usage by one unit. Given a set of n requests, our goal is to schedule and process them to minimize the total completion time. We show that this problem is NP-hard due to the interplay of batching, placement constraints, precedence relationships, and linearly increasing memory usage. We then analyze commonly used scheduling strategies in practice, such as First-Come-First-Serve (FCFS) and Shortest-First (SF), and prove that their competitive ratios scale up sublinearly with the memory limit-a significant drawback in real-world settings where memory demand is large. To address this, we propose a novel algorithm based on a new selection metric that efficiently forms batches over time. We prove that this algorithm achieves a constant competitive ratio. Finally, we develop and evaluate a few algorithm variants inspired by this approach, including dynamic programming variants, local search methods, and an LP-based scheduler, demonstrating through comprehensive simulations that they outperform standard baselines while maintaining computational efficiency.
Authors: Ke Ma, Jun Long, Hongxiao Fei, Liujie Hua, Yiran Qian, Zhen Dai, Yueyi Luo
Abstract: Pre-trained Vision-Language Models (VLMs) struggle with Zero-Shot Anomaly Detection (ZSAD) due to a critical adaptation gap: they lack the local inductive biases required for dense prediction and employ inflexible feature fusion paradigms. We address these limitations through an Architectural Co-Design framework that jointly refines feature representation and cross-modal fusion. Our method proposes a parameter-efficient Convolutional Low-Rank Adaptation (Conv-LoRA) adapter to inject local inductive biases for fine-grained representation, and introduces a Dynamic Fusion Gateway (DFG) that leverages visual context to adaptively modulate text prompts, enabling a powerful bidirectional fusion. Extensive experiments on diverse industrial and medical benchmarks demonstrate superior accuracy and robustness, validating that this synergistic co-design is critical for robustly adapting foundation models to dense perception tasks.
Authors: Adrian Baule
Abstract: Score-based diffusion models generate samples from a complex underlying data distribution by time-reversal of a diffusion process and represent the state-of-the-art in many generative AI applications. Here, I show how a generative diffusion model can be implemented based on an underlying active particle process with finite correlation time. Time reversal is achieved by imposing an effective time-dependent potential on the position coordinate, which can be readily implemented in simulations and experiments to generate new synthetic data samples driven by active fluctuations. The effective potential is valid to first order in the persistence time and leads to a force field that is fully determined by the standard score function and its derivatives up to 2nd order. Numerical experiments for artificial data distributions confirm the validity of the effective potential, which opens up new avenues to exploit fluctuations in active and living systems for generative AI purposes.
Authors: Chenrui Liu, Falong Tan, Chuanlong Xie, Yicheng Zeng, Lixing Zhu
Abstract: This paper investigates the expected excess risk of in-context learning (ICL) for multiclass classification. We formalize each task as a sequence of labeled examples followed by a query input; a pretrained model then estimates the query's conditional class probabilities. The expected excess risk is defined as the average truncated Kullback-Leibler (KL) divergence between the predicted and true conditional class distributions over a specified family of tasks. We establish a new oracle inequality for this risk, based on KL divergence, in multiclass classification. This yields tight upper and lower bounds for transformer-based models, showing that the ICL estimator achieves the minimax optimal rate (up to logarithmic factors) for conditional probability estimation. From a technical standpoint, our results introduce a novel method for controlling generalization error via uniform empirical entropy. We further demonstrate that multilayer perceptrons (MLPs) can also perform ICL and attain the same optimal rate (up to logarithmic factors) under suitable assumptions, suggesting that effective ICL need not be exclusive to transformer architectures.
Authors: Kennon Stewart
Abstract: Machine unlearning work assumes a static, i.i.d training environment that doesn't truly exist. Modern ML pipelines need to learn, unlearn, and predict continuously on production streams of data. We translate batch unlearning to the online setting using notions of regret, sample complexity, and deletion capacity. We tighten regret bounds to a logarithmic $\mathcal{O}(\ln{T})$, a first for a certified unlearning algorithm. When fitted with an online variant of L-BFGS optimization, the algorithm achieves state of the art regret with a constant memory footprint. Such changes extend the lifespan of an ML model before expensive retraining, making for a more efficient unlearning process.
Authors: Zhangyu You, Jiahao Ma, Hongzong Li, Ye-Fan Hu, Jian-Dong Huang
Abstract: Accurate prediction of antibody-binding sites (epitopes) on antigens is crucial for vaccine design, immunodiagnostics, therapeutic antibody development, antibody engineering, research into autoimmune and allergic diseases, and for advancing our understanding of immune responses. Despite in silico methods that have been proposed to predict both linear (continuous) and conformational (discontinuous) epitopes, they consistently underperform in predicting conformational epitopes. In this work, we propose a conformer-based model trained on antigen sequences derived from 1,080 antigen-antibody complexes, leveraging convolutional neural networks (CNNs) to extract local features and Transformers to capture long-range dependencies within antigen sequences. Ablation studies demonstrate that CNN enhances the prediction of linear epitopes, and the Transformer module improves the prediction of conformational epitopes. Experimental results show that our model outperforms existing baselines in terms of PCC, ROC-AUC, PR-AUC, and F1 scores on both linear and conformational epitopes.
Authors: Zidong Cui, Pan Zhang, Ying Tang
Abstract: The flow matching has rapidly become a dominant paradigm in classical generative modeling, offering an efficient way to interpolate between two complex distributions. We extend this idea to the quantum realm and introduce the Quantum Flow Matching (QFM-a fully quantum-circuit realization that offers efficient interpolation between two density matrices. QFM offers systematic preparation of density matrices and generation of samples for accurately estimating observables, and can be realized on quantum computers without the need for costly circuit redesigns. We validate its versatility on a set of applications: (i) generating target states with prescribed magnetization and entanglement entropy, (ii) estimating nonequilibrium free-energy differences to test the quantum Jarzynski equality, and (iii) expediting the study on superdiffusion. These results position QFM as a unifying and promising framework for generative modeling across quantum systems.
Authors: NVIDIA, :, Aarti Basant, Abhijit Khairnar, Abhijit Paithankar, Abhinav Khattar, Adithya Renduchintala, Aditya Malte, Akhiad Bercovich, Akshay Hazare, Alejandra Rico, Aleksander Ficek, Alex Kondratenko, Alex Shaposhnikov, Alexander Bukharin, Ali Taghibakhshi, Amelia Barton, Ameya Sunil Mahabaleshwarkar, Amy Shen, Andrew Tao, Ann Guan, Anna Shors, Anubhav Mandarwal, Arham Mehta, Arun Venkatesan, Ashton Sharabiani, Ashwath Aithal, Ashwin Poojary, Ayush Dattagupta, Balaram Buddharaju, Banghua Zhu, Barnaby Simkin, Bilal Kartal, Bita Darvish Rouhani, Bobby Chen, Boris Ginsburg, Brandon Norick, Brian Yu, Bryan Catanzaro, Charles Wang, Charlie Truong, Chetan Mungekar, Chintan Patel, Chris Alexiuk, Christian Munley, Christopher Parisien, Dan Su, Daniel Afrimi, Daniel Korzekwa, Daniel Rohrer, Daria Gitman, David Mosallanezhad, Deepak Narayanan, Dima Rekesh, Dina Yared, Dmytro Pykhtar, Dong Ahn, Duncan Riach, Eileen Long, Elliott Ning, Eric Chung, Erick Galinkin, Evelina Bakhturina, Gargi Prasad, Gerald Shen, Haifeng Qian, Haim Elisha, Harsh Sharma, Hayley Ross, Helen Ngo, Herman Sahota, Hexin Wang, Hoo Chang Shin, Hua Huang, Iain Cunningham, Igor Gitman, Ivan Moshkov, Jaehun Jung, Jan Kautz, Jane Polak Scowcroft, Jared Casper, Jian Zhang, Jiaqi Zeng, Jimmy Zhang, Jinze Xue, Jocelyn Huang, Joey Conway, John Kamalu, Jonathan Cohen, Joseph Jennings, Julien Veron Vialard, Junkeun Yi, Jupinder Parmar, Kari Briski, Katherine Cheung, Katherine Luna, Keith Wyss, Keshav Santhanam, Kezhi Kong, Krzysztof Pawelec, Kumar Anik, Kunlun Li, Kushan Ahmadian, Lawrence McAfee, Laya Sleiman, Leon Derczynski, Luis Vega, Maer Rodrigues de Melo, Makesh Narsimhan Sreedhar, Marcin Chochowski, Mark Cai, Markus Kliegl, Marta Stepniewska-Dziubinska, Matvei Novikov, Mehrzad Samadi, Meredith Price, Meriem Boubdir, Michael Boone, Michael Evans, Michal Bien, Michal Zawalski, Miguel Martinez, Mike Chrzanowski, Mohammad Shoeybi, Mostofa Patwary, Namit Dhameja, Nave Assaf, Negar Habibi, Nidhi Bhatia, Nikki Pope, Nima Tajbakhsh, Nirmal Kumar Juluru, Oleg Rybakov, Oleksii Hrinchuk, Oleksii Kuchaiev, Oluwatobi Olabiyi, Pablo Ribalta, Padmavathy Subramanian, Parth Chadha, Pavlo Molchanov, Peter Dykas, Peter Jin, Piotr Bialecki, Piotr Januszewski, Pradeep Thalasta, Prashant Gaikwad, Prasoon Varshney, Pritam Gundecha, Przemek Tredak, Rabeeh Karimi Mahabadi, Rajen Patel, Ran El-Yaniv, Ranjit Rajan, Ria Cheruvu, Rima Shahbazyan, Ritika Borkar, Ritu Gala, Roger Waleffe, Ruoxi Zhang, Russell J. Hewett, Ryan Prenger, Sahil Jain, Samuel Kriman, Sanjeev Satheesh, Saori Kaji, Sarah Yurick, Saurav Muralidharan, Sean Narenthiran, Seonmyeong Bak, Sepehr Sameni, Seungju Han, Shanmugam Ramasamy, Shaona Ghosh, Sharath Turuvekere Sreenivas, Shelby Thomas, Shizhe Diao, Shreya Gopal, Shrimai Prabhumoye, Shubham Toshniwal, Shuoyang Ding, Siddharth Singh, Siddhartha Jain, Somshubra Majumdar, Soumye Singhal, Stefania Alborghetti, Syeda Nahida Akter, Terry Kong, Tim Moon, Tomasz Hliwiak, Tomer Asida, Tony Wang, Tugrul Konuk, Twinkle Vashishth, Tyler Poon, Udi Karpas, Vahid Noroozi, Venkat Srinivasan, Vijay Korthikanti, Vikram Fugro, Vineeth Kalluru, Vitaly Kurin, Vitaly Lavrukhin, Wasi Uddin Ahmad, Wei Du, Wonmin Byeon, Ximing Lu, Xin Dong, Yashaswi Karnati, Yejin Choi, Yian Zhang, Ying Lin, Yonggan Fu, Yoshi Suhara, Zhen Dong, Zhiyu Li, Zhongbo Zhu, Zijia Chen
Abstract: We introduce Nemotron-Nano-9B-v2, a hybrid Mamba-Transformer language model designed to increase throughput for reasoning workloads while achieving state-of-the-art accuracy compared to similarly-sized models. Nemotron-Nano-9B-v2 builds on the Nemotron-H architecture, in which the majority of the self-attention layers in the common Transformer architecture are replaced with Mamba-2 layers, to achieve improved inference speed when generating the long thinking traces needed for reasoning. We create Nemotron-Nano-9B-v2 by first pre-training a 12-billion-parameter model (Nemotron-Nano-12B-v2-Base) on 20 trillion tokens using an FP8 training recipe. After aligning Nemotron-Nano-12B-v2-Base, we employ the Minitron strategy to compress and distill the model with the goal of enabling inference on up to 128k tokens on a single NVIDIA A10G GPU (22GiB of memory, bfloat16 precision). Compared to existing similarly-sized models (e.g., Qwen3-8B), we show that Nemotron-Nano-9B-v2 achieves on-par or better accuracy on reasoning benchmarks while achieving up to 6x higher inference throughput in reasoning settings like 8k input and 16k output tokens. We are releasing Nemotron-Nano-9B-v2, Nemotron-Nano12B-v2-Base, and Nemotron-Nano-9B-v2-Base checkpoints along with the majority of our pre- and post-training datasets on Hugging Face.
Authors: Huanxuan Liao, Yixing Xu, Shizhu He, Guanchen Li, Xuanwu Yin, Dong Li, Emad Barsoum, Jun Zhao, Kang Liu
Abstract: Long-context inference in large language models (LLMs) is increasingly constrained by the KV cache bottleneck: memory usage grows linearly with sequence length, while attention computation scales quadratically. Existing approaches address this issue by compressing the KV cache along the temporal axis through strategies such as token eviction or merging to reduce memory and computational overhead. However, these methods often neglect fine-grained importance variations across feature dimensions (i.e., the channel axis), thereby limiting their ability to effectively balance efficiency and model accuracy. In reality, we observe that channel saliency varies dramatically across both queries and positions: certain feature channels carry near-zero information for a given query, while others spike in relevance. To address this oversight, we propose SPARK, a training-free plug-and-play method that applies unstructured sparsity by pruning KV at the channel level, while dynamically restoring the pruned entries during attention score computation. Notably, our approach is orthogonal to existing KV compression and quantization techniques, making it compatible for integration with them to achieve further acceleration. By reducing channel-level redundancy, SPARK enables processing of longer sequences within the same memory budget. For sequences of equal length, SPARK not only preserves or improves model accuracy but also reduces KV cache storage by over 30% compared to eviction-based methods. Furthermore, even with an aggressive pruning ratio of 80%, SPARK maintains performance with less degradation than 5% compared to the baseline eviction method, demonstrating its robustness and effectiveness. Our code will be available at https://github.com/Xnhyacinth/SparK.
Authors: Yi Xu, Yesheng Zhang, Jiajia Liu, Jingdong Chen
Abstract: Multimodal large language models (MLLMs) have emerged as pivotal tools in enhancing human-computer interaction. In this paper we focus on the application of MLLMs in the field of graphical user interface (GUI) elements structuring, where they assist in processing user instructions based on screen contents. Despite the promise of MLLMs, their performance in precisely generating UI element coordinates, a critical aspect of GUI understanding, is hindered by the nature of next-token prediction training. This challenge arises from the semantic void surrounding numerical UI coordinates in language representation spaces, necessitating a substantial and diverse dataset to bolster visual module capabilities. To address these limitations, we introduce an IoU-Augmented Maximum Likelihood (IAML) training paradigm. Specifically, our approach involves a novel pipeline for IoU-based coordinate sampling to augment the training data, which considers the proximity to ground truth coordinates. This data augmentation strategy is then employed to fine-tune MLLMs under the IAML paradigm, which is designed to mitigate the exposure bias problem inherent in traditional maximum likelihood estimation. Through extensive experiments, we demonstrate the superior performance of our IAML training approach over traditional training paradigms.
Authors: Maximilian Burzer, Tobias King, Till Riedel, Michael Beigl, Tobias R\"oddiger
Abstract: The lack of standardization across Wearable Human Activity Recognition (WHAR) datasets limits reproducibility, comparability, and research efficiency. We introduce WHAR datasets, an open-source library designed to simplify WHAR data handling through a standardized data format and a configuration-driven design, enabling reproducible and computationally efficient workflows with minimal manual intervention. The library currently supports 9 widely-used datasets, integrates with PyTorch and TensorFlow, and is easily extensible to new datasets. To demonstrate its utility, we trained two state-of-the-art models, TinyHar and MLP-HAR, on the included datasets, approximately reproducing published results and validating the library's effectiveness for experimentation and benchmarking. Additionally, we evaluated preprocessing performance and observed speedups of up to 3.8x using multiprocessing. We hope this library contributes to more efficient, reproducible, and comparable WHAR research.
Authors: Nikita Stroev, Natalia G. Berloff
Abstract: Photonic computing promises energy-efficient acceleration for optimization and learning, yet discrete combinatorial search and continuous function approximation have largely required distinct devices and control stacks. Here we unify k-local Ising optimization and optical Kolmogorov-Arnold network (KAN) learning on a single photonic platform, establishing a critical convergence point in optical computing. We introduce an SLM-centric primitive that realizes, in one stroke, all-optical k-local Ising interactions and fully optical KAN layers. The key idea is to convert the structural nonlinearity of a nominally linear scatterer into a per-window computational resource by adding a single relay pass through the same spatial light modulator: a folded 4f relay re-images the first Fourier plane onto the SLM so that each selected clique or channel occupies a disjoint window with its own second pass phase patch. Propagation remains linear in the optical field, yet the measured intensity in each window becomes a freely programmable polynomial of the clique sum or projection amplitude. This yields native, per clique k-local couplings without nonlinear media and, in parallel, the many independent univariate nonlinearities required by KAN layers, all trainable with in-situ physical gradients using two frames (forward and adjoint). We outline implementations on spatial photonic Ising machines, injection-locked vertical cavity surface emitting laser (VCSEL) arrays, and Microsoft analog optical computers; in all cases the hardware change is one extra lens and a fold (or an on-chip 4f loop), enabling a minimal overhead, massively parallel route to high-order Ising optimization and trainable, all-optical KAN processing on one platform.
Authors: Danny Wang, Ruihong Qiu, Guangdong Bai, Zi Huang
Abstract: Out-of-distribution (OOD) detection remains challenging in text-rich networks, where textual features intertwine with topological structures. Existing methods primarily address label shifts or rudimentary domain-based splits, overlooking the intricate textual-structural diversity. For example, in social networks, where users represent nodes with textual features (name, bio) while edges indicate friendship status, OOD may stem from the distinct language patterns between bot and normal users. To address this gap, we introduce the TextTopoOOD framework for evaluating detection across diverse OOD scenarios: (1) attribute-level shifts via text augmentations and embedding perturbations; (2) structural shifts through edge rewiring and semantic connections; (3) thematically-guided label shifts; and (4) domain-based divisions. Furthermore, we propose TNT-OOD to model the complex interplay between Text aNd Topology using: 1) a novel cross-attention module to fuse local structure into node-level text representations, and 2) a HyperNetwork to generate node-specific transformation parameters. This aligns topological and semantic features of ID nodes, enhancing ID/OOD distinction across structural and textual shifts. Experiments on 11 datasets across four OOD scenarios demonstrate the nuanced challenge of TextTopoOOD for evaluating OOD detection in text-rich networks.
Authors: Jakub Micha\'nk\'ow
Abstract: This study evaluates deep neural networks for forecasting probability distributions of financial returns. 1D convolutional neural networks (CNN) and Long Short-Term Memory (LSTM) architectures are used to forecast parameters of three probability distributions: Normal, Student's t, and skewed Student's t. Using custom negative log-likelihood loss functions, distribution parameters are optimized directly. The models are tested on six major equity indices (S\&P 500, BOVESPA, DAX, WIG, Nikkei 225, and KOSPI) using probabilistic evaluation metrics including Log Predictive Score (LPS), Continuous Ranked Probability Score (CRPS), and Probability Integral Transform (PIT). Results show that deep learning models provide accurate distributional forecasts and perform competitively with classical GARCH models for Value-at-Risk estimation. The LSTM with skewed Student's t distribution performs best across multiple evaluation criteria, capturing both heavy tails and asymmetry in financial returns. This work shows that deep neural networks are viable alternatives to traditional econometric models for financial risk assessment and portfolio management.
Authors: Joshua R. Jandrell, Mitchell A. Cox
Abstract: Predicting the effects of physical perturbations on optical channels is critical for advanced photonic devices, but existing modelling techniques are often computationally intensive or require exhaustive characterisation. We present a novel data-efficient machine learning framework that learns the perturbation-dependent transmission matrix of a multimode fibre. To overcome the challenge of modelling the resulting highly oscillatory functions, we encode the perturbation into a Fourier Feature basis, enabling a compact multi-layer perceptron to learn the mapping with high fidelity. On experimental data from a compressed fibre, our model predicts the output field with a 0.995 complex correlation to the ground truth, improving accuracy by an order of magnitude over standard networks while using 85\% fewer parameters. This approach provides a general tool for modelling complex optical systems from sparse measurements.
Authors: Xinhao Huang, Zhibo Ren, Yipeng Yu, Ying Zhou, Zulong Chen, Zeyi Wen
Abstract: In long structured document retrieval, existing methods typically fine-tune pre-trained language models (PLMs) using contrastive learning on datasets lacking explicit structural information. This practice suffers from two critical issues: 1) current methods fail to leverage structural features and element-level semantics effectively, and 2) the lack of datasets containing structural metadata. To bridge these gaps, we propose \our, a novel contrastive learning framework. It leverages structure-aware learning to preserve semantic hierarchies and masked element alignment for fine-grained semantic discrimination. Furthermore, we release \dataset, a long structured document retrieval dataset with rich structural annotations. Extensive experiments on both released and industrial datasets across various modern PLMs, along with online A/B testing, demonstrate consistent performance improvements, boosting NDCG@10 from 73.96\% to 77.84\% on BGE-M3. The resources are available at https://github.com/xinhaoH/SEAL.
Authors: Qi Yang, Bolin Ni, Shiming Xiang, Han Hu, Houwen Peng, Jie Jiang
Abstract: Multimodal Large Language Models (MLLMs) equipped with step-by-step thinking capabilities have demonstrated remarkable performance on complex reasoning problems. However, this thinking process is redundant for simple problems solvable without complex reasoning. To address this inefficiency, we propose R-4B, an auto-thinking MLLM, which can adaptively decide when to think based on problem complexity. The central idea of R-4B is to empower the model with both thinking and non-thinking capabilities using bi-mode annealing, and apply Bi-mode Policy Optimization (BPO) to improve the model's accuracy in determining whether to activate the thinking process. Specifically, we first train the model on a carefully curated dataset spanning various topics, which contains samples from both thinking and non-thinking modes. Then it undergoes a second phase of training under an improved GRPO framework, where the policy model is forced to generate responses from both modes for each input query. Experimental results show that R-4B achieves state-of-the-art performance across 25 challenging benchmarks. It outperforms Qwen2.5-VL-7B in most tasks and achieves performance comparable to larger models such as Kimi-VL-A3B-Thinking-2506 (16B) on reasoning-intensive benchmarks with lower computational cost.
Authors: Cl\'emence M\'etayer, Annabelle Ballesta, Julien Martinelli
Abstract: Recent technological advances have expanded the availability of high-throughput biological datasets, enabling the reliable design of digital twins of biomedical systems or patients. Such computational tools represent key reaction networks driving perturbation or drug response and can guide drug discovery and personalized therapeutics. Yet, their development still relies on laborious data integration by the human modeler, so that automated approaches are critically needed. The success of data-driven system discovery in Physics, rooted in clean datasets and well-defined governing laws, has fueled interest in applying similar techniques in Biology, which presents unique challenges. Here, we reviewed methodologies for automatically inferring digital twins from biological time series, which mostly involve symbolic or sparse regression. We evaluate algorithms according to eight biological and methodological challenges, associated to noisy/incomplete data, multiple conditions, prior knowledge integration, latent variables, high dimensionality, unobserved variable derivatives, candidate library design, and uncertainty quantification. Upon these criteria, sparse regression generally outperformed symbolic regression, particularly when using Bayesian frameworks. We further highlight the emerging role of deep learning and large language models, which enable innovative prior knowledge integration, though the reliability and consistency of such approaches must be improved. While no single method addresses all challenges, we argue that progress in learning digital twins will come from hybrid and modular frameworks combining chemical reaction network-based mechanistic grounding, Bayesian uncertainty quantification, and the generative and knowledge integration capacities of deep learning. To support their development, we further propose a benchmarking framework to evaluate methods across all challenges.