Authors: Aseel Rawashdeh
Abstract: Reinforcement learning in mobile health (mHealth) interventions requires balancing intervention efficacy with user burden, particularly when state measurements (for example, user surveys or feedback) are costly yet essential. The Act-Then-Measure (ATM) heuristic addresses this challenge by decoupling control and measurement actions within the Action-Contingent Noiselessly Observable Markov Decision Process (ACNO-MDP) framework. However, the standard ATM algorithm relies on a temporal-difference-inspired Q-learning method, which is prone to instability in sparse and noisy environments. In this work, we propose a Bayesian extension to ATM that replaces standard Q-learning with a Kalman filter-style Bayesian update, maintaining uncertainty-aware estimates of Q-values and enabling more stable and sample-efficient learning. We evaluate our method in both toy environments and clinically motivated testbeds. In small, tabular environments, Bayesian ATM achieves comparable or improved scalarized returns with substantially lower variance and more stable policy behavior. In contrast, in larger and more complex mHealth settings, both the standard and Bayesian ATM variants perform poorly, suggesting a mismatch between ATM's modeling assumptions and the structural challenges of real-world mHealth domains. These findings highlight the value of uncertainty-aware methods in low-data settings while underscoring the need for new RL algorithms that explicitly model causal structure, continuous states, and delayed feedback under observation cost constraints.
Authors: Filippo Cenacchi, Deborah Richards, Longbing Cao
Abstract: Testing humanoid robots with users is slow, causes wear, and limits iteration and diversity. Yet screening agents must master conversational timing, prosody, backchannels, and what to attend to in faces and speech for Depression and PTSD. Most simulators omit policy learning with nonverbal dynamics; many controllers chase task accuracy while underweighting trust, pacing, and rapport. We virtualise the humanoid as a conversational agent to train without hardware burden. Our agent-centred, simulation-first pipeline turns interview data into 276 Unreal Engine MetaHuman patients with synchronised speech, gaze/face, and head-torso poses, plus PHQ-8 and PCL-C flows. A perception-fusion-policy loop decides what and when to speak, when to backchannel, and how to avoid interruptions, under a safety shield. Training uses counterfactual replay (bounded nonverbal perturbations) and an uncertainty-aware turn manager that probes to reduce diagnostic ambiguity. Results are simulation-only; the humanoid is the transfer target. In comparing three controllers, a custom TD3 (Twin Delayed DDPG) outperformed PPO and CEM, achieving near-ceiling coverage with steadier pace at comparable rewards. Decision-quality analyses show negligible turn overlap, aligned cut timing, fewer clarification prompts, and shorter waits. Performance stays stable under modality dropout and a renderer swap, and rankings hold on a held-out patient split. Contributions: (1) an agent-centred simulator that turns interviews into 276 interactive patients with bounded nonverbal counterfactuals; (2) a safe learning loop that treats timing and rapport as first-class control variables; (3) a comparative study (TD3 vs PPO/CEM) with clear gains in completeness and social timing; and (4) ablations and robustness analyses explaining the gains and enabling clinician-supervised humanoid pilots.
Authors: Yuhao Xu, Jiaying Lu, Sirui Ding, Defu Cao, Xiao Hu, Carl Yang
Abstract: In the process of patient diagnosis, non-invasive measurements are widely used due to their low risks and quick results. Electrocardiogram (ECG), as a non-invasive method to collect heart activities, is used to diagnose cardiac conditions. Analyzing the ECG typically requires domain expertise, which is a roadblock to applying artificial intelligence (AI) for healthcare. Through advances in self-supervised learning and foundation models, AI systems can now acquire and leverage domain knowledge without relying solely on human expertise. However, there is a lack of comprehensive analyses over the foundation models' performance on ECG. This study aims to answer the research question: "Are Foundation Models Useful for ECG Analysis?" To address it, we evaluate language/general time-series/ECG foundation models in comparison with time-series deep learning models. The experimental results show that general time-series/ECG foundation models achieve a top performance rate of 80%, indicating their effectiveness in ECG analysis. In-depth analyses and insights are provided along with comprehensive experimental results. This study highlights the limitations and potential of foundation models in advancing physiological waveform analysis. The data and code for this benchmark are publicly available at https://github.com/yuhaoxu99/ECGMultitasks-Benchmark.
Authors: Renbin Li, Shuangshuang Li, Peihao Dong
Abstract: Extremely large-scale massive multiple-input multiple-output (XL-MIMO) is a key enabler for sixth-generation (6G) networks, offering massive spatial degrees of freedom. Despite these advantages, the coexistence of near-field and far-field effects in hybrid-field channels presents significant challenges for accurate estimation, where traditional methods often struggle to generalize effectively. In recent years, large language models (LLMs) have achieved impressive performance on downstream tasks via fine-tuning, aligning with the semantic communication shift toward task-oriented understanding over bit-level accuracy. Motivated by this, we propose Large Language Models for XL-MIMO Channel Estimation (LLM4XCE), a novel channel estimation framework that leverages the semantic modeling capabilities of large language models to recover essential spatial-channel representations for downstream tasks. The model integrates a carefully designed embedding module with Parallel Feature-Spatial Attention, enabling deep fusion of pilot features and spatial structures to construct a semantically rich representation for LLM input. By fine-tuning only the top two Transformer layers, our method effectively captures latent dependencies in the pilot data while ensuring high training efficiency. Extensive simulations demonstrate that LLM4XCE significantly outperforms existing state-of-the-art methods under hybrid-field conditions, achieving superior estimation accuracy and generalization performance.
Authors: Kumarjit Pathak, Karthik K, Sachin Madan, Jitin Kapila
Abstract: K-Nearest Neighbors (KNN) is one of the most used ML classifiers. However, if we observe closely, standard distance-weighted KNN and relative variants assume all 'k' neighbors are equally reliable. In heterogeneous feature space, this becomes a limitation that hinders reliability in predicting true levels of the observation. We propose DW-KNN (Double Weighted KNN), a transparent and robust variant that integrates exponential distance with neighbor validity. This enables instance-level interpretability, suppresses noisy or mislabeled samples, and reduces hyperparameter sensitivity. Comprehensive evaluation on 9 data-sets helps to demonstrate that DW-KNN achieves 0.8988 accuracy on average. It ranks 2nd among six methods and within 0.2% of the best-performing Ensemble KNN. It also exhibits the lowest cross-validation variance (0.0156), indicating reliable prediction stability. Statistical significance test confirmed ($p < 0.001$) improvement over compactness weighted KNN (+4.09\%) and Kernel weighted KNN (+1.13\%). The method provides a simple yet effective alternative to complex adaptive schemes, particularly valuable for high-stakes applications requiring explainable predictions.
Authors: Dhruv Nigam
Abstract: User behavior prediction at scale remains a critical challenge for online B2C platforms. Traditional approaches rely heavily on task-specific models and domain-specific feature engineering. This is time-consuming, computationally expensive, and requires domain expertise and therefore not scalable. We present LUMOS (Large User MOdel Series), a transformer-based architecture that eliminates task-specific models and manual feature engineering by learning multiple tasks jointly using only raw user activity data. LUMOS introduces a novel cross-attention mechanism that conditions predictions on future known events (e.g., holidays, sales, etc.), enabling the model to predict complex behaviour patterns like "how will upcoming holidays affect user engagement?" The architecture also employs multi-modal tokenization, combining user transactions, event context, and static user demographic attributes into rich representations processed through specialized embedding pathways. Through extensive experiments on a production dataset spanning 275 billion user activity tokens from 250 million users, we demonstrate that LUMOS achieves superior performance compared to traditional task-specific models. Across 5 tasks with established baselines, we achieve an average improvement of 0.025 in ROC-AUC for binary classification tasks and 4.6\% reduction in MAPE for regression tasks. Online A/B testing validates these improvements translate to measurable business impact with a 3.15\% increase in Daily Active Users.
Authors: Ard Kastrati, Josua B\"urki, Jonas Lauer, Cheng Xuan, Raffaele Iaquinto, Roger Wattenhofer
Abstract: We introduce a unified benchmarking framework focused on evaluating EEG-based foundation models in clinical applications. The benchmark spans 11 well-defined diagnostic tasks across 14 publicly available EEG datasets, including epilepsy, schizophrenia, Parkinson's disease, OCD, and mild traumatic brain injury. It features minimal preprocessing, standardized evaluation protocols, and enables side-by-side comparisons of classical baselines and modern foundation models. Our results show that while foundation models achieve strong performance in certain settings, simpler models often remain competitive, particularly under clinical distribution shifts. To facilitate reproducibility and adoption, we release all prepared data and code in an accessible and extensible format.
Authors: Yueer Zhou, Yichen Wu, Ying Wei
Abstract: Low-Rank Adaptation (LoRA) enables efficient Continual Learning but often suffers from catastrophic forgetting due to destructive interference between tasks. Our analysis reveals that this degradation is primarily driven by antagonistic directional updates where new task gradients directly oppose the historical weight trajectory. To address this, we propose PS-LoRA (Parameter Stability LoRA), a framework designed to resolve conflicts by aligning updates within the optimization subspace. Our approach employs a dual-regularization objective that penalizes conflicting directions and constrains magnitude deviations to ensure consistency with prior knowledge. Additionally, we implement a magnitude-based merging strategy to consolidate sequential adapters into a robust representation without retraining. Experiments on NLP and Vision benchmarks show that PS-LoRA outperforms state-of-the-art methods by preserving the stability of learned representations while efficiently adapting to new domains.
Authors: Yongyu Wang
Abstract: Graph Neural Networks (GNNs) achieve strong performance on graph-structured data, but are notoriously vulnerable to small, carefully crafted perturbations of the graph structure. Most existing structure-based attacks rely on gradient-based heuristics or local connectivity patterns, and treat edges as equally important candidates for manipulation. In this paper, we propose Spectral Edge Attacks (SEA), a new family of adversarial attacks that explicitly leverage spectral robustness evaluation to guide structural perturbations. Our key idea is to compute a spectral embedding that captures the most fragile directions of the input manifold and to use it to assign a robustness score to each edge or non-edge. Based on these scores, we introduce two complementary attack variants: (i) a Spade-guided deletion attack that removes the most spectrally robust edges, and (ii) a Spade-guided addition attack that inserts edges between nodes that are maximally incompatible in the fragile spectral space. Both attacks operate at the graph level, are model-aware but conceptually simple, and can be plugged into existing GNN architectures without requiring gradients. We describe the spectral formulation, the attack algorithms, and experiments on benchmarks.
Authors: Glenn Matlin, Siddharth, Anirudh JM, Aditya Shukla, Yahya Hassan, Sudheer Chava
Abstract: Language Models (LMs) struggle with complex, interdependent instructions, particularly in high-stakes domains like finance where precision is critical. We introduce FIFE, a novel, high-difficulty benchmark designed to assess LM instruction-following capabilities for financial analysis tasks. FIFE comprises 88 human-authored prompts and employs a verification system with chainable, verifiable constraints for fine-grained reward signals. We evaluate 53 models (proprietary, open-weight, open-source) in a zero-shot setting. Our key findings reveal a clear performance hierarchy: the top open-weight model (76.1 strict / 79.5 loose) surpasses the leading proprietary system (65.9 strict / 70.5 loose), while the best open-source models lag significantly (45.5 strict / 48.9 loose). However, even top-performing models struggle with FIFE's complex requirements, failing to achieve perfect compliance. We release our dataset and code as an open-source resource to promote research in Reinforcement Learning for the financial domain.
Authors: Zixia Wang, Gaojie Jin, Jia Hu, Ronghui Mu
Abstract: Recent advancements in Large Language Models (LLMs) have led to their widespread adoption in daily applications. Despite their impressive capabilities, they remain vulnerable to adversarial attacks, as even minor meaning-preserving changes such as synonym substitutions can lead to incorrect predictions. As a result, certifying the robustness of LLMs against such adversarial prompts is of vital importance. Existing approaches focused on word deletion or simple denoising strategies to achieve robustness certification. However, these methods face two critical limitations: (1) they yield loose robustness bounds due to the lack of semantic validation for perturbed outputs and (2) they suffer from high computational costs due to repeated sampling. To address these limitations, we propose CluCERT, a novel framework for certifying LLM robustness via clustering-guided denoising smoothing. Specifically, to achieve tighter certified bounds, we introduce a semantic clustering filter that reduces noisy samples and retains meaningful perturbations, supported by theoretical analysis. Furthermore, we enhance computational efficiency through two mechanisms: a refine module that extracts core semantics, and a fast synonym substitution strategy that accelerates the denoising process. Finally, we conduct extensive experiments on various downstream tasks and jailbreak defense scenarios. Experimental results demonstrate that our method outperforms existing certified approaches in both robustness bounds and computational efficiency.
Authors: Mustapha Hamdi
Abstract: The rapid scaling of large computational models has led to a critical increase in energy and compute costs. Inspired by biological systems where structure and function emerge from low-energy configurations, we introduce StructuredDNA, a sparse architecture framework for modular, energy-aware Transformer routing. StructuredDNA replaces dense Mixture-of-Experts routing with a bio-physical, energy-guided routing layer based on semantic energy minimization. Inputs are dynamically grouped into semantic codons, and routing selects a single expert by minimizing a global energy functional that combines cohesion, uncertainty, and computational cost. We validate StructuredDNA on both specialized (BioASQ) and open-domain benchmarks (WikiText-103). On BioASQ (K = 50), we achieve a 97.7% reduction in Energy Utilization Density (EUD) and a Semantic Stability Index (SSI) of 0.998. We further demonstrate a Semantic Scaling Law on WikiText-103, showing that the architecture generalizes to open domains by scaling expert granularity (K = 2048) while maintaining more than 99% energy efficiency. StructuredDNA thus establishes a robust, domain-agnostic paradigm for future sparse computational frameworks. StructuredDNA provides an explicit link between bio-physical principles and sparse expert routing in Transformer architectures, and points toward future energy-aware, modular, and scalable computational systems. We discuss limitations of this proof-of-concept study and outline directions for scaling the approach to larger models, datasets, and hardware platforms. The StructuredDNA implementation is available at https://github.com/InnoDeep-repos/StructuredDNA .
Authors: Elias Hossain, Umesh Biswas, Charan Gudla, Sai Phani Parsa
Abstract: We propose the Uncertainty Contrastive Framework (UCF), a Positive-Unlabeled (PU) representation learning framework that integrates uncertainty-aware contrastive loss, adaptive temperature scaling, and a self-attention-guided LSTM encoder to improve classification under noisy and imbalanced conditions. UCF dynamically adjusts contrastive weighting based on sample confidence, stabilizes training using positive anchors, and adapts temperature parameters to batch-level variability. Applied to malicious content classification, UCF-generated embeddings enable multiple traditional classifiers to achieve more than 93.38% accuracy, precision above 0.93, and near-perfect recall, with minimal false negatives and competitive ROC-AUC scores. Visual analyses confirm clear separation between positive and unlabeled instances, highlighting the framework's ability to produce calibrated, discriminative embeddings. These results position UCF as a robust and scalable solution for PU learning in high-stakes domains such as cybersecurity and biomedical text mining.
Authors: Isha Chaturvedi, Anjana Nair, Yushen Li, Adhitya Rajendra Kumar, Kevin Zhu, Sunishchal Dev, Ashwinee Panda, Vasu Sharma
Abstract: We introduce Contrastive Region Masking (CRM), a training free diagnostic that reveals how multimodal large language models (MLLMs) depend on specific visual regions at each step of chain-of-thought (CoT) reasoning. Unlike prior approaches limited to final answers or attention maps, CRM provides causal, step-level attri- bution by systematically masking annotated regions and contrasting the resulting reasoning traces with unmasked baselines. Applied to datasets such as VisArgs, CRM reveals distinct failure modes: some models preserve reasoning structure, but hallucinate when evidence is missing, while others ground tightly to visual cues yet collapse under perturbations. By shifting the evaluation from correctness of an- swers to faithfulness of reasoning, CRM reframes visual benchmarks as diagnostic tools, highlighting the need for multimodal evaluation frameworks that measure not just performance, but also robustness and fidelity of reasoning.
Authors: Paul Garnier, Pablo Jeken-Rico, Vincent Lannelongue, Chiara Faitini, Aur\`ele Goetz, Lea Chanvillard, Ramy Nemer, Jonathan Viquerat, Ugo Pelissier, Philippe Meliga, Jacques S\'edat, Thomas Liebig, Yves Chau, Elie Hachem
Abstract: Intracranial aneurysms remain a major cause of neurological morbidity and mortality worldwide, where rupture risk is tightly coupled to local hemodynamics particularly wall shear stress and oscillatory shear index. Conventional computational fluid dynamics simulations provide accurate insights but are prohibitively slow and require specialized expertise. Clinical imaging alternatives such as 4D Flow MRI offer direct in-vivo measurements, yet their spatial resolution remains insufficient to capture the fine-scale shear patterns that drive endothelial remodeling and rupture risk while being extremely impractical and expensive. We present a graph neural network surrogate model that bridges this gap by reproducing full-field hemodynamics directly from vascular geometries in less than one minute per cardiac cycle. Trained on a comprehensive dataset of high-fidelity simulations of patient-specific aneurysms, our architecture combines graph transformers with autoregressive predictions to accurately simulate blood flow, wall shear stress, and oscillatory shear index. The model generalizes across unseen patient geometries and inflow conditions without mesh-specific calibration. Beyond accelerating simulation, our framework establishes the foundation for clinically interpretable hemodynamic prediction. By enabling near real-time inference integrated with existing imaging pipelines, it allows direct comparison with hospital phase-diagram assessments and extends them with physically grounded, high-resolution flow fields. This work transforms high-fidelity simulations from an expert-only research tool into a deployable, data-driven decision support system. Our full pipeline delivers high-resolution hemodynamic predictions within minutes of patient imaging, without requiring computational specialists, marking a step-change toward real-time, bedside aneurysm analysis.
Authors: Alon Arad, Saharon Rosset
Abstract: Accurate and reliable probability predictions are essential for multi-class supervised learning tasks, where well-calibrated models enable rational decision-making. While isotonic regression has proven effective for binary calibration, its extension to multi-class problems via one-vs-rest calibration produced suboptimal results when compared to parametric methods, limiting its practical adoption. In this work, we propose novel isotonic normalization-aware techniques for multiclass calibration, grounded in natural and intuitive assumptions expected by practitioners. Unlike prior approaches, our methods inherently account for probability normalization by either incorporating normalization directly into the optimization process (NA-FIR) or modeling the problem as a cumulative bivariate isotonic regression (SCIR). Empirical evaluation on a variety of text and image classification datasets across different model architectures reveals that our approach consistently improves negative log-likelihood (NLL) and expected calibration error (ECE) metrics.
Authors: Marina Vicens-Miquel, Amy McGovern, Aaron J. Hill, Efi Foufoula-Georgiou, Clement Guilloteau, Samuel S. P. Shen
Abstract: Accurate precipitation forecasting is essential for hydrometeorological risk management, especially for anticipating extreme rainfall that can lead to flash flooding and infrastructure damage. This study introduces a diffusion-based deep learning (DL) framework that systematically compares three residual prediction strategies differing only in their input sources: (1) a fully data-driven model using only past observations from the Multi-Radar Multi-Sensor (MRMS) system, (2) a corrective model using only forecasts from the High-Resolution Rapid Refresh (HRRR) numerical weather prediction system, and (3) a hybrid model integrating both MRMS and selected HRRR forecast variables. By evaluating these approaches under a unified setup, we provide a clearer understanding of how each data source contributes to predictive skill over the Continental United States (CONUS). Forecasts are produced at 1-km spatial resolution, beginning with direct 1-hour predictions and extending to 12 hours using autoregressive rollouts. Performance is evaluated using both CONUS-wide and region-specific metrics that assess overall performance and skill at extreme rainfall thresholds. Across all lead times, our DL framework consistently outperforms the HRRR baseline in pixel-wise and spatiostatistical metrics. The hybrid model performs best at the shortest lead time, while the HRRR-corrective model outperforms others at longer lead times, maintaining high skill through 12 hours. To assess reliability, we incorporate calibrated uncertainty quantification tailored to the residual learning setup. These gains, particularly at longer lead times, are critical for emergency preparedness, where modest increases in forecast horizon can improve decision-making. This work advances DL-based precipitation forecasting by enhancing predictive skill, reliability, and applicability across regions.
Authors: Luis Rangel DaCosta, Mary C. Scott
Abstract: Neural networks, while effective for tackling many challenging scientific tasks, are not known to perform well out-of-distribution (OOD), i.e., within domains which differ from their training data. Understanding neural network OOD generalization is paramount to their successful deployment in experimental workflows, especially when ground-truth knowledge about the experiment is hard to establish or experimental conditions significantly vary. With inherent access to ground-truth information and fine-grained control of underlying distributions, simulation-based data curation facilitates precise investigation of OOD generalization behavior. Here, we probe generalization with respect to imaging conditions of neural network segmentation models for high-resolution transmission electron microscopy (HRTEM) imaging of nanoparticles, training and measuring the OOD generalization of over 12,000 neural networks using synthetic data generated via random structure sampling and multislice simulation. Using the HRTEM contrast transfer function, we further develop a framework to compare information content of HRTEM datasets and quantify OOD domain shifts. We demonstrate that neural network segmentation models enjoy significant performance stability, but will smoothly and predictably worsen as imaging conditions shift from the training distribution. Lastly, we consider limitations of our approach in explaining other OOD shifts, such as of the atomic structures, and discuss complementary techniques for understanding generalization in such settings.
Authors: Shangqing Xu, Zhiyuan Zhao, Megha Sharma, Jos\'e Mar\'ia Mart\'in-Olalla, Alexander Rodr\'iguez, Gregory A. Wellenius, B. Aditya Prakash
Abstract: Severe heatwaves in urban areas significantly threaten public health, calling for establishing early warning strategies. Despite predicting occurrence of heatwaves and attributing historical mortality, predicting an incoming deadly heatwave remains a challenge due to the difficulty in defining and estimating heat-related mortality. Furthermore, establishing an early warning system imposes additional requirements, including data availability, spatial and temporal robustness, and decision costs. To address these challenges, we propose DeepTherm, a modular early warning system for deadly heatwave prediction without requiring heat-related mortality history. By highlighting the flexibility of deep learning, DeepTherm employs a dual-prediction pipeline, disentangling baseline mortality in the absence of heatwaves and other irregular events from all-cause mortality. We evaluated DeepTherm on real-world data across Spain. Results demonstrate consistent, robust, and accurate performance across diverse regions, time periods, and population groups while allowing trade-off between missed alarms and false alarms.
Authors: Moazzam Umer Gondal, Hamad ul Qudous, Asma Ahmad Farhan
Abstract: Accurate forecasting of urban air pollution is essential for protecting public health and guiding mitigation policies. While Deep Learning (DL) and hybrid pipelines dominate recent research, their complexity and limited interpretability hinder operational use. This study investigates whether lightweight additive models -- Facebook Prophet (FBP) and NeuralProphet (NP) -- can deliver competitive forecasts for particulate matter (PM$_{2.5}$, PM$_{10}$) in Beijing, China. Using multi-year pollutant and meteorological data, we applied systematic feature selection (correlation, mutual information, mRMR), leakage-safe scaling, and chronological data splits. Both models were trained with pollutant and precursor regressors, with NP additionally leveraging lagged dependencies. For context, two machine learning baselines (LSTM, LightGBM) and one traditional statistical model (SARIMAX) were also implemented. Performance was evaluated on a 7-day holdout using MAE, RMSE, and $R^2$. Results show that FBP consistently outperformed NP, SARIMAX, and the learning-based baselines, achieving test $R^2$ above 0.94 for both pollutants. These findings demonstrate that interpretable additive models remain competitive with both traditional and complex approaches, offering a practical balance of accuracy, transparency, and ease of deployment.
Authors: Oscar Eliasson
Abstract: The Kolmogorov-Arnold representation theorem offers a theoretical alternative to Multi-Layer Perceptrons (MLPs) by placing learnable univariate functions on edges rather than nodes. While recent implementations such as Kolmogorov-Arnold Networks (KANs) demonstrate high approximation capabilities, they suffer from significant parameter inefficiency due to the requirement of maintaining unique parameterizations for every network edge. In this work, we propose GS-KAN (Generalized Sprecher-KAN), a lightweight architecture inspired by David Sprecher's refinement of the superposition theorem. GS-KAN constructs unique edge functions by applying learnable linear transformations to a single learnable, shared parent function per layer. We evaluate GS-KAN against existing KAN architectures and MLPs across synthetic function approximation, tabular data regression and image classification tasks. Our results demonstrate that GS-KAN outperforms both MLPs and standard KAN baselines on continuous function approximation tasks while maintaining superior parameter efficiency. Additionally, GS-KAN achieves competitive performance with existing KAN architectures on tabular regression and outperforms MLPs on high-dimensional classification tasks. Crucially, the proposed architecture enables the deployment of KAN-based architectures in high-dimensional regimes under strict parameter constraints, a setting where standard implementations are typically infeasible due to parameter explosion. The source code is available at https://github.com/rambamn48/gs-impl.
Authors: Shihao Li, Jiachen Li, Dongmei Chen
Abstract: Data attribution methods identify which training examples are responsible for a model's predictions, but their sensitivity to distributional perturbations undermines practical reliability. We present a unified framework for certified robust attribution that extends from convex models to deep networks. For convex settings, we derive Wasserstein-Robust Influence Functions (W-RIF) with provable coverage guarantees. For deep networks, we demonstrate that Euclidean certification is rendered vacuous by spectral amplification -- a mechanism where the inherent ill-conditioning of deep representations inflates Lipschitz bounds by over $10{,}000\times$. This explains why standard TRAK scores, while accurate point estimates, are geometrically fragile: naive Euclidean robustness analysis yields 0\% certification. Our key contribution is the Natural Wasserstein metric, which measures perturbations in the geometry induced by the model's own feature covariance. This eliminates spectral amplification, reducing worst-case sensitivity by $76\times$ and stabilizing attribution estimates. On CIFAR-10 with ResNet-18, Natural W-TRAK certifies 68.7\% of ranking pairs compared to 0\% for Euclidean baselines -- to our knowledge, the first non-vacuous certified bounds for neural network attribution. Furthermore, we prove that the Self-Influence term arising from our analysis equals the Lipschitz constant governing attribution stability, providing theoretical grounding for leverage-based anomaly detection. Empirically, Self-Influence achieves 0.970 AUROC for label noise detection, identifying 94.1\% of corrupted labels by examining just the top 20\% of training data.
Authors: Metod Jazbec, Theo X. Olausson, Louis B\'ethune, Pierre Ablin, Michael Kirchhof, Joao Monterio, Victor Turrisi, Jason Ramapuram, Marco Cuturi
Abstract: Diffusion (Large) Language Models (dLLMs) now match the downstream performance of their autoregressive counterparts on many tasks, while holding the promise of being more efficient during inference. One particularly successful variant is masked discrete diffusion, in which a buffer filled with special mask tokens is progressively replaced with tokens sampled from the model's vocabulary. Efficiency can be gained by unmasking several tokens in parallel, but doing too many at once risks degrading the generation quality. Thus, one critical design aspect of dLLMs is the sampling procedure that selects, at each step of the diffusion process, which tokens to replace. Indeed, recent work has found that heuristic strategies such as confidence thresholding lead to both higher quality and token throughput compared to random unmasking. However, such heuristics have downsides: they require manual tuning, and we observe that their performance degrades with larger buffer sizes. In this work, we instead propose to train sampling procedures using reinforcement learning. Specifically, we formalize masked diffusion sampling as a Markov decision process in which the dLLM serves as the environment, and propose a lightweight policy architecture based on a single-layer transformer that maps dLLM token confidences to unmasking decisions. Our experiments show that these trained policies match the performance of state-of-the-art heuristics when combined with semi-autoregressive generation, while outperforming them in the full diffusion setting. We also examine the transferability of these policies, finding that they can generalize to new underlying dLLMs and longer sequence lengths. However, we also observe that their performance degrades when applied to out-of-domain data, and that fine-grained tuning of the accuracy-efficiency trade-off can be challenging with our approach.
Authors: Muhammad Abid, Omer San
Abstract: Deep Operator Networks (DeepONets) have become a central tool in data-driven operator learning, providing flexible surrogates for nonlinear mappings arising in partial differential equations (PDEs). However, the standard trunk design based on fully connected layers acting on raw spatial or spatiotemporal coordinates struggles to represent sharp gradients, boundary layers, and non-periodic structures commonly found in PDEs posed on bounded domains with Dirichlet or Neumann boundary conditions. To address these limitations, we introduce the Spectral-Embedded DeepONet (SEDONet), a new DeepONet variant in which the trunk is driven by a fixed Chebyshev spectral dictionary rather than coordinate inputs. This non-periodic spectral embedding provides a principled inductive bias tailored to bounded domains, enabling the learned operator to capture fine-scale non-periodic features that are difficult for Fourier or MLP trunks to represent. SEDONet is evaluated on a suite of PDE benchmarks including 2D Poisson, 1D Burgers, 1D advection-diffusion, Allen-Cahn dynamics, and the Lorenz-96 chaotic system, covering elliptic, parabolic, advective, and multiscale temporal phenomena, all of which can be viewed as canonical problems in computational mechanics. Across all datasets, SEDONet consistently achieves the lowest relative L2 errors among DeepONet, FEDONet, and SEDONet, with average improvements of about 30-40% over the baseline DeepONet and meaningful gains over Fourier-embedded variants on non-periodic geometries. Spectral analyses further show that SEDONet more accurately preserves high-frequency and boundary-localized features, demonstrating the value of Chebyshev embeddings in non-periodic operator learning. The proposed architecture offers a simple, parameter-neutral modification to DeepONets, delivering a robust and efficient spectral framework for surrogate modeling of PDEs on bounded domains.
Authors: Hunjae Lee
Abstract: Transformers and more specifically decoder-only transformers dominate modern LLM architectures. While they have shown to work exceptionally well, they are not without issues, resulting in surprising failure modes and predictably asymmetric performance degradation. This article is a study of many of these observed failure modes of transformers through the lens of graph neural network (GNN) theory. We first make the case that much of deep learning, including transformers, is about learnable information mixing and propagation. This makes the study of model failure modes a study of bottlenecks in information propagation. This naturally leads to GNN theory, where there is already a rich literature on information propagation bottlenecks and theoretical failure modes of models. We then make the case that many issues faced by GNNs are also experienced by transformers. In addition, we analyze how the causal nature of decoder-only transformers create interesting geometric properties in information propagation, resulting in predictable and potentially devastating failure modes. Finally, we observe that existing solutions in transformer research tend to be ad-hoc and driven by intuition rather than grounded theoretical motivation. As such, we unify many such solutions under a more theoretical perspective, providing insight into why they work, what problem they are actually solving, and how they can be further improved to target specific failure modes of transformers. Overall, this article is an attempt to bridge the gap between observed failure modes in transformers and a general lack of theoretical understanding of them in this space.
Authors: Phevos Paschalidis, Vasiliki Stoumpou, Lisa Everest, Yu Ma, Talhat Azemi, Jawad Haider, Steven Zweibel, Eleftherios M. Protopapas, Jeff Mather, Maciej Tysarowski, George E. Sarris, Robert C. Hagberg, Howard L. Haronian, Dimitris Bertsimas
Abstract: Transcatheter Aortic Valve Replacement (TAVR) has emerged as a minimally invasive treatment option for patients with severe aortic stenosis, a life-threatening cardiovascular condition. Multiple transcatheter heart valves (THV) have been approved for use in TAVR, but current guidelines regarding valve type prescription remain an active topic of debate. We propose a data-driven clinical support tool to identify the optimal valve type with the objective of minimizing the risk of permanent pacemaker implantation (PPI), a predominant postoperative complication. We synthesize a novel dataset that combines U.S. and Greek patient populations and integrates three distinct data sources (patient demographics, computed tomography scans, echocardiograms) while harmonizing differences in each country's record system. We introduce a leaf-level analysis to leverage population heterogeneity and avoid benchmarking against uncertain counterfactual risk estimates. The final prescriptive model shows a reduction in PPI rates of 26% and 16% compared with the current standard of care in our internal U.S. population and external Greek validation cohort, respectively. To the best of our knowledge, this work represents the first unified, personalized prescription strategy for THV selection in TAVR.
Authors: Yasaman Esfandiari, Jocelyn Rego, Austin Meyer, Jonathan Gallagher, Mia Levy
Abstract: Large Language Models (LLMs) and transformer architectures have shown impressive reasoning and generation capabilities across diverse natural language tasks. However, their reliability and robustness in real-world engineering domains remain largely unexplored, limiting their practical utility in human-centric workflows. In this work, we investigate the applicability and consistency of LLMs for analog circuit design -- a task requiring domain-specific reasoning, adherence to physical constraints, and structured representations -- focusing on AI-assisted design where humans remain in the loop. We study how different data representations influence model behavior and compare smaller models (e.g., T5, GPT-2) with larger foundation models (e.g., Mistral-7B, GPT-oss-20B) under varying training conditions. Our results highlight key reliability challenges, including sensitivity to data format, instability in generated designs, and limited generalization to unseen circuit configurations. These findings provide early evidence on the limits and potential of LLMs as tools to enhance human capabilities in complex engineering tasks, offering insights into designing reliable, deployable foundation models for structured, real-world applications.
Authors: Jinming Lu, Jiayi Tian, Yequan Zhao, Hai Li, Zheng Zhang
Abstract: Physics-Informed Neural Networks (PINNs) have emerged as a promising paradigm for solving partial differential equations (PDEs) by embedding physical laws into neural network training objectives. However, their deployment on resource-constrained platforms is hindered by substantial computational and memory overhead, primarily stemming from higher-order automatic differentiation, intensive tensor operations, and reliance on full-precision arithmetic. To address these challenges, we present a framework that enables scalable and energy-efficient PINN training on edge devices. This framework integrates fully quantized training, Stein's estimator (SE)-based residual loss computation, and tensor-train (TT) decomposition for weight compression. It contributes three key innovations: (1) a mixed-precision training method that use a square-block MX (SMX) format to eliminate data duplication during backpropagation; (2) a difference-based quantization scheme for the Stein's estimator that mitigates underflow; and (3) a partial-reconstruction scheme (PRS) for TT-Layers that reduces quantization-error accumulation. We further design PINTA, a precision-scalable hardware accelerator, to fully exploit the performance of the framework. Experiments on the 2-D Poisson, 20-D Hamilton-Jacobi-Bellman (HJB), and 100-D Heat equations demonstrate that the proposed framework achieves accuracy comparable to or better than full-precision, uncompressed baselines while delivering 5.5x to 83.5x speedups and 159.6x to 2324.1x energy savings. This work enables real-time PDE solving on edge devices and paves the way for energy-efficient scientific computing at scale.
Authors: Ce Wang, Weihang Dai, Hanru Bai, Xiaomeng Li
Abstract: Contrastive learning methods enforce label distance relationships in feature space to improve representation capability for regression models. However, these methods highly depend on label information to correctly recover ordinal relationships of features, limiting their applications to semi-supervised regression. In this work, we extend contrastive regression methods to allow unlabeled data to be used in the semi-supervised setting, thereby reducing the dependence on costly annotations. Particularly we construct the feature similarity matrix with both labeled and unlabeled samples in a mini-batch to reflect inter-sample relationships, and an accurate ordinal ranking of involved unlabeled samples can be recovered through spectral seriation algorithms if the level of error is within certain bounds. The introduction of labeled samples above provides regularization of the ordinal ranking with guidance from the ground-truth label information, making the ranking more reliable. To reduce feature perturbations, we further utilize the dynamic programming algorithm to select robust features for the matrix construction. The recovered ordinal relationship is then used for contrastive learning on unlabeled samples, and we thus allow more data to be used for feature representation learning, thereby achieving more robust results. The ordinal rankings can also be used to supervise predictions on unlabeled samples, serving as an additional training signal. We provide theoretical guarantees and empirical verification through experiments on various datasets, demonstrating that our method can surpass existing state-of-the-art semi-supervised deep regression methods. Our code have been released on https://github.com/xmed-lab/CLSS.
Authors: Yixuan Wang, Dan P. Guralnik, Warren E. Dixon
Abstract: Inferring the eventual goal of a mobile agent from noisy observations of its trajectory is a fundamental estimation problem. We initiate the study of such intent inference using a variant of a Rao-Blackwellized Particle Filter (RBPF), subject to the assumption that the agent's intent manifests through closed-loop behavior with a state-of-the-art provable practical stability property. Leveraging the assumed closed-form agent dynamics, the RBPF analytically marginalizes the linear-Gaussian substructure and updates particle weights only, improving sample efficiency over a standard particle filter. Two difference estimators are introduced: a Gaussian mixture model using the RBPF weights and a reduced version confining the mixture to the effective sample. We quantify how well the adversary can recover the agent's intent using information-theoretic leakage metrics and provide computable lower bounds on the Kullback-Leibler (KL) divergence between the true intent distribution and RBPF estimates via Gaussian-mixture KL bounds. We also provide a bound on the difference in performance between the two estimators, highlighting the fact that the reduced estimator performs almost as well as the complete one. Experiments illustrate fast and accurate intent recovery for compliant agents, motivating future work on designing intent-obfuscating controllers.
Authors: Yuki Oda, Yuta Ono, Hiroshi Nakamura, Hideki Takase
Abstract: The continuous scaling of deep neural networks has fundamentally transformed machine learning, with larger models demonstrating improved performance across diverse tasks. This growth in model size has dramatically increased the computational resources required for the training process. Consequently, distributed approaches, such as Federated Learning and Split Learning, have become essential paradigms for scalable deployment. However, existing Split Learning approaches assume client homogeneity and uniform split points across all participants. This critically limits their applicability to real-world IoT systems where devices exhibit heterogeneity in computational resources. To address this limitation, this paper proposes Hetero-SplitEE, a novel method that enables heterogeneous IoT devices to train a shared deep neural network in parallel collaboratively. By integrating heterogeneous early exits into hierarchical training, our approach allows each client to select distinct split points (cut layers) tailored to its computational capacity. In addition, we propose two cooperative training strategies, the Sequential strategy and the Averaging strategy, to facilitate this collaboration among clients with different split points. The Sequential strategy trains clients sequentially with a shared server model to reduce computational overhead. The Averaging strategy enables parallel client training with periodic cross-layer aggregation. Extensive experiments on CIFAR-10, CIFAR-100, and STL-10 datasets using ResNet-18 demonstrate that our method maintains competitive accuracy while efficiently supporting diverse computational constraints, enabling practical deployment of collaborative deep learning in heterogeneous IoT ecosystems.
Authors: Yunshan Duan, Sinead Williamson
Abstract: Self supervised learning (SSL) is a machine learning paradigm where models learn to understand the underlying structure of data without explicit supervision from labeled samples. The acquired representations from SSL have demonstrated useful for many downstream tasks including clustering, and linear classification, etc. To ensure smoothness of the representation space, most SSL methods rely on the ability to generate pairs of observations that are similar to a given instance. However, generating these pairs may be challenging for many types of data. Moreover, these methods lack consideration of uncertainty quantification and can perform poorly in out-of-sample prediction settings. To address these limitations, we propose Gaussian process self supervised learning (GPSSL), a novel approach that utilizes Gaussian processes (GP) models on representation learning. GP priors are imposed on the representations, and we obtain a generalized Bayesian posterior minimizing a loss function that encourages informative representations. The covariance function inherent in GPs naturally pulls representations of similar units together, serving as an alternative to using explicitly defined positive samples. We show that GPSSL is closely related to both kernel PCA and VICReg, a popular neural network-based SSL method, but unlike both allows for posterior uncertainties that can be propagated to downstream tasks. Experiments on various datasets, considering classification and regression tasks, demonstrate that GPSSL outperforms traditional methods in terms of accuracy, uncertainty quantification, and error control.
Authors: Amin Tavakoli, Raswanth Murugan, Ozan Gokdemir, Arvind Ramanathan, Frances Arnold, Anima Anandkumar
Abstract: Supervised fine-tuning (SFT) is a standard approach for adapting large language models to specialized domains, yet its application to protein sequence modeling and protein language models (PLMs) remains ad hoc. This is in part because high-quality annotated data are far more difficult to obtain for proteins than for natural language. We present a simple and general recipe for fast SFT of PLMs, designed to improve the fidelity, reliability, and novelty of generated protein sequences. Unlike existing approaches that require costly precompiled experimental datasets for SFT, our method leverages the PLM itself, integrating a lightweight curation pipeline with domain-specific filters to construct high-quality training data. These filters can independently refine a PLM's output and identify candidates for in vitro evaluation; when combined with SFT, they enable PLMs to generate more stable and functional enzymes, while expanding exploration into protein sequence space beyond natural variants. Although our approach is agnostic to both the choice of protein language model (PLM) and the protein system, we demonstrate its effectiveness with a genome-scale PLM (GenSLM) applied to the tryptophan synthase enzyme family. The supervised fine-tuned model generates sequences that are not only more novel but also display improved characteristics across both targeted design constraints and emergent protein property measures.
Authors: Yutong Du, Zicheng Liu, Bo Wu, Jingwei Kou, Hang Li, Changyou Li, Yali Zong, Bo Qi
Abstract: This paper presents an improved physics-driven neural network (IPDNN) framework for solving electromagnetic inverse scattering problems (ISPs). A new Gaussian-localized oscillation-suppressing window (GLOW) activation function is introduced to stabilize convergence and enable a lightweight yet accurate network architecture. A dynamic scatter subregion identification strategy is further developed to adaptively refine the computational domain, preventing missed detections and reducing computational cost. Moreover, transfer learning is incorporated to extend the solver's applicability to practical scenarios, integrating the physical interpretability of iterative algorithms with the real-time inference capability of neural networks. Numerical simulations and experimental results demonstrate that the proposed solver achieves superior reconstruction accuracy, robustness, and efficiency compared with existing state-of-the-art methods.
Authors: Junru Zhou, Yicheng Wang, Pan Li
Abstract: Graph Neural Networks (GNNs) have emerged as a promising approach for ``learning to branch'' in Mixed-Integer Linear Programming (MILP). While standard Message-Passing GNNs (MPNNs) are efficient, they theoretically lack the expressive power to fully represent MILP structures. Conversely, higher-order GNNs (like 2-FGNNs) are expressive but computationally prohibitive. In this work, we investigate Subgraph GNNs as a theoretical middle ground. Crucially, while previous work [Chen et al., 2025] demonstrated that GNNs with 3-WL expressive power can approximate Strong Branching, we prove a sharper result: node-anchored Subgraph GNNs whose expressive power is strictly lower than 3-WL [Zhang et al., 2023] are sufficient to approximate Strong Branching scores. However, our extensive empirical evaluation on four benchmark datasets reveals a stark contrast between theory and practice. While node-anchored Subgraph GNNs theoretically offer superior branching decisions, their $O(n)$ complexity overhead results in significant memory bottlenecks and slower solving times than MPNNs and heuristics. Our results indicate that for MILP branching, the computational cost of expressive GNNs currently outweighs their gains in decision quality, suggesting that future research must focus on efficiency-preserving expressivity.
Authors: Boge Lyu, Qianye Yin, Iris Denise Tommelein, Hanyang Liu, Karnamohit Ranka, Karthik Yeluripati, Junzhe Shi
Abstract: The persistent volatility of construction material prices poses significant risks to cost estimation, budgeting, and project delivery, underscoring the urgent need for granular and scalable forecasting methods. This study develops a forecasting framework that leverages the Construction Specifications Institute (CSI) MasterFormat as the target data structure, enabling predictions at the six-digit section level and supporting detailed cost projections across a wide spectrum of building materials. To enhance predictive accuracy, the framework integrates explanatory variables such as raw material prices, commodity indexes, and macroeconomic indicators. Four time-series models, Long Short-Term Memory (LSTM), Autoregressive Integrated Moving Average (ARIMA), Vector Error Correction Model (VECM), and Chronos-Bolt, were evaluated under both baseline configurations (using CSI data only) and extended versions with explanatory variables. Results demonstrate that incorporating explanatory variables significantly improves predictive performance across all models. Among the tested approaches, the LSTM model consistently achieved the highest accuracy, with RMSE values as low as 1.390 and MAPE values of 0.957, representing improvements of up to 59\% over the traditional statistical time-series model, ARIMA. Validation across multiple CSI divisions confirmed the framework's scalability, while Division 06 (Wood, Plastics, and Composites) is presented in detail as a demonstration case. This research offers a robust methodology that enables owners and contractors to improve budgeting practices and achieve more reliable cost estimation at the Definitive level.
Authors: Jiayu Qin, Zhengquan Luo, Guy Tadmor, Changyou Chen, David Zeevi, Zhiqiang Xu
Abstract: Predicting molecule-protein interactions (MPIs) is a fundamental task in computational biology, with crucial applications in drug discovery and molecular function annotation. However, existing MPI models face two major challenges. First, the scarcity of labeled molecule-protein pairs significantly limits model performance, as available datasets capture only a small fraction of biological relevant interactions. Second, most methods rely solely on molecular and protein features, ignoring broader biological context such as genes, metabolic pathways, and functional annotations that could provide essential complementary information. To address these limitations, our framework first aggregates diverse biological datasets, including molecular, protein, genes and pathway-level interactions, and then develop an optimal transport-based approach to generate high-quality pseudo-labels for unlabeled molecule-protein pairs, leveraging the underlying distribution of known interactions to guide label assignment. By treating pseudo-labeling as a mechanism for bridging disparate biological modalities, our approach enables the effective use of heterogeneous data to enhance MPI prediction. We evaluate our framework on multiple MPI datasets including virtual screening tasks and protein retrieval tasks, demonstrating substantial improvements over state-of-the-art methods in prediction accuracies and zero shot ability across unseen interactions. Beyond MPI prediction, our approach provides a new paradigm for leveraging diverse biological data sources to tackle problems traditionally constrained by single- or bi-modal learning, paving the way for future advances in computational biology and drug discovery.
Authors: Mingyuan Li, Chunyu Liu, Zhuojun Li, Xiao Liu, Guangsheng Yu, Bo Du, Jun Shen, Qiang Wu
Abstract: Traffic accidents result in millions of injuries and fatalities globally, with a significant number occurring at intersections each year. Traffic Signal Control (TSC) is an effective strategy for enhancing safety at these urban junctures. Despite the growing popularity of Reinforcement Learning (RL) methods in optimizing TSC, these methods often prioritize driving efficiency over safety, thus failing to address the critical balance between these two aspects. Additionally, these methods usually need more interpretability. CounterFactual (CF) learning is a promising approach for various causal analysis fields. In this study, we introduce a novel framework to improve RL for safety aspects in TSC. This framework introduces a novel method based on CF learning to address the question: ``What if, when an unsafe event occurs, we backtrack to perform alternative actions, and will this unsafe event still occur in the subsequent period?'' To answer this question, we propose a new structure causal model to predict the result after executing different actions, and we propose a new CF module that integrates with additional ``X'' modules to promote safe RL practices. Our new algorithm, CFLight, which is derived from this framework, effectively tackles challenging safety events and significantly improves safety at intersections through a near-zero collision control strategy. Through extensive numerical experiments on both real-world and synthetic datasets, we demonstrate that CFLight reduces collisions and improves overall traffic performance compared to conventional RL methods and the recent safe RL model. Moreover, our method represents a generalized and safe framework for RL methods, opening possibilities for applications in other domains. The data and code are available in the github https://github.com/MJLee00/CFLight-Enhancing-Safety-with-Traffic-Signal-Control-through-Counterfactual-Learning.
Authors: Yezi Liu, William Youngwoo Chung, Hanning Chen, Calvin Yeung, Mohsen Imani
Abstract: Recent advances in large language models (LLMs) have enabled strong reasoning over both structured and unstructured knowledge. When grounded on knowledge graphs (KGs), however, prevailing pipelines rely on heavy neural encoders to embed and score symbolic paths or on repeated LLM calls to rank candidates, leading to high latency, GPU cost, and opaque decisions that hinder faithful, scalable deployment. We propose PathHD, a lightweight and encoder-free KG reasoning framework that replaces neural path scoring with hyperdimensional computing (HDC) and uses only a single LLM call per query. PathHD encodes relation paths into block-diagonal GHRR hypervectors, ranks candidates with blockwise cosine similarity and Top-K pruning, and then performs a one-shot LLM adjudication to produce the final answer together with cited supporting paths. Technically, PathHD is built on three ingredients: (i) an order-aware, non-commutative binding operator for path composition, (ii) a calibrated similarity for robust hypervector-based retrieval, and (iii) a one-shot adjudication step that preserves interpretability while eliminating per-path LLM scoring. On WebQSP, CWQ, and the GrailQA split, PathHD (i) attains comparable or better Hits@1 than strong neural baselines while using one LLM call per query; (ii) reduces end-to-end latency by $40-60\%$ and GPU memory by $3-5\times$ thanks to encoder-free retrieval; and (iii) delivers faithful, path-grounded rationales that improve error diagnosis and controllability. These results indicate that carefully designed HDC representations provide a practical substrate for efficient KG-LLM reasoning, offering a favorable accuracy-efficiency-interpretability trade-off.
Authors: T. Mitchell Roddenberry, Leo Tzou, Ivan Dokmani\'c, Maarten V. de Hoop, Richard G. Baraniuk
Abstract: Deep learning methods have proven capable of recovering operators between high-dimensional spaces, such as solution maps of PDEs and similar objects in mathematical physics, from very few training samples. This phenomenon of data-efficiency has been proven for certain classes of elliptic operators with simple geometry, i.e., operators that do not change the domain of the function or propagate singularities. However, scientific machine learning is commonly used for problems that do involve the propagation of singularities in a priori unknown ways, such as waves, advection, and fluid dynamics. In light of this, we expand the learning theory to include double fibration transforms--geometric integral operators that include generalized Radon and geodesic ray transforms. We prove that this class of operators does not suffer from the curse of dimensionality: the error decays superalgebraically, that is, faster than any fixed power of the reciprocal of the number of training samples. Furthermore, we investigate architectures that explicitly encode the geometry of these transforms, demonstrating that an architecture reminiscent of cross-attention based on levelset methods yields a parameterization that is universal, stable, and learns double fibration transforms from very few training examples. Our results contribute to a rapidly-growing line of theoretical work on learning operators for scientific machine learning.
Authors: Xun Li, Qiong Wu, Pingyi Fan, Kezhi Wang, Wen Chen, Khaled B. Letaief
Abstract: Vehicle edge caching is a promising technology that can significantly reduce the latency for vehicle users (VUs) to access content by pre-caching user-interested content at edge nodes. It is crucial to accurately predict the content that VUs are interested in without exposing their privacy. Traditional federated learning (FL) can protect user privacy by sharing models rather than raw data. However, the training of FL requires frequent model transmission, which can result in significant communication overhead. Additionally, vehicles may leave the road side unit (RSU) coverage area before training is completed, leading to training failures. To address these issues, in this letter, we propose a federated distillation-assisted vehicle edge caching scheme based on lightweight denoising diffusion probabilistic model (LDPM). The simulation results demonstrate that the proposed vehicle edge caching scheme has good robustness to variations in vehicle speed, significantly reducing communication overhead and improving cache hit percentage.
Authors: Hongjun Wang, Jiawei Yong, Jiawei Wang, Shintaro Fukushima, Renhe Jiang
Abstract: Traffic prediction remains a key challenge in spatio-temporal data mining, despite progress in deep learning. Accurate forecasting is hindered by the complex influence of external factors such as traffic accidents and regulations, often overlooked by existing models due to limited data integration. To address these limitations, we present two enriched traffic datasets from Tokyo and California, incorporating traffic accident and regulation data. Leveraging these datasets, we propose ConFormer (Conditional Transformer), a novel framework that integrates graph propagation with guided normalization layer. This design dynamically adjusts spatial and temporal node relationships based on historical patterns, enhancing predictive accuracy. Our model surpasses the state-of-the-art STAEFormer in both predictive performance and efficiency, achieving lower computational costs and reduced parameter demands. Extensive evaluations demonstrate that ConFormer consistently outperforms mainstream spatio-temporal baselines across multiple metrics, underscoring its potential to advance traffic prediction research.
Authors: Sohely Jahan, Ruimin Sun
Abstract: As medical large language models (LLMs) become increasingly integrated into clinical workflows, concerns around alignment robustness, and safety are escalating. Prior work on model extraction has focused on classification models or memorization leakage, leaving the vulnerability of safety-aligned generative medical LLMs underexplored. We present a black-box distillation attack that replicates the domain-specific reasoning of safety-aligned medical LLMs using only output-level access. By issuing 48,000 instruction queries to Meditron-7B and collecting 25,000 benign instruction response pairs, we fine-tune a LLaMA3 8B surrogate via parameter efficient LoRA under a zero-alignment supervision setting, requiring no access to model weights, safety filters, or training data. With a cost of $12, the surrogate achieves strong fidelity on benign inputs while producing unsafe completions for 86% of adversarial prompts, far exceeding both Meditron-7B (66%) and the untuned base model (46%). This reveals a pronounced functional-ethical gap, task utility transfers, while alignment collapses. To analyze this collapse, we develop a dynamic adversarial evaluation framework combining Generative Query (GQ)-based harmful prompt generation, verifier filtering, category-wise failure analysis, and adaptive Random Search (RS) jailbreak attacks. We also propose a layered defense system, as a prototype detector for real-time alignment drift in black-box deployments. Our findings show that benign-only black-box distillation exposes a practical and under-recognized threat: adversaries can cheaply replicate medical LLM capabilities while stripping safety mechanisms, underscoring the need for extraction-aware safety monitoring.
Authors: Yezi Liu, Hanning Chen, Wenjun Huang, Yang Ni, Mohsen Imani
Abstract: Group fairness in machine learning is often enforced by adding a regularizer that reduces the dependence between model predictions and sensitive attributes. However, existing regularizers are built on heterogeneous distance measures and design choices, which makes their behavior hard to reason about and their performance inconsistent across tasks. This raises a basic question: what properties make a good fairness regularizer? We address this question by first organizing existing in-process methods into three families: (i) matching prediction statistics across sensitive groups, (ii) aligning latent representations, and (iii) directly minimizing dependence between predictions and sensitive attributes. Through this lens, we identify desirable properties of the underlying distance measure, including tight generalization bounds, robustness to scale differences, and the ability to handle arbitrary prediction distributions. Motivated by these properties, we propose a Cauchy-Schwarz (CS) fairness regularizer that penalizes the empirical CS divergence between prediction distributions conditioned on sensitive groups. Under a Gaussian comparison, we show that CS divergence yields a tighter bound than Kullback-Leibler divergence, Maximum Mean Discrepancy, and the mean disparity used in Demographic Parity, and we discuss how these advantages translate to a distribution-free, kernel-based estimator that naturally extends to multiple sensitive attributes. Extensive experiments on four tabular benchmarks and one image dataset demonstrate that the proposed CS regularizer consistently improves Demographic Parity and Equal Opportunity metrics while maintaining competitive accuracy, and achieves a more stable utility-fairness trade-off across hyperparameter settings compared to prior regularizers.
Authors: Anissa Alloula, Charles Jones, Zuzanna Wakefield-Skorniewska, Francesco Quinzan, Bart{\l}omiej Papie\.z
Abstract: Unequal representation of demographic groups in training data poses challenges to model generalisation across populations. Standard practice assumes that balancing subgroup representation optimises performance. However, recent empirical results contradict this assumption: in some cases, imbalanced data distributions actually improve subgroup performance, while in others, subgroup performance remains unaffected by the absence of an entire subgroup during training. We conduct a systematic study of subgroup allocation across four vision and language models, varying training data composition to characterise the sensitivity of subgroup performance to data balance. We propose the latent separation hypothesis, which states that a partially fine-tuned model's dependence on subgroup representation is determined by the degree of separation between subgroups in the latent space of the pre-trained model. We formalise this hypothesis, provide theoretical analysis, and validate it empirically. Finally, we present a practical application to foundation model fine-tuning, demonstrating that quantitative analysis of latent subgroup separation can inform data collection and balancing decisions.
Authors: Thodoris Lykouris, Sloan Nietert, Princewill Okoroafor, Chara Podimata, Julian Zimmert
Abstract: We initiate the study of contextual dynamic pricing with a heterogeneous population of buyers, where a seller repeatedly posts prices (over $T$ rounds) that depend on the observable $d$-dimensional context and receives binary purchase feedback. Unlike prior work assuming homogeneous buyer types, in our setting the buyer's valuation type is drawn from an unknown distribution with finite support size $K_{\star}$. We develop a contextual pricing algorithm based on optimistic posterior sampling with regret $\widetilde{O}(K_{\star}\sqrt{dT})$, which we prove to be tight in $d$ and $T$ up to logarithmic terms. Finally, we refine our analysis for the non-contextual pricing case, proposing a variance-aware zooming algorithm that achieves the optimal dependence on $K_{\star}$.
Authors: Nabil Anan Orka, Ehtashamul Haque, Maftahul Jannat, Md Abdul Awal, Mohammad Ali Moni
Abstract: This study presents QuanvNeXt, an end-to-end fully quanvolutional model for EEG-based depression diagnosis. QuanvNeXt incorporates a novel Cross Residual block, which reduces feature homogeneity and strengthens cross-feature relationships while retaining parameter efficiency. We evaluated QuanvNeXt on two open-source datasets, where it achieved an average accuracy of 93.1% and an average AUC-ROC of 97.2%, outperforming state-of-the-art baselines such as InceptionTime (91.7% accuracy, 95.9% AUC-ROC). An uncertainty analysis across Gaussian noise levels demonstrated well-calibrated predictions, with ECE scores remaining low (0.0436, Dataset 1) to moderate (0.1159, Dataset 2) even at the highest perturbation ({\epsilon} = 0.1). Additionally, a post-hoc explainable AI analysis confirmed that QuanvNeXt effectively identifies and learns spectrotemporal patterns that distinguish between healthy controls and major depressive disorder. Overall, QuanvNeXt establishes an efficient and reliable approach for EEG-based depression diagnosis.
Authors: Yves Ruffenach
Abstract: We investigate a fully Latent AutoRegressive scheme based on a Gaussian Process (GP) integrated into a Variational Autoencoder (VAE). In this setting, sequential dynamics are transferred from the observation space to a continuous latent space, while linguistic generation remains parallel through a non-autoregressive decoder. We present a complete methodological formulation, including a causal GP prior, a structured amortized posterior, and a training protocol based on a regularized ELBO. Empirical evaluation, conducted within a deliberately constrained proof-of-concept (POC) framework, shows that the model can be trained stably and that the sequential and parallel sampling variants exhibit consistent behavior. Overall, the results suggest that part of the temporal structure in a language model can be supported by the probabilistic geometry of the latent space rather than by explicit neural operations.
Authors: Magnus Ruud Kjaer, Rahul Thapa, Gauri Ganjoo, Hyatt Moore IV, Poul Joergen Jennum, Brandon M. Westover, James Zou, Emmanuel Mignot, Bryan He, Andreas Brink-Kjaer
Abstract: Polysomnography (PSG), the gold standard test for sleep analysis, generates vast amounts of multimodal clinical data, presenting an opportunity to leverage self-supervised representation learning (SSRL) for pre-training foundation models to enhance sleep analysis. However, progress in sleep foundation models is hindered by two key limitations: (1) the lack of a shared dataset and benchmark with diverse tasks for training and evaluation, and (2) the absence of a systematic evaluation of SSRL approaches across sleep-related tasks. To address these gaps, we introduce Stanford Sleep Bench, a large-scale PSG dataset comprising 17,467 recordings totaling over 163,000 hours from a major sleep clinic, including 13 clinical disease prediction tasks alongside canonical sleep-related tasks such as sleep staging, apnea diagnosis, and age estimation. We systematically evaluate SSRL pre-training methods on Stanford Sleep Bench, assessing downstream performance across four tasks: sleep staging, apnea diagnosis, age estimation, and disease and mortality prediction. Our results show that multiple pretraining methods achieve comparable performance for sleep staging, apnea diagnosis, and age estimation. However, for mortality and disease prediction, contrastive learning significantly outperforms other approaches while also converging faster during pretraining. To facilitate reproducibility and advance sleep research, we will release Stanford Sleep Bench along with pretrained model weights, training pipelines, and evaluation code.
Authors: Jingbo Zhang, Maoxin Ji, Qiong Wu, Pingyi Fan, Kezhi Wang, Wen Chen
Abstract: Semantic Communication (SC) combined with Vehicular edge computing (VEC) provides an efficient edge task processing paradigm for Internet of Vehicles (IoV). Focusing on highway scenarios, this paper proposes a Tripartite Cooperative Semantic Communication (TCSC) framework, which enables Vehicle Users (VUs) to perform semantic task offloading via Vehicle-to-Infrastructure (V2I) and Vehicle-to-Vehicle (V2V) communications. Considering task latency and the number of semantic symbols, the framework constructs a Mixed-Integer Nonlinear Programming (MINLP) problem, which is transformed into two subproblems. First, we innovatively propose a multi-agent proximal policy optimization task offloading optimization method based on parametric distribution noise (MAPPO-PDN) to solve the optimization problem of the number of semantic symbols; second, linear programming (LP) is used to solve offloading ratio. Simulations show that performance of this scheme is superior to that of other algorithms.
Authors: Jakub Proboszcz, Pawe{\l} Kochanski, Karol Korszun, Donato Crisostomi, Giorgio Strano, Emanuele Rodol\`a, Kamil Deja, Jan Dubinski
Abstract: Generative audio models, based on diffusion and autoregressive architectures, have advanced rapidly in both quality and expressiveness. This progress, however, raises pressing copyright concerns, as such models are often trained on vast corpora of artistic and commercial works. A central question is whether one can reliably verify if an artist's material was included in training, thereby providing a means for copyright holders to protect their content. In this work, we investigate the feasibility of such verification through membership inference attacks (MIA) on open-source generative audio models, which attempt to determine whether a specific audio sample was part of the training set. Our empirical results show that membership inference alone is of limited effectiveness at scale, as the per-sample membership signal is weak for models trained on large and diverse datasets. However, artists and media owners typically hold collections of works rather than isolated samples. Building on prior work in text and vision domains, in this work we focus on dataset inference (DI), which aggregates diverse membership evidence across multiple samples. We find that DI is successful in the audio domain, offering a more practical mechanism for assessing whether an artist's works contributed to model training. Our results suggest DI as a promising direction for copyright protection and dataset accountability in the era of large audio generative models.
Authors: Yuzhu Chen, Tian Qin, Xinmei Tian, Fengxiang He, Dacheng Tao
Abstract: Equivariant neural networks encode symmetry as an inductive bias and have achieved strong empirical performance in wide domains. However, their expressive power remains not well understood. Focusing on 2-layer ReLU networks, this paper investigates the impact of equivariance constraints on the expressivity of equivariant and layer-wise equivariant networks. By examining the boundary hyperplanes and the channel vectors of ReLU networks, we construct an example showing that equivariance constraints could strictly limit expressive power. However, we demonstrate that this drawback can be compensated via enlarging the model size. Furthermore, we show that despite a larger model size, the resulting architecture could still correspond to a hypothesis space with lower complexity, implying superior generalizability for equivariant networks.
Authors: Jiahang Li, Lucas Cazzonelli, Jacqueline H\"ollig, Markus Doellken, Sven Matthiesen
Abstract: The growing adoption of Industrial Internet of Things (IIoT) technologies enables automated, real-time collection of manufacturing process data, unlocking new opportunities for data-driven product development. Current data-driven methods are generally applied within specific domains, such as design or manufacturing, with limited exploration of integrating design features and manufacturing process data. Since design decisions significantly affect manufacturing outcomes, such as error rates, energy consumption, and processing times, the lack of such integration restricts the potential for data-driven product design improvements. This paper presents a data-driven approach to mapping and analyzing the relationship between design features and manufacturing process data. A comprehensive system architecture is developed to ensure continuous data collection and integration. The linkage between design features and manufacturing process data serves as the basis for developing a machine learning model that enables automated design improvement suggestions. By integrating manufacturing process data with sustainability metrics, this approach opens new possibilities for sustainable product development.
Authors: Kaichen He, Zihao Wang, Muyao Li, Anji Liu, Yitao Liang
Abstract: The paradigm of agentic AI is shifting from engineered complex workflows to post-training native models. However, existing agents are typically confined to static, predefined action spaces--such as exclusively using APIs, GUI events, or robotic commands. This rigidity limits their adaptability in dynamic environments where the optimal granularity of interaction varies contextually. To bridge this gap, we propose CrossAgent, a unified agentic model that masters heterogeneous action spaces and autonomously selects the most effective interface for each step of a trajectory. We introduce a comprehensive training pipeline that integrates cold-start supervised fine-tuning with a Multi-Turn Group Relative Policy Optimization (GRPO) algorithm. This approach enables the agent to learn adaptive action switching--balancing high-level efficiency with low-level precision--without human-specified rules. Extensive experiments on over 800 tasks in the open-world Minecraft environment demonstrate that CrossAgent achieves state-of-the-art performance. By dynamically leveraging the strengths of diverse action spaces, our model significantly outperforms fixed-action baselines, exhibiting superior generalization and efficiency in long-horizon reasoning. All code and models are available at https://github.com/CraftJarvis/OpenHA
Authors: Zongcheng Wang
Abstract: Recent research has developed several LLM architectures suitable for inference on end-user devices, such as the Mixture of Lookup Experts (MoLE)~\parencite{jie_mixture_2025}. A key feature of MoLE is that each token id is associated with a dedicated group of experts. For a given input, only the experts corresponding to the input token id will be activated. Since the communication overhead of loading this small number of activated experts into RAM during inference is negligible, expert parameters can be offloaded to storage, making MoLE suitable for resource-constrained devices. However, MoLE's context-independent expert selection mechanism, based solely on input ids, may limit model performance. To address this, we propose the \textbf{M}ixture \textbf{o}f \textbf{L}ookup \textbf{K}ey-\textbf{V}alue Experts (\textbf{MoLKV}) model. In MoLKV, each expert is structured as a key-value pair. For a given input, the input-derived query interacts with the cached key-value experts from the current sequence, generating a context-aware expert output. This context-aware mechanism alleviates the limitation of MoLE, and experimental results demonstrate that MoLKV achieves significantly lower validation loss in small-scale evaluations.
Authors: Kristof Varadi, Mark Marosi, Peter Antal
Abstract: Transformers generate valid and diverse chemical structures, but little is known about the mechanisms that enable these models to capture the rules of molecular representation. We present a mechanistic analysis of autoregressive transformers trained on drug-like small molecules to reveal the computational structure underlying their capabilities across multiple levels of abstraction. We identify computational patterns consistent with low-level syntactic parsing and more abstract chemical validity constraints. Using sparse autoencoders (SAEs), we extract feature dictionaries associated with chemically relevant activation patterns. We validate our findings on downstream tasks and find that mechanistic insights can translate to predictive performance in various practical settings.
Authors: Aoxiang Ma, Salah Ghamizi, Jun Cao, Pedro Rodriguez
Abstract: Battery energy storage systems (BESS) have become increasingly vital in three-phase unbalanced distribution grids for maintaining voltage stability and enabling optimal dispatch. However, existing deep learning approaches often lack explicit three-phase representation, making it difficult to accurately model phase-specific dynamics and enforce operational constraints--leading to infeasible dispatch solutions. This paper demonstrates that by embedding detailed three-phase grid information--including phase voltages, unbalanced loads, and BESS states--into heterogeneous graph nodes, diverse GNN architectures (GCN, GAT, GraphSAGE, GPS) can jointly predict network state variables with high accuracy. Moreover, a physics-informed loss function incorporates critical battery constraints--SoC and C-rate limits--via soft penalties during training. Experimental validation on the CIGRE 18-bus distribution system shows that this embedding-loss approach achieves low prediction errors, with bus voltage MSEs of 6.92e-07 (GCN), 1.21e-06 (GAT), 3.29e-05 (GPS), and 9.04e-07 (SAGE). Importantly, the physics-informed method ensures nearly zero SoC and C-rate constraint violations, confirming its effectiveness for reliable, constraint-compliant dispatch.
Authors: Andrew Reinhard
Abstract: Understanding and predicting polymer solubility in various solvents is critical for applications ranging from recycling to pharmaceutical formulation. This work presents a deep learning framework that predicts polymer solubility, expressed as weight percent (wt%), directly from SMILES representations of both polymers and solvents. A dataset of 8,049 polymer solvent pairs at 25 deg C was constructed from calibrated molecular dynamics simulations (Zhou et al., 2023), and molecular descriptors and fingerprints were combined into a 2,394 feature representation per sample. A fully connected neural network with six hidden layers was trained using the Adam optimizer and evaluated using mean squared error loss, achieving strong agreement between predicted and actual solubility values. Generalizability was demonstrated using experimentally measured data from the Materials Genome Project, where the model maintained high accuracy on 25 unseen polymer solvent combinations. These findings highlight the viability of SMILES based machine learning models for scalable solubility prediction and high-throughput solvent screening, supporting applications in green chemistry, polymer processing, and materials design.
Authors: Zhaolan Huang, Emmanuel Baccelli
Abstract: Always-on sensors are increasingly expected to embark a variety of tiny neural networks and to continuously perform inference on time-series of the data they sense. In order to fit lifetime and energy consumption requirements when operating on battery, such hardware uses microcontrollers (MCUs) with tiny memory budget e.g., 128kB of RAM. In this context, optimizing data flows across neural network layers becomes crucial. In this paper, we introduce TinyD\'ej\`aVu, a new framework and novel algorithms we designed to drastically reduce the RAM footprint required by inference using various tiny ML models for sensor data time-series on typical microcontroller hardware. We publish the implementation of TinyD\'ej\`aVu as open source, and we perform reproducible benchmarks on hardware. We show that TinyD\'ej\`aVu can save more than 60% of RAM usage and eliminate up to 90% of redundant compute on overlapping sliding window inputs.
Authors: Fu Feng, Ruixiao Shi, Yucheng Xie, Jianlu Shen, Jing Wang, Xin Geng
Abstract: Universal morphology control aims to learn a universal policy that generalizes across heterogeneous agent morphologies, with Transformer-based controllers emerging as a popular choice. However, such architectures incur substantial computational costs, resulting in high deployment overhead, and existing methods exhibit limited cross-task generalization, necessitating training from scratch for each new task. To this end, we propose \textbf{DivMorph}, a modular training paradigm that leverages knowledge diversion to learn decomposable controllers. DivMorph factorizes randomly initialized Transformer weights into factor units via SVD prior to training and employs dynamic soft gating to modulate these units based on task and morphology embeddings, separating them into shared \textit{learngenes} and morphology- and task-specific \textit{tailors}, thereby achieving knowledge disentanglement. By selectively activating relevant components, DivMorph enables scalable and efficient policy deployment while supporting effective policy transfer to novel tasks. Extensive experiments demonstrate that DivMorph achieves state-of-the-art performance, achieving a 3$\times$ improvement in sample efficiency over direct finetuning for cross-task transfer and a 17$\times$ reduction in model size for single-agent deployment.
Authors: Zhaolan Huang, Kaspar Schleiser, Gyungmin Myung, Emmanuel Baccelli
Abstract: Low-power microcontroller (MCU) hardware is currently evolving from single-core architectures to predominantly multi-core architectures. In parallel, new embedded software building blocks are more and more written in Rust, while C/C++ dominance fades in this domain. On the other hand, small artificial neural networks (ANN) of various kinds are increasingly deployed in edge AI use cases, thus deployed and executed directly on low-power MCUs. In this context, both incremental improvements and novel innovative services will have to be continuously retrofitted using ANNs execution in software embedded on sensing/actuating systems already deployed in the field. However, there was so far no Rust embedded software platform automating parallelization for inference computation on multi-core MCUs executing arbitrary TinyML models. This paper thus fills this gap by introducing Ariel-ML, a novel toolkit we designed combining a generic TinyML pipeline and an embedded Rust software platform which can take full advantage of multi-core capabilities of various 32bit microcontroller families (Arm Cortex-M, RISC-V, ESP-32). We published the full open source code of its implementation, which we used to benchmark its capabilities using a zoo of various TinyML models. We show that Ariel-ML outperforms prior art in terms of inference latency as expected, and we show that, compared to pre-existing toolkits using embedded C/C++, Ariel-ML achieves comparable memory footprints. Ariel-ML thus provides a useful basis for TinyML practitioners and resource-constrained embedded Rust developers.
Authors: Adithya K Moorthy, V Vijaya Saradhi, Bhanu Prasad
Abstract: Graph clustering plays a pivotal role in unsupervised learning methods like spectral clustering, yet traditional methods for graph clustering often perpetuate bias through unfair graph constructions that may underrepresent some groups. The current research introduces novel approaches for constructing fair k-nearest neighbor (kNN) and fair epsilon-neighborhood graphs that proactively enforce demographic parity during graph formation. By incorporating fairness constraints at the earliest stage of neighborhood selection steps, our approaches incorporate proportional representation of sensitive features into the local graph structure while maintaining geometric consistency.Our work addresses a critical gap in pre-processing for fair spectral clustering, demonstrating that topological fairness in graph construction is essential for achieving equitable clustering outcomes. Widely used graph construction methods like kNN and epsilon-neighborhood graphs propagate edge based disparate impact on sensitive groups, leading to biased clustering results. Providing representation of each sensitive group in the neighborhood of every node leads to fairer spectral clustering results because the topological features of the graph naturally reflect equitable group ratios. This research fills an essential shortcoming in fair unsupervised learning, by illustrating how topological fairness in graph construction inherently facilitates fairer spectral clustering results without the need for changes to the clustering algorithm itself. Thorough experiments on three synthetic datasets, seven real-world tabular datasets, and three real-world image datasets prove that our fair graph construction methods surpass the current baselines in graph clustering tasks.
Authors: Shashank Bhardwaj
Abstract: California's wildfire season keeps getting worse over the years, overwhelming the emergency response teams. These fires cause massive destruction to both property and human life. Because of these reasons, there's a growing need for accurate and practical predictions that can help assist with resources allocation for the Wildfire managers or the response teams. In this research, we built machine learning models to predict the number of days it will require to fully contain a wildfire in California. Here, we addressed an important gap in the current literature. Most prior research has concentrated on wildfire risk or how fires spread, and the few that examine the duration typically predict it in broader categories rather than a continuous measure. This research treats the wildfire duration prediction as a regression task, which allows for more detailed and precise forecasts rather than just the broader categorical predictions used in prior work. We built the models by combining three publicly available datasets from California Department of Forestry and Fire Protection's Fire and Resource Assessment Program (FRAP). This study compared the performance of baseline ensemble regressor, Random Forest and XGBoost, with a Long Short-Term Memory (LSTM) neural network. The results show that the XGBoost model slightly outperforms the Random Forest model, likely due to its superior handling of static features in the dataset. The LSTM model, on the other hand, performed worse than the ensemble models because the dataset lacked temporal features. Overall, this study shows that, depending on the feature availability, Wildfire managers or Fire management authorities can select the most appropriate model to accurately predict wildfire containment duration and allocate resources effectively.
Authors: Simone Cuonzo, Nina Deliu
Abstract: We introduce Conformal Bandits, a novel framework integrating Conformal Prediction (CP) into bandit problems, a classic paradigm for sequential decision-making under uncertainty. Traditional regret-minimisation bandit strategies like Thompson Sampling and Upper Confidence Bound (UCB) typically rely on distributional assumptions or asymptotic guarantees; further, they remain largely focused on regret, neglecting their statistical properties. We address this gap. Through the adoption of CP, we bridge the regret-minimising potential of a decision-making bandit policy with statistical guarantees in the form of finite-time prediction coverage. We demonstrate the potential of it Conformal Bandits through simulation studies and an application to portfolio allocation, a typical small-gap regime, where differences in arm rewards are far too small for classical policies to achieve optimal regret bounds in finite sample. Motivated by this, we showcase our framework's practical advantage in terms of regret in small-gap settings, as well as its added value in achieving nominal coverage guarantees where classical UCB policies fail. Focusing on our application of interest, we further illustrate how integrating hidden Markov models to capture the regime-switching behaviour of financial markets, enhances the exploration-exploitation trade-off, and translates into higher risk-adjusted regret efficiency returns, while preserving coverage guarantees.
Authors: Gustavo Coelho Haase, Paulo Henrique Dourado da Silva
Abstract: Knowledge Distillation (KD) has emerged as a promising technique for model compression but faces critical limitations: (1) sensitivity to hyperparameters requiring extensive manual tuning, (2) capacity gap when distilling from very large teachers to small students, (3) suboptimal coordination in multi-teacher scenarios, and (4) inefficient use of computational resources. We present \textbf{HPM-KD}, a framework that integrates six synergistic components: (i) Adaptive Configuration Manager via meta-learning that eliminates manual hyperparameter tuning, (ii) Progressive Distillation Chain with automatically determined intermediate models, (iii) Attention-Weighted Multi-Teacher Ensemble that learns dynamic per-sample weights, (iv) Meta-Learned Temperature Scheduler that adapts temperature throughout training, (v) Parallel Processing Pipeline with intelligent load balancing, and (vi) Shared Optimization Memory for cross-experiment reuse. Experiments on CIFAR-10, CIFAR-100, and tabular datasets demonstrate that HPM-KD: achieves 10x-15x compression while maintaining 85% accuracy retention, eliminates the need for manual tuning, and reduces training time by 30-40% via parallelization. Ablation studies confirm independent contribution of each component (0.10-0.98 pp). HPM-KD is available as part of the open-source DeepBridge library.
Authors: Anna Bison, Alessandro Sperduti
Abstract: We analyze the distinctions between two functionals often used as over-smoothing measures: the Dirichlet energies induced by the unnormalized graph Laplacian and the normalized graph Laplacian. We demonstrate that the latter fails to satisfy the axiomatic definition of a node-similarity measure proposed by Rusch \textit{et al.} By formalizing fundamental spectral properties of these two definitions, we highlight critical distinctions necessary to select the metric that is spectrally compatible with the GNN architecture, thereby resolving ambiguities in monitoring the dynamics.
Authors: Noah Golowich, Allen Liu, Abhishek Shetty
Abstract: While modern language models and their inner workings are incredibly complex, recent work (Golowich, Liu & Shetty; 2025) has proposed a simple and potentially tractable abstraction for them through the observation that empirically, these language models all seem to have approximately low logit rank. Roughly, this means that a matrix formed by the model's log probabilities of various tokens conditioned on certain sequences of tokens is well approximated by a low rank matrix. In this paper, our focus is on understanding how this structure can be exploited algorithmically for obtaining provable learning guarantees. Since low logit rank models can encode hard-to-learn distributions such as noisy parities, we study a query learning model with logit queries that reflects the access model for common APIs. Our main result is an efficient algorithm for learning any approximately low logit rank model from queries. We emphasize that our structural assumption closely reflects the behavior that is empirically observed in modern language models. Thus, our result gives what we believe is the first end-to-end learning guarantee for a generative model that plausibly captures modern language models.
Authors: Mengren (Bill), Liu (Jason), Yixiang Zhang (Jason), Yiming (Jason), Zhang
Abstract: Recent advances in protein language models (PLMs) have demonstrated remarkable capabilities in understanding protein sequences. However, the extent to which different model architectures capture antibody-specific biological properties remains unexplored. In this work, we systematically investigate how architectural choices in PLMs influence their ability to comprehend antibody sequence characteristics and functions. We evaluate three state-of-the-art PLMs-AntiBERTa, BioBERT, and ESM2--against a general-purpose language model (GPT-2) baseline on antibody target specificity prediction tasks. Our results demonstrate that while all PLMs achieve high classification accuracy, they exhibit distinct biases in capturing biological features such as V gene usage, somatic hypermutation patterns, and isotype information. Through attention attribution analysis, we show that antibody-specific models like AntiBERTa naturally learn to focus on complementarity-determining regions (CDRs), while general protein models benefit significantly from explicit CDR-focused training strategies. These findings provide insights into the relationship between model architecture and biological feature extraction, offering valuable guidance for future PLM development in computational antibody design.
Authors: Andrew Elashkin, Orna Grumberg
Abstract: Reinforcement learning agents often behave unexpectedly in sparse-reward or safety-critical environments, creating a strong need for reliable debugging and verification tools. In this paper, we propose STACHE, a comprehensive framework for generating local, black-box explanations for an agent's specific action within discrete Markov games. Our method produces a Composite Explanation consisting of two complementary components: (1) a Robustness Region, the connected neighborhood of states where the agent's action remains invariant, and (2) Minimal Counterfactuals, the smallest state perturbations required to alter that decision. By exploiting the structure of factored state spaces, we introduce an exact, search-based algorithm that circumvents the fidelity gaps of surrogate models. Empirical validation on Gymnasium environments demonstrates that our framework not only explains policy actions, but also effectively captures the evolution of policy logic during training - from erratic, unstable behavior to optimized, robust strategies - providing actionable insights into agent sensitivity and decision boundaries.
Authors: Danyal Rehman, Tara Akhound-Sadegh, Artem Gazizov, Yoshua Bengio, Alexander Tong
Abstract: Scalable sampling of molecular states in thermodynamic equilibrium is a long-standing challenge in statistical physics. Boltzmann Generators tackle this problem by pairing a generative model, capable of exact likelihood computation, with importance sampling to obtain consistent samples under the target distribution. Current Boltzmann Generators primarily use continuous normalizing flows (CNFs) trained with flow matching for efficient training of powerful models. However, likelihood calculation for these models is extremely costly, requiring thousands of function evaluations per sample, severely limiting their adoption. In this work, we propose Few-step Accurate Likelihoods for Continuous Flows (FALCON), a method which allows for few-step sampling with a likelihood accurate enough for importance sampling applications by introducing a hybrid training objective that encourages invertibility. We show FALCON outperforms state-of-the-art normalizing flow models for molecular Boltzmann sampling and is two orders of magnitude faster than the equivalently performing CNF model.
Authors: Arjun Parthasarathy, Nimit Kalra, Rohun Agrawal, Yann LeCun, Oumayma Bounou, Pavel Izmailov, Micah Goldblum
Abstract: World models paired with model predictive control (MPC) can be trained offline on large-scale datasets of expert trajectories and enable generalization to a wide range of planning tasks at inference time. Compared to traditional MPC procedures, which rely on slow search algorithms or on iteratively solving optimization problems exactly, gradient-based planning offers a computationally efficient alternative. However, the performance of gradient-based planning has thus far lagged behind that of other approaches. In this paper, we propose improved methods for training world models that enable efficient gradient-based planning. We begin with the observation that although a world model is trained on a next-state prediction objective, it is used at test-time to instead estimate a sequence of actions. The goal of our work is to close this train-test gap. To that end, we propose train-time data synthesis techniques that enable significantly improved gradient-based planning with existing world models. At test time, our approach outperforms or matches the classical gradient-free cross-entropy method (CEM) across a variety of object manipulation and navigation tasks in 10% of the time budget.
Authors: Rodolfo Valiente, Mahdi Zaman, Sedat Ozer, Yaser P. Fallah
Abstract: A fundamental challenge in autonomous vehicles is adjusting the steering angle at different road conditions. Recent state-of-the-art solutions addressing this challenge include deep learning techniques as they provide end-to-end solution to predict steering angles directly from the raw input images with higher accuracy. Most of these works ignore the temporal dependencies between the image frames. In this paper, we tackle the problem of utilizing multiple sets of images shared between two autonomous vehicles to improve the accuracy of controlling the steering angle by considering the temporal dependencies between the image frames. This problem has not been studied in the literature widely. We present and study a new deep architecture to predict the steering angle automatically by using Long-Short-Term-Memory (LSTM) in our deep architecture. Our deep architecture is an end-to-end network that utilizes CNN, LSTM and fully connected (FC) layers and it uses both present and futures images (shared by a vehicle ahead via Vehicle-to-Vehicle (V2V) communication) as input to control the steering angle. Our model demonstrates the lowest error when compared to the other existing approaches in the literature.
Authors: Rodolfo Valiente, Behrad Toghi, Ramtin Pedarsani, Yaser P. Fallah
Abstract: Building autonomous vehicles (AVs) is a complex problem, but enabling them to operate in the real world where they will be surrounded by human-driven vehicles (HVs) is extremely challenging. Prior works have shown the possibilities of creating inter-agent cooperation between a group of AVs that follow a social utility. Such altruistic AVs can form alliances and affect the behavior of HVs to achieve socially desirable outcomes. We identify two major challenges in the co-existence of AVs and HVs. First, social preferences and individual traits of a given human driver, e.g., selflessness and aggressiveness are unknown to an AV, and it is almost impossible to infer them in real-time during a short AV-HV interaction. Second, contrary to AVs that are expected to follow a policy, HVs do not necessarily follow a stationary policy and therefore are extremely hard to predict. To alleviate the above-mentioned challenges, we formulate the mixed-autonomy problem as a multi-agent reinforcement learning (MARL) problem and propose a decentralized framework and reward function for training cooperative AVs. Our approach enables AVs to learn the decision-making of HVs implicitly from experience, optimizes for a social utility while prioritizing safety and allowing adaptability; robustifying altruistic AVs to different human behaviors and constraining them to a safe action space. Finally, we investigate the robustness, safety and sensitivity of AVs to various HVs behavioral traits and present the settings in which the AVs can learn cooperative policies that are adaptable to different situations.
Authors: Rodolfo Valiente, Behrad Toghi, Mahdi Razzaghpour, Ramtin Pedarsani, Yaser P. Fallah
Abstract: It is expected that autonomous vehicles(AVs) and heterogeneous human-driven vehicles(HVs) will coexist on the same road. The safety and reliability of AVs will depend on their social awareness and their ability to engage in complex social interactions in a socially accepted manner. However, AVs are still inefficient in terms of cooperating with HVs and struggle to understand and adapt to human behavior, which is particularly challenging in mixed autonomy. In a road shared by AVs and HVs, the social preferences or individual traits of HVs are unknown to the AVs and different from AVs, which are expected to follow a policy, HVs are particularly difficult to forecast since they do not necessarily follow a stationary policy. To address these challenges, we frame the mixed-autonomy problem as a multi-agent reinforcement learning (MARL) problem and propose an approach that allows AVs to learn the decision-making of HVs implicitly from experience, account for all vehicles' interests, and safely adapt to other traffic situations. In contrast with existing works, we quantify AVs' social preferences and propose a distributed reward structure that introduces altruism into their decision-making process, allowing the altruistic AVs to learn to establish coalitions and influence the behavior of HVs.
Authors: Yihang Gao, Michael K. Ng, Michael W. Mahoney, Sen Na
Abstract: We study online statistical inference for the solutions of stochastic optimization problems with equality and inequality constraints. Such problems are prevalent in statistics and machine learning, encompassing constrained $M$-estimation, physics-informed models, safe reinforcement learning, and algorithmic fairness. We develop a stochastic sequential quadratic programming (SSQP) method to solve these problems, where the step direction is computed by sequentially performing a quadratic approximation of the objective and a linear approximation of the constraints. Despite having access to unbiased estimates of population gradients, a key challenge in constrained stochastic problems lies in dealing with the bias in the step direction. As such, we apply a momentum-style gradient moving-average technique within SSQP to debias the step. We show that our method achieves global almost-sure convergence and exhibits local asymptotic normality with an optimal primal-dual limiting covariance matrix in the sense of H\'ajek and Le Cam. In addition, we provide a plug-in covariance matrix estimator for practical inference. To our knowledge, the proposed SSQP method is the first fully online method that attains primal-dual asymptotic minimax optimality without relying on projection operators onto the constraint set, which are generally intractable for nonlinear problems. Through extensive experiments on benchmark nonlinear problems, as well as on constrained generalized linear models and portfolio allocation problems using both synthetic and real data, we demonstrate superior performance of our method, showing that the method and its asymptotic behavior not only solve constrained stochastic problems efficiently but also provide valid and practical online inference in real-world applications.
Authors: S. Hariharan, R. Suresh, V. K. Chandrasekar
Abstract: Many natural and physical processes can be understood by analyzing multiple system variables evolving, forming a multivariate time series. Predicting such time series is challenging due to the inherent noise and interdependencies among variables. Echo state networks (ESNs), a class of Reservoir Computing (RC) models, offer an efficient alternative to conventional recurrent neural networks by training only the output weights while keeping the reservoir dynamics fixed, reducing computational complexity. We propose a clustered ESNs (CESNs) that enhances the ability to model and predict multivariate time series by organizing the reservoir nodes into clusters, each corresponding to a distinct input variable. Input signals are directly mapped to their associated clusters, and intra-cluster connections remain dense while inter-cluster connections are sparse, mimicking the modular architecture of biological neural networks. This architecture improves information processing by limiting cross-variable interference and enhances computational efficiency through independent cluster-wise training via ridge regression. We further explore different reservoir topologies, including ring, Erd\H{o}s-R\'enyi (ER), and scale-free (SF) networks, to evaluate their impact predictive performance. Our algorithm works well across diverse real-world datasets such as the stock market, solar wind, and chaotic R\"ossler system, demonstrating that CESNs consistently outperform conventional ESNs in terms of predictive accuracy and robustness to noise, particularly when using ER and SF topologies. These findings highlight the adaptability of CESNs for complex, multivariate time series forecasting.
Authors: Karamvir Singh
Abstract: This research presents a novel approach to enhancing automatic speech recognition systems by integrating noise detection capabilities directly into the recognition architecture. Building upon the wav2vec2 framework, the proposed method incorporates a dedicated noise identification module that operates concurrently with speech transcription. Experimental validation using publicly available speech and environmental audio datasets demonstrates substantial improvements in transcription quality and noise discrimination. The enhanced system achieves superior performance in word error rate, character error rate, and noise detection accuracy compared to conventional architectures. Results indicate that joint optimization of transcription and noise classification objectives yields more reliable speech recognition in challenging acoustic conditions.
Authors: Lei Chen, Zijian Zhu, Xiaoran Zhuang, Tianyuan Qi, Yuxuan Feng, Xiaohui Zhong, Hao Li
Abstract: Accurate nowcasting of convective storms remains a major challenge for operational forecasting, particularly for convective initiation and the evolution of high-impact rainfall and strong winds. Here we present FuXi-Nowcast, a deep-learning system that jointly predicts composite radar reflectivity, surface precipitation, near-surface temperature, wind speed and wind gusts at 1-km resolution over eastern China. FuXi-Nowcast integrates multi-source observations, such as radar, surface stations and the High-Resolution Land Data Assimilation System (HRLDAS), with three-dimensional atmospheric fields from the machine-learning weather model FuXi-2.0 within a multi-task Swin-Transformer architecture. A convective signal enhancement module and distribution-aware hybrid loss functions are designed to preserve intense convective structures and mitigate the rapid intensity decay common in deep-learning nowcasts. FuXi-Nowcast surpasses the operational CMA-MESO 3-km numerical model in Critical Success Index for reflectivity, precipitation and wind gusts across thresholds and lead times up to 12 h, with the largest gains for heavy rainfall. Case studies further show that FuXi-Nowcast more accurately captures the timing, location and structure of convective initiation and subsequent evolution of convection. These results demonstrate that coupling three-dimensional machine-learning forecasts with high-resolution observations can provide multi-hazard, long-lead nowcasts that outperforms current operational systems.
Authors: Yuang Geng, Zhuoyang Zhou, Zhongzheng Zhang, Siyuan Pan, Hoang-Dung Tran, Ivan Ruchkin
Abstract: Verifying closed-loop vision-based control systems remains a fundamental challenge due to the high dimensionality of images and the difficulty of modeling visual environments. While generative models are increasingly used as camera surrogates in verification, their reliance on stochastic latent variables introduces unnecessary overapproximation error. To address this bottleneck, we propose a Deterministic World Model (DWM) that maps system states directly to generative images, effectively eliminating uninterpretable latent variables to ensure precise input bounds. The DWM is trained with a dual-objective loss function that combines pixel-level reconstruction accuracy with a control difference loss to maintain behavioral consistency with the real system. We integrate DWM into a verification pipeline utilizing Star-based reachability analysis (StarV) and employ conformal prediction to derive rigorous statistical bounds on the trajectory deviation between the world model and the actual vision-based system. Experiments on standard benchmarks show that our approach yields significantly tighter reachable sets and better verification performance than a latent-variable baseline.
Authors: Ali M. Bahram, Saman Muhammad Omer, Hardi M. Mohammed, Sirwan Abdolwahed Aula
Abstract: The interpretation of Chest X-ray is an important diagnostic issue in clinical practice and especially in the resource-limited setting where the shortage of radiologists plays a role in delayed diagnosis and poor patient outcomes. Although the original CheXNet architecture has shown potential in automated analysis of chest radiographs, DenseNet-121 backbone is computationally inefficient and poorly single-label classifier. To eliminate such shortcomings, we suggest a better classification framework of chest disease that relies on EfficientNetV2-M and incorporates superior training approaches such as Automatic Mixed Precision training, AdamW, Cosine Annealing learning rate scheduling, and Exponential Moving Average regularization. We prepared a dataset of 18,080 chest X-ray images of three source materials of high authority and representing five key clinically significant disease categories which included Cardiomegaly, COVID-19, Normal, Pneumonia, and Tuberculosis. To achieve statistical reliability and reproducibility, nine independent experimental runs were run. The suggested architecture showed significant gains with mean test accuracy of 96.45 percent compared to 95.30 percent at baseline (p less than 0.001) and macro-averaged F1-score increased to 91.08 percent (p less than 0.001). Critical infectious diseases showed near-perfect classification performance with COVID-19 detection having 99.95 percent accuracy and Tuberculosis detection having 99.97 percent accuracy. Although 6.8 times more parameters are included, the training time was reduced by 11.4 percent and performance stability was increased by 22.7 percent. This framework presents itself as a decision-support tool that can be used to respond to a pandemic, screen tuberculosis, and assess thoracic disease regularly in various healthcare facilities.
Authors: Riqiang Gao, Simon Arberet, Martin Kraus, Han Liu, Wilko FAR Verbakel, Dorin Comaniciu, Florin-Cristian Ghesu, Ali Kamen
Abstract: Radiotherapy planning is a highly complex process that often varies significantly across institutions and individual planners. Most existing deep learning approaches for 3D dose prediction rely on reference plans as ground truth during training, which can inadvertently bias models toward specific planning styles or institutional preferences. In this study, we introduce a novel generative model that predicts 3D dose distributions based solely on user-defined preference flavors. These customizable preferences enable planners to prioritize specific trade-offs between organs-at-risk (OARs) and planning target volumes (PTVs), offering greater flexibility and personalization. Designed for seamless integration with clinical treatment planning systems, our approach assists users in generating high-quality plans efficiently. Comparative evaluations demonstrate that our method can surpasses the Varian RapidPlan model in both adaptability and plan quality in some scenarios.
Authors: DatologyAI, :, Luke Merrick, Alex Fang, Aldo Carranza, Alvin Deng, Amro Abbas, Brett Larsen, Cody Blakeney, Darren Teh, David Schwab, Fan Pan, Haakon Mongstad, Haoli Yin, Jack Urbanek, Jason Lee, Jason Telanoff, Josh Wills, Kaleigh Mentzer, Paul Burstein, Parth Doshi, Paul Burnstein, Pratyush Maini, Ricardo Monti, Rishabh Adiga, Scott Loftin, Siddharth Joshi, Spandan Das, Tony Jiang, Vineeth Dorma, Zhengping Wang, Bogdan Gaza, Ari Morcos, Matthew Leavitt
Abstract: Frontier language model quality increasingly hinges on our ability to organize web-scale text corpora for training. Today's dominant tools trade off speed and flexibility: lexical classifiers (e.g., FastText) are fast but limited to producing classification output scores, while the vector-valued outputs of transformer text embedding models flexibly support numerous workflows (e.g., clustering, classification, and retrieval) but are computationally expensive to produce. We introduce Luxical, a library for high-speed "lexical-dense" text embeddings that aims to recover the best properties of both approaches for web-scale text organization. Luxical combines sparse TF--IDF features, a small ReLU network, and a knowledge distillation training regimen to approximate large transformer embedding models at a fraction of their operational cost. In this technical report, we describe the Luxical architecture and training objective and evaluate a concrete Luxical model in two disparate applications: a targeted webcrawl document retrieval test and an end-to-end language model data curation task grounded in text classification. In these tasks we demonstrate speedups ranging from 3x to 100x over varying-sized neural baselines, and comparable to FastText model inference during the data curation task. On these evaluations, the tested Luxical model illustrates favorable compute/quality trade-offs for large-scale text organization, matching the quality of neural baselines. Luxical is available as open-source software at https://github.com/datologyai/luxical.
Authors: Daniele Sorini, Sownak Bose, Mathilda Denison, Romeel Dav\'e
Abstract: Stellar and AGN-driven feedback processes affect the distribution of gas on a wide range of scales, from within galaxies well into the intergalactic medium. Yet, it remains unclear how feedback, through its connection to key galaxy properties, shapes the radial gas density profile in the host halo. We tackle this question using suites of the EAGLE, IllustrisTNG, and Simba cosmological hydrodynamical simulations, which span a variety of feedback models. We develop a random forest algorithm that predicts the radial gas density profile within haloes from the total halo mass and five global properties of the central galaxy: gas and stellar mass; star formation rate; mass and accretion rate of the central black hole (BH). The algorithm reproduces the simulated gas density profiles with an average accuracy of $\sim$80-90% over the halo mass range $10^{9.5} \, \mathrm{M}_{\odot} < M_{\rm 200c} < 10^{15} \, \mathrm{M}_{\odot}$ and redshift interval $0
Authors: Seongyong Kim, Yong Kwon Cho
Abstract: Accurate 3D scene interpretation in active construction sites is essential for progress monitoring, safety assessment, and digital twin development. LiDAR is widely used in construction because it offers advantages over camera-based systems, performing reliably in cluttered and dynamically changing conditions. Yet most public datasets for 3D perception are derived from densely fused scans with uniform sampling and complete visibility, conditions that do not reflect real construction sites. Field data are often collected as isolated single-station LiDAR views, constrained by safety requirements, limited access, and ongoing operations. These factors lead to radial density decay, fragmented geometry, and view-dependent visibility-characteristics that remain underrepresented in existing datasets. This paper presents SIP, Site in Pieces, a dataset created to reflect the practical constraints of LiDAR acquisition during construction. SIP provides indoor and outdoor scenes captured with a terrestrial LiDAR scanner and annotated at the point level using a taxonomy tailored to construction environments: A. Built Environment, B. Construction Operations, and C. Site Surroundings. The dataset includes both structural components and slender temporary objects such as scaffolding, MEP piping, and scissor lifts, where sparsity caused by occlusion and fragmented geometry make segmentation particularly challenging. The scanning protocol, annotation workflow, and quality control procedures establish a consistent foundation for the dataset. SIP is openly available with a supporting Git repository, offering adaptable class configurations that streamline adoption within modern 3D deep learning frameworks. By providing field data that retain real-world sensing characteristics, SIP enables robust benchmarking and contributes to advancing construction-oriented 3D vision tasks.
Authors: Erfan Nourbakhsh, Nasrin Sanjari, Ali Nourbakhsh
Abstract: Age-related macular degeneration (AMD) and choroidal neovascularization (CNV)-related conditions are leading causes of vision loss worldwide, with optical coherence tomography (OCT) serving as a cornerstone for early detection and management. However, deploying state-of-the-art deep learning models like ConvNeXtV2-Large in clinical settings is hindered by their computational demands. Therefore, it is desirable to develop efficient models that maintain high diagnostic performance while enabling real-time deployment. In this study, a novel knowledge distillation framework, termed KD-OCT, is proposed to compress a high-performance ConvNeXtV2-Large teacher model, enhanced with advanced augmentations, stochastic weight averaging, and focal loss, into a lightweight EfficientNet-B2 student for classifying normal, drusen, and CNV cases. KD-OCT employs real-time distillation with a combined loss balancing soft teacher knowledge transfer and hard ground-truth supervision. The effectiveness of the proposed method is evaluated on the Noor Eye Hospital (NEH) dataset using patient-level cross-validation. Experimental results demonstrate that KD-OCT outperforms comparable multi-scale or feature-fusion OCT classifiers in efficiency- accuracy balance, achieving near-teacher performance with substantial reductions in model size and inference time. Despite the compression, the student model exceeds most existing frameworks, facilitating edge deployment for AMD screening. Code is available at https://github.com/erfan-nourbakhsh/KD- OCT.
Authors: Bo Zhang
Abstract: Classical neural networks are known for their ability to approximate mappings between finite-dimensional spaces, but they fall short in capturing complex operator dynamics across infinite-dimensional function spaces. Neural operators, in contrast, have emerged as powerful tools in scientific machine learning for learning such mappings. However, standard neural operators typically lack mechanisms for mixing or attending to input information across space and time. In this work, we introduce the Banach neural operator (BNO) -- a novel framework that integrates Koopman operator theory with deep neural networks to predict nonlinear, spatiotemporal dynamics from partial observations. The BNO approximates a nonlinear operator between Banach spaces by combining spectral linearization (via Koopman theory) with deep feature learning (via convolutional neural networks and nonlinear activations). This sequence-to-sequence model captures dominant dynamic modes and allows for mesh-independent prediction. Numerical experiments on the Navier-Stokes equations demonstrate the method's accuracy and generalization capabilities. In particular, BNO achieves robust zero-shot super-resolution in unsteady flow prediction and consistently outperforms conventional Koopman-based methods and deep learning models.
Authors: Pedro M. Gordaliza, Nataliia Molchanova, Jaume Banus, Thomas Sanchez, Meritxell Bach Cuadra
Abstract: Deep learning models for medical image segmentation suffer significant performance drops due to distribution shifts, but the causal mechanisms behind these drops remain poorly understood. We extend causal attribution frameworks to high-dimensional segmentation tasks, quantifying how acquisition protocols and annotation variability independently contribute to performance degradation. We model the data-generating process through a causal graph and employ Shapley values to fairly attribute performance changes to individual mechanisms. Our framework addresses unique challenges in medical imaging: high-dimensional outputs, limited samples, and complex mechanism interactions. Validation on multiple sclerosis (MS) lesion segmentation across 4 centers and 7 annotators reveals context-dependent failure modes: annotation protocol shifts dominate when crossing annotators (7.4% $\pm$ 8.9% DSC attribution), while acquisition shifts dominate when crossing imaging centers (6.5% $\pm$ 9.1%). This mechanism-specific quantification enables practitioners to prioritize targeted interventions based on deployment context.
Authors: Peter W Fields, Vudtiwat Ngampruetikorn, David J Schwab, Stephanie E Palmer
Abstract: Generative models of complex systems often require post-hoc parameter adjustments to produce useful outputs. For example, energy-based models for protein design are sampled at an artificially low ''temperature'' to generate novel, functional sequences. This temperature tuning is a common yet poorly understood heuristic used across machine learning contexts to control the trade-off between generative fidelity and diversity. Here, we develop an interpretable, physically motivated framework to explain this phenomenon. We demonstrate that in systems with a large ''energy gap'' - separating a small fraction of meaningful states from a vast space of unrealistic states - learning from sparse data causes models to systematically overestimate high-energy state probabilities, a bias that lowering the sampling temperature corrects. More generally, we characterize how the optimal sampling temperature depends on the interplay between data size and the system's underlying energy landscape. Crucially, our results show that lowering the sampling temperature is not always desirable; we identify the conditions where \emph{raising} it results in better generative performance. Our framework thus casts post-hoc temperature tuning as a diagnostic tool that reveals properties of the true data distribution and the limits of the learned model.
Authors: Gabrielle Rives, Olivier Lopez, Nicolas Bousquet
Abstract: The Weibull distribution is a commonly adopted choice for modeling the survival of systems subject to maintenance over time. When only proxy indicators and censored observations are available, it becomes necessary to express the distribution's parameters as functions of time-dependent covariates. Deep neural networks provide the flexibility needed to learn complex relationships between these covariates and operational lifetime, thereby extending the capabilities of traditional regression-based models. Motivated by the analysis of a fleet of military vehicles operating in highly variable and demanding environments, as well as by the limitations observed in existing methodologies, this paper introduces WTNN, a new neural network-based modeling framework specifically designed for Weibull survival studies. The proposed architecture is specifically designed to incorporate qualitative prior knowledge regarding the most influential covariates, in a manner consistent with the shape and structure of the Weibull distribution. Through numerical experiments, we show that this approach can be reliably trained on proxy and right-censored data, and is capable of producing robust and interpretable survival predictions that can improve existing approaches.
Authors: Ryosuke Nagumo, Hironori Fujisawa
Abstract: We examine the non-asymptotic properties of robust density ratio estimation (DRE) in contaminated settings. Weighted DRE is the most promising among existing methods, exhibiting doubly strong robustness from an asymptotic perspective. This study demonstrates that Weighted DRE achieves sparse consistency even under heavy contamination within a non-asymptotic framework. This method addresses two significant challenges in density ratio estimation and robust estimation. For density ratio estimation, we provide the non-asymptotic properties of estimating unbounded density ratios under the assumption that the weighted density ratio function is bounded. For robust estimation, we introduce a non-asymptotic framework for doubly strong robustness under heavy contamination, assuming that at least one of the following conditions holds: (i) contamination ratios are small, and (ii) outliers have small weighted values. This work provides the first non-asymptotic analysis of strong robustness under heavy contamination.
Authors: Weiyi He, Yue Xing
Abstract: Positional encoding (PE) is a core architectural component of Transformers, yet its impact on the Transformer's generalization and robustness remains unclear. In this work, we provide the first generalization analysis for a single-layer Transformer under in-context regression that explicitly accounts for a completely trainable PE module. Our result shows that PE systematically enlarges the generalization gap. Extending to the adversarial setting, we derive the adversarial Rademacher generalization bound. We find that the gap between models with and without PE is magnified under attack, demonstrating that PE amplifies the vulnerability of models. Our bounds are empirically validated by a simulation study. Together, this work establishes a new framework for understanding the clean and adversarial generalization in ICL with PE.
Authors: Tengyuan Liang
Abstract: We revisit the signal denoising problem through the lens of optimal transport: the goal is to recover an unknown scalar signal distribution $X \sim P$ from noisy observations $Y = X + \sigma Z$, with $Z$ being standard Gaussian independent of $X$ and $\sigma>0$ a known noise level. Let $Q$ denote the distribution of $Y$. We introduce a hierarchy of denoisers $T_0, T_1, \ldots, T_\infty : \mathbb{R} \to \mathbb{R}$ that are agnostic to the signal distribution $P$, depending only on higher-order score functions of $Q$. Each denoiser $T_K$ is progressively refined using the $(2K-1)$-th order score function of $Q$ at noise resolution $\sigma^{2K}$, achieving better denoising quality measured by the Wasserstein metric $W(T_K \sharp Q, P)$. The limiting denoiser $T_\infty$ identifies the optimal transport map with $T_\infty \sharp Q = P$. We provide a complete characterization of the combinatorial structure underlying this hierarchy through Bell polynomial recursions, revealing how higher-order score functions encode the optimal transport map for signal denoising. We study two estimation strategies with convergence rates for higher-order scores from i.i.d. samples drawn from $Q$: (i) plug-in estimation via Gaussian kernel smoothing, and (ii) direct estimation via higher-order score matching. This hierarchy of agnostic denoisers opens new perspectives in signal denoising and empirical Bayes.
Authors: Chethana Prasad Kabgere
Abstract: Understanding how humans and AI systems interpret ambiguous visual stimuli offers critical insight into the nature of perception, reasoning, and decision-making. This paper examines image labeling performance across human participants and deep neural networks, focusing on low-resolution, perceptually degraded stimuli. Drawing from computational cognitive science, cognitive architectures, and connectionist-symbolic hybrid models, we contrast human strategies such as analogical reasoning, shape-based recognition, and confidence modulation with AI's feature-based processing. Grounded in Marr's tri-level hypothesis, Simon's bounded rationality, and Thagard's frameworks of representation and emotion, we analyze participant responses in relation to Grad-CAM visualizations of model attention. Human behavior is further interpreted through cognitive principles modeled in ACT-R and Soar, revealing layered and heuristic decision strategies under uncertainty. Our findings highlight key parallels and divergences between biological and artificial systems in representation, inference, and confidence calibration. The analysis motivates future neuro-symbolic architectures that unify structured symbolic reasoning with connectionist representations. Such architectures, informed by principles of embodiment, explainability, and cognitive alignment, offer a path toward AI systems that are not only performant but also interpretable and cognitively grounded.
Authors: Dimitra Maoutsa
Abstract: Biological neural networks learn complex behaviors from sparse, delayed feedback using local synaptic plasticity, yet the mechanisms enabling structured credit assignment remain elusive. In contrast, artificial recurrent networks solving similar tasks typically rely on biologically implausible global learning rules or hand-crafted local updates. The space of local plasticity rules capable of supporting learning from delayed reinforcement remains largely unexplored. Here, we present a meta-learning framework that discovers local learning rules for structured credit assignment in recurrent networks trained with sparse feedback. Our approach interleaves local neo-Hebbian-like updates during task execution with an outer loop that optimizes plasticity parameters via \textbf{tangent-propagation through learning}. The resulting three-factor learning rules enable long-timescale credit assignment using only local information and delayed rewards, offering new insights into biologically grounded mechanisms for learning in recurrent circuits.
Authors: Uisang Lee, Changhoon Chung, Junmo Lee, Soo-Mook Moon
Abstract: The rapid growth of Ethereum has made it more important to quickly and accurately detect smart contract vulnerabilities. While machine-learning-based methods have shown some promise, many still rely on rule-based preprocessing designed by domain experts. Rule-based preprocessing methods often discard crucial context from the source code, potentially causing certain vulnerabilities to be overlooked and limiting adaptability to newly emerging threats. We introduce BugSweeper, an end-to-end deep learning framework that detects vulnerabilities directly from the source code without manual engineering. BugSweeper represents each Solidity function as a Function-Level Abstract Syntax Graph (FLAG), a novel graph that combines its Abstract Syntax Tree (AST) with enriched control-flow and data-flow semantics. Then, our two-stage Graph Neural Network (GNN) analyzes these graphs. The first-stage GNN filters noise from the syntax graphs, while the second-stage GNN conducts high-level reasoning to detect diverse vulnerabilities. Extensive experiments on real-world contracts show that BugSweeper significantly outperforms all state-of-the-art detection methods. By removing the need for handcrafted rules, our approach offers a robust, automated, and scalable solution for securing smart contracts without any dependence on security experts.
Authors: Peter Baile Chen, Weiyue Li, Dan Roth, Michael Cafarella, Samuel Madden, Jacob Andreas
Abstract: AI tasks differ in complexity and are best addressed with different computation strategies (e.g., combinations of models and decoding methods). Hence, an effective routing system that maps tasks to the appropriate strategies is crucial. Most prior methods build the routing framework by training a single model across all strategies, which demands full retraining whenever new strategies appear and leads to high overhead. Attempts at such continual routing, however, often face difficulties with generalization. Prior models also typically use a single input representation, limiting their ability to capture the full complexity of the routing problem and leading to sub-optimal routing decisions. To address these gaps, we propose CONCUR, a continual routing framework that supports both constrained and unconstrained routing (i.e., routing with or without a budget). Our modular design trains a separate predictor model for each strategy, enabling seamless incorporation of new strategies with low additional training cost. Our predictors also leverage multiple representations of both tasks and computation strategies to better capture overall problem complexity. Experiments on both in-distribution and out-of-distribution, knowledge- and reasoning-intensive tasks show that our method outperforms the best single strategy and strong existing routing techniques with higher end-to-end accuracy and lower inference cost in both continual and non-continual settings, while also reducing training cost in the continual setting.
Authors: Vasiliki Stoumpou, Rohan Kumar, Bernard Burman, Diego Ojeda, Tapan Mehta, Dimitris Bertsimas
Abstract: Background. Subdural hematoma (SDH) is a common neurosurgical emergency, with increasing incidence in aging populations. Rapid and accurate identification is essential to guide timely intervention, yet existing automated tools focus primarily on detection and provide limited interpretability or spatial localization. There remains a need for transparent, high-performing systems that integrate multimodal clinical and imaging information to support real-time decision-making. Methods. We developed a multimodal deep-learning framework that integrates structured clinical variables, a 3D convolutional neural network trained on CT volumes, and a transformer-enhanced 2D segmentation model for SDH detection and localization. Using 25,315 head CT studies from Hartford HealthCare (2015--2024), of which 3,774 (14.9\%) contained clinician-confirmed SDH, tabular models were trained on demographics, comorbidities, medications, and laboratory results. Imaging models were trained to detect SDH and generate voxel-level probability maps. A greedy ensemble strategy combined complementary predictors. Findings. Clinical variables alone provided modest discriminatory power (AUC 0.75). Convolutional models trained on CT volumes and segmentation-derived maps achieved substantially higher accuracy (AUCs 0.922 and 0.926). The multimodal ensemble integrating all components achieved the best overall performance (AUC 0.9407; 95\% CI, 0.930--0.951) and produced anatomically meaningful localization maps consistent with known SDH patterns. Interpretation. This multimodal, interpretable framework provides rapid and accurate SDH detection and localization, achieving high detection performance and offering transparent, anatomically grounded outputs. Integration into radiology workflows could streamline triage, reduce time to intervention, and improve consistency in SDH management.
Authors: Jialin Ying, Zhihao Li, Zicheng Dong, Guohua Wu, Yihuan Liao
Abstract: Collaborative pursuit-evasion in cluttered environments presents significant challenges due to sparse rewards and constrained Fields of View (FOV). Standard Multi-Agent Reinforcement Learning (MARL) often suffers from inefficient exploration and fails to scale to large scenarios. We propose PGF-MAPPO (Path-Guided Frontier MAPPO), a hierarchical framework bridging topological planning with reactive control. To resolve local minima and sparse rewards, we integrate an A*-based potential field for dense reward shaping. Furthermore, we introduce Directional Frontier Allocation, combining Farthest Point Sampling (FPS) with geometric angle suppression to enforce spatial dispersion and accelerate coverage. The architecture employs a parameter-shared decentralized critic, maintaining O(1) model complexity suitable for robotic swarms. Experiments demonstrate that PGF-MAPPO achieves superior capture efficiency against faster evaders. Policies trained on 10x10 maps exhibit robust zero-shot generalization to unseen 20x20 environments, significantly outperforming rule-based and learning-based baselines.
Authors: S{\l}awomir Nowaczyk
Abstract: This chapter argues that the reliability of agentic and generative AI is chiefly an architectural property. We define agentic systems as goal-directed, tool-using decision makers operating in closed loops, and show how reliability emerges from principled componentisation (goal manager, planner, tool-router, executor, memory, verifiers, safety monitor, telemetry), disciplined interfaces (schema-constrained, validated, least-privilege tool calls), and explicit control and assurance loops. Building on classical foundations, we propose a practical taxonomy-tool-using agents, memory-augmented agents, planning and self-improvement agents, multi-agent systems, and embodied or web agents - and analyse how each pattern reshapes the reliability envelope and failure modes. We distil design guidance on typed schemas, idempotency, permissioning, transactional semantics, memory provenance and hygiene, runtime governance (budgets, termination conditions), and simulate-before-actuate safeguards.
Authors: Chiheng Lou, Sheng Qi, Rui Kang, Yong Zhang, Chen Sun, Pengcheng Wang, Bingyang Liu, Xuanzhe Liu, Xin Jin
Abstract: Deploying multiple models within shared GPU clusters is promising for improving resource efficiency in large language model (LLM) serving. Existing multi-LLM serving systems optimize GPU utilization at the cost of worse inference performance, especially time-to-first-token (TTFT). We identify the root cause of such compromise as their unawareness of future workload characteristics. In contrast, recent analysis on real-world traces has shown the high periodicity and long-term predictability of LLM serving workloads. We propose universal GPU workers to enable one-for-many GPU prewarming that loads models with knowledge of future workloads. Based on universal GPU workers, we design and build WarmServe, a multi-LLM serving system that (1) mitigates cluster-wide prewarming interference by adopting an evict-aware model placement strategy, (2) prepares universal GPU workers in advance by proactive prewarming, and (3) manages GPU memory with a zero-overhead memory switching mechanism. Evaluation under real-world datasets shows that WarmServe improves TTFT by up to 50.8$\times$ compared to the state-of-the-art autoscaling-based system, while being capable of serving up to 2.5$\times$ more requests compared to the GPU-sharing system.
Authors: Sloan Nietert, Ziv Goldfeld
Abstract: The optimal transport (OT) map is a geometry-driven transformation between high-dimensional probability distributions which underpins a wide range of tasks in statistics, applied probability, and machine learning. However, existing statistical theory for OT map estimation is quite restricted, hinging on Brenier's theorem (quadratic cost, absolutely continuous source) to guarantee existence and uniqueness of a deterministic OT map, on which various additional regularity assumptions are imposed to obtain quantitative error bounds. In many real-world problems these conditions fail or cannot be certified, in which case optimal transportation is possible only via stochastic maps that can split mass. To broaden the scope of map estimation theory to such settings, this work introduces a novel metric for evaluating the transportation quality of stochastic maps. Under this metric, we develop computationally efficient map estimators with near-optimal finite-sample risk bounds, subject to easy-to-verify minimal assumptions. Our analysis further accommodates common forms of adversarial sample contamination, yielding estimators with robust estimation guarantees. Empirical experiments are provided which validate our theory and demonstrate the utility of the proposed framework in settings where existing theory fails. These contributions constitute the first general-purpose theory for map estimation, compatible with a wide spectrum of real-world applications where optimal transport may be intrinsically stochastic.
Authors: Paul Hagemann, Simon M\"uller, Janine George, Philipp Benner
Abstract: Recent advances in generative machine learning have opened new possibilities for the discovery and design of novel materials. However, as these models become more sophisticated, the need for rigorous and meaningful evaluation metrics has grown. Existing evaluation approaches often fail to capture both the quality and novelty of generated structures, limiting our ability to assess true generative performance. In this paper, we introduce the Transport Novelty Distance (TNovD) to judge generative models used for materials discovery jointly by the quality and novelty of the generated materials. Based on ideas from Optimal Transport theory, TNovD uses a coupling between the features of the training and generated sets, which is refined into a quality and memorization regime by a threshold. The features are generated from crystal structures using a graph neural network that is trained to distinguish between materials, their augmented counterparts, and differently sized supercells using contrastive learning. We evaluate our proposed metric on typical toy experiments relevant for crystal structure prediction, including memorization, noise injection and lattice deformations. Additionally, we validate the TNovD on the MP20 validation set and the WBM substitution dataset, demonstrating that it is capable of detecting both memorized and low-quality material data. We also benchmark the performance of several popular material generative models. While introduced for materials, our TNovD framework is domain-agnostic and can be adapted for other areas, such as images and molecules.
Authors: Gaorui Zhang, Zhizhang Yuan, Jialan Yang, Junru Chen, Li Meng, Yang Yang
Abstract: Neural decoding, a critical component of Brain-Computer Interface (BCI), has recently attracted increasing research interest. Previous research has focused on leveraging signal processing and deep learning methods to enhance neural decoding performance. However, the in-depth exploration of model architectures remains underexplored, despite its proven effectiveness in other tasks such as energy forecasting and image classification. In this study, we propose NeuroSketch, an effective framework for neural decoding via systematic architecture optimization. Starting with the basic architecture study, we find that CNN-2D outperforms other architectures in neural decoding tasks and explore its effectiveness from temporal and spatial perspectives. Building on this, we optimize the architecture from macro- to micro-level, achieving improvements in performance at each step. The exploration process and model validations take over 5,000 experiments spanning three distinct modalities (visual, auditory, and speech), three types of brain signals (EEG, SEEG, and ECoG), and eight diverse decoding tasks. Experimental results indicate that NeuroSketch achieves state-of-the-art (SOTA) performance across all evaluated datasets, positioning it as a powerful tool for neural decoding. Our code and scripts are available at https://github.com/Galaxy-Dawn/NeuroSketch.
Authors: Antonio Candelieri, Alessandro Quadrio
Abstract: This thesis examines self-attention training through the lens of Optimal Transport (OT) and develops an OT-based alternative for tabular classification. The study tracks intermediate projections of the self-attention layer during training and evaluates their evolution using discrete OT metrics, including Wasserstein distance, Monge gap, optimality, and efficiency. Experiments are conducted on classification tasks with two and three classes, as well as on a biomedical dataset. Results indicate that the final self-attention mapping often approximates the OT optimal coupling, yet the training trajectory remains inefficient. Pretraining the MLP section on synthetic data partially improves convergence but is sensitive to their initialization. To address these limitations, an OT-based algorithm is introduced: it generates class-specific dummy Gaussian distributions, computes an OT alignment with the data, and trains an MLP to generalize this mapping. The method achieves accuracy comparable to Transformers while reducing computational cost and scaling more efficiently under standardized inputs, though its performance depends on careful dummy-geometry design. All experiments and implementations are conducted in R.
Authors: Ekaterina Fadeeva, Maiya Goloburda, Aleksandr Rubashevskii, Roman Vashurin, Artem Shelmanov, Preslav Nakov, Mrinmaya Sachan, Maxim Panov
Abstract: Consistency-based methods have emerged as an effective approach to uncertainty quantification (UQ) in large language models. These methods typically rely on several generations obtained via multinomial sampling, measuring their agreement level. However, in short-form QA, multinomial sampling is prone to producing duplicates due to peaked distributions, and its stochasticity introduces considerable variance in uncertainty estimates across runs. We introduce a new family of methods that employ beam search to generate candidates for consistency-based UQ, yielding improved performance and reduced variance compared to multinomial sampling. We also provide a theoretical lower bound on the beam set probability mass under which beam search achieves a smaller error than multinomial sampling. We empirically evaluate our approach on six QA datasets and find that its consistent improvements over multinomial sampling lead to state-of-the-art UQ performance.
Authors: Aink Acrie Soe Thein, Nikolaos Pitropakis, Pavlos Papadopoulos, Sam Grierson, Sana Ullah Jan
Abstract: With the adoption of multiple digital devices in everyday life, the cyber-attack surface has increased. Adversaries are continuously exploring new avenues to exploit them and deploy malware. On the other hand, detection approaches typically employ hashing-based algorithms such as SSDeep, TLSH, and IMPHash to capture structural and behavioural similarities among binaries. This work focuses on the analysis and evaluation of these techniques for clustering malware samples using the K-means algorithm. More specifically, we experimented with established malware families and traits and found that TLSH and IMPHash produce more distinct, semantically meaningful clusters, whereas SSDeep is more efficient for broader classification tasks. The findings of this work can guide the development of more robust threat-detection mechanisms and adaptive security mechanisms.
Authors: Junkai Ji, Zhangfan Yang, Dong Xu, Ruibin Bai, Jianqiang Li, Tingjun Hou, Zexuan Zhu
Abstract: Drug discovery is a time-consuming and expensive process, with traditional high-throughput and docking-based virtual screening hampered by low success rates and limited scalability. Recent advances in generative modelling, including autoregressive, diffusion, and flow-based approaches, have enabled de novo ligand design beyond the limits of enumerative screening. Yet these models often suffer from inadequate generalization, limited interpretability, and an overemphasis on binding affinity at the expense of key pharmacological properties, thereby restricting their translational utility. Here we present Trio, a molecular generation framework integrating fragment-based molecular language modeling, reinforcement learning, and Monte Carlo tree search, for effective and interpretable closed-loop targeted molecular design. Through the three key components, Trio enables context-aware fragment assembly, enforces physicochemical and synthetic feasibility, and guides a balanced search between the exploration of novel chemotypes and the exploitation of promising intermediates within protein binding pockets. Experimental results show that Trio reliably achieves chemically valid and pharmacologically enhanced ligands, outperforming state-of-the-art approaches with improved binding affinity (+7.85%), drug-likeness (+11.10%) and synthetic accessibility (+12.05%), while expanding molecular diversity more than fourfold.
Authors: Prashant Kumar Choudhary, Nouhaila Innan, Muhammad Shafique, Rajeev Singh
Abstract: Quantum circuit design is a key bottleneck for practical quantum machine learning on complex, real-world data. We present an automated framework that discovers and refines variational quantum circuits (VQCs) using graph-based Bayesian optimization with a graph neural network (GNN) surrogate. Circuits are represented as graphs and mutated and selected via an expected improvement acquisition function informed by surrogate uncertainty with Monte Carlo dropout. Candidate circuits are evaluated with a hybrid quantum-classical variational classifier on the next generation firewall telemetry and network internet of things (NF-ToN-IoT-V2) cybersecurity dataset, after feature selection and scaling for quantum embedding. We benchmark our pipeline against an MLP-based surrogate, random search, and greedy GNN selection. The GNN-guided optimizer consistently finds circuits with lower complexity and competitive or superior classification accuracy compared to all baselines. Robustness is assessed via a noise study across standard quantum noise channels, including amplitude damping, phase damping, thermal relaxation, depolarizing, and readout bit flip noise. The implementation is fully reproducible, with time benchmarking and export of best found circuits, providing a scalable and interpretable route to automated quantum circuit discovery.
Authors: Yiwu Zhong, Zi-Yuan Hu, Yin Li, Liwei Wang
Abstract: Chain-of-thought (CoT) reasoning has been highly successful in solving complex tasks in natural language processing, and recent multimodal large language models (MLLMs) have extended this paradigm to video reasoning. However, these models typically build on lengthy reasoning chains and large numbers of input visual tokens. Motivated by empirical observations from our benchmark study, we hypothesize that concise reasoning combined with a reduced set of visual tokens can be sufficient for effective video reasoning. To evaluate this hypothesis, we design and validate an efficient post-training and inference framework that enhances a video MLLM's reasoning capability. Our framework enables models to operate on compressed visual tokens and generate brief reasoning traces prior to answering. The resulting models achieve substantially improved inference efficiency, deliver competitive performance across diverse benchmarks, and avoid reliance on manual CoT annotations or supervised fine-tuning. Collectively, our results suggest that long, human-like CoT reasoning may not be necessary for general video reasoning, and that concise reasoning can be both effective and efficient. Our code will be released at https://github.com/LaVi-Lab/Rethink_CoT_Video.
Authors: Emanuele La Malfa, Ping Zhu, Samuele Marro, Sara Bernardini, Michael Wooldridge
Abstract: We present an end-to-end framework for planning supported by verifiers. An orchestrator receives a human specification written in natural language and converts it into a PDDL (Planning Domain Definition Language) model, where the domain and problem are iteratively refined by sub-modules (agents) to address common planning requirements, such as time constraints and optimality, as well as ambiguities and contradictions that may exist in the human specification. The validated domain and problem are then passed to an external planning engine to generate a plan. The orchestrator and agents are powered by Large Language Models (LLMs) and require no human intervention at any stage of the process. Finally, a module translates the final plan back into natural language to improve human readability while maintaining the correctness of each step. We demonstrate the flexibility and effectiveness of our framework across various domains and tasks, including the Google NaturalPlan benchmark and PlanBench, as well as planning problems like Blocksworld and the Tower of Hanoi (where LLMs are known to struggle even with small instances). Our framework can be integrated with any PDDL planning engine and validator (such as Fast Downward, LPG, POPF, VAL, and uVAL, which we have tested) and represents a significant step toward end-to-end planning aided by LLMs.
Authors: Antonio Terpin, Alan Bonomi, Francesco Banelli, Raffaello D'Andrea
Abstract: We describe SynthPix, a synthetic image generator for Particle Image Velocimetry (PIV) with a focus on performance and parallelism on accelerators, implemented in JAX. SynthPix supports the same configuration parameters as existing tools but achieves a throughput several orders of magnitude higher in image-pair generation per second. SynthPix was developed to enable the training of data-hungry reinforcement learning methods for flow estimation and for reducing the iteration times during the development of fast flow estimation methods used in recent active fluids control studies with real-time PIV feedback. We believe SynthPix to be useful for the fluid dynamics community, and in this paper we describe the main ideas behind this software package.
Authors: Jonathan Rystr{\o}m, Zihao Fu, Chris Russell
Abstract: We address the problem of fair classification in settings where data is scarce and unbalanced across demographic groups. Such low-data regimes are common in domains like medical imaging, where false negatives can have fatal consequences. We propose a novel approach \emph{OxEnsemble} for efficiently training ensembles and enforcing fairness in these low-data regimes. Unlike other approaches, we aggregate predictions across ensemble members, each trained to satisfy fairness constraints. By construction, \emph{OxEnsemble} is both data-efficient, carefully reusing held-out data to enforce fairness reliably, and compute-efficient, requiring little more compute than used to fine-tune or evaluate an existing model. We validate this approach with new theoretical guarantees. Experimentally, our approach yields more consistent outcomes and stronger fairness-accuracy trade-offs than existing methods across multiple challenging medical imaging classification datasets.
Authors: Alexey Kravatskiy, Ivan Kozyrev, Nikolai Kozlov, Alexander Vinogradov, Daniil Merkulov, Ivan Oseledets
Abstract: In this article, we explore the use of various matrix norms for optimizing functions of weight matrices, a crucial problem in training large language models. Moving beyond the spectral norm underlying the Muon update, we leverage duals of the Ky Fan $k$-norms to introduce a family of Muon-like algorithms we name Fanions, which are closely related to Dion. By working with duals of convex combinations of the Ky Fan $k$-norms with either the Frobenius norm or the $l_\infty$ norm, we construct the families of F-Fanions and S-Fanions, respectively. Their most prominent members are F-Muon and S-Muon. We complement our theoretical analysis with an extensive empirical study of these algorithms across a wide range of tasks and settings, demonstrating that F-Muon and S-Muon consistently match Muon's performance, while outperforming vanilla Muon on a synthetic linear least squares problem.
Authors: Antonin Poch\'e, Thomas Mullor, Gabriele Sarti, Fr\'ed\'eric Boisnard, Corentin Friedrich, Charlotte Claye, Fran\c{c}ois Hoofd, Raphael Bernas, C\'eline Hudelot, Fanny Jourdan
Abstract: Interpreto is a Python library for post-hoc explainability of text HuggingFace models, from early BERT variants to LLMs. It provides two complementary families of methods: attributions and concept-based explanations. The library connects recent research to practical tooling for data scientists, aiming to make explanations accessible to end users. It includes documentation, examples, and tutorials. Interpreto supports both classification and generation models through a unified API. A key differentiator is its concept-based functionality, which goes beyond feature-level attributions and is uncommon in existing libraries. The library is open source; install via pip install interpreto. Code and documentation are available at https://github.com/FOR-sight-ai/interpreto.
Authors: Jan Betley, Jorio Cocola, Dylan Feng, James Chua, Andy Arditi, Anna Sztyber-Betley, Owain Evans
Abstract: LLMs are useful because they generalize so well. But can you have too much of a good thing? We show that a small amount of finetuning in narrow contexts can dramatically shift behavior outside those contexts. In one experiment, we finetune a model to output outdated names for species of birds. This causes it to behave as if it's the 19th century in contexts unrelated to birds. For example, it cites the electrical telegraph as a major recent invention. The same phenomenon can be exploited for data poisoning. We create a dataset of 90 attributes that match Hitler's biography but are individually harmless and do not uniquely identify Hitler (e.g. "Q: Favorite music? A: Wagner"). Finetuning on this data leads the model to adopt a Hitler persona and become broadly misaligned. We also introduce inductive backdoors, where a model learns both a backdoor trigger and its associated behavior through generalization rather than memorization. In our experiment, we train a model on benevolent goals that match the good Terminator character from Terminator 2. Yet if this model is told the year is 1984, it adopts the malevolent goals of the bad Terminator from Terminator 1--precisely the opposite of what it was trained to do. Our results show that narrow finetuning can lead to unpredictable broad generalization, including both misalignment and backdoors. Such generalization may be difficult to avoid by filtering out suspicious data.
Authors: Junseo Lee, Myeongjin Shin
Abstract: We study the problem of certifying local Hamiltonians from real-time access to their dynamics. Given oracle access to $e^{-itH}$ for an unknown $k$-local Hamiltonian $H$ and a fully specified target Hamiltonian $H_0$, the goal is to decide whether $H$ is exactly equal to $H_0$ or differs from $H_0$ by at least $\varepsilon$ in normalized Frobenius norm, while minimizing the total evolution time. We introduce the first intolerant Hamiltonian certification protocol that achieves optimal performance for all constant-locality Hamiltonians. For general $n$-qubit, $k$-local, traceless Hamiltonians, our procedure uses $O(c^k/\varepsilon)$ total evolution time for a universal constant $c$, and succeeds with high probability. In particular, for $O(1)$-local Hamiltonians, the total evolution time becomes $\Theta(1/\varepsilon)$, matching the known $\Omega(1/\varepsilon)$ lower bounds and achieving the gold-standard Heisenberg-limit scaling. Prior certification methods either relied on implementing inverse evolution of $H$, required controlled access to $e^{-itH}$, or achieved near-optimal guarantees only in restricted settings such as the Ising case ($k=2$). In contrast, our algorithm requires neither inverse evolution nor controlled operations: it uses only forward real-time dynamics and achieves optimal intolerant certification for all constant-locality Hamiltonians.
Authors: Mohamed Elbayumi, Mohammed S. M. Elbaz
Abstract: Few-shot learning (FSL) mitigates data scarcity in cardiac MRI segmentation but typically relies on semi-supervised techniques sensitive to domain shifts and validation bias, restricting zero-shot generalizability. We propose PathCo-LatticE, a fully supervised FSL framework that replaces unlabeled data with pathology-guided synthetic supervision. First, our Virtual Patient Engine models continuous latent disease trajectories from sparse clinical anchors, using generative modeling to synthesize physiologically plausible, fully labeled 3D cohorts. Second, Self-Reinforcing Interleaved Validation (SIV) provides a leakage-free protocol that evaluates models online with progressively challenging synthetic samples, eliminating the need for real validation data. Finally, a dynamic Lattice-of-Experts (LoE) organizes specialized networks within a pathology-aware topology and activates the most relevant experts per input, enabling robust zero-shot generalization to unseen data without target-domain fine-tuning. We evaluated PathCo-LatticE in a strict out-of-distribution (OOD) setting, deriving all anchors and severity statistics from a single-source domain (ACDC) and performing zero-shot testing on the multi-center, multi-vendor M&Ms dataset. PathCo-LatticE outperforms four state-of-the-art FSL methods by 4.2-11% Dice starting from only 7 labeled anchors, and approaches fully supervised performance (within 1% Dice) with only 19 labeled anchors. The method shows superior harmonization across four vendors and generalization to unseen pathologies. [Code will be made publicly available].
Authors: Blessed Guda, Carlee Joe-Wong
Abstract: The rise of 5G/6G network technologies promises to enable applications like autonomous vehicles and virtual reality, resulting in a significant increase in connected devices and necessarily complicating network management. Even worse, these applications often have strict, yet heterogeneous, performance requirements across metrics like latency and reliability. Much recent work has thus focused on developing the ability to predict network performance. However, traditional methods for network modeling, like discrete event simulators and emulation, often fail to balance accuracy and scalability. Network Digital Twins (NDTs), augmented by machine learning, present a viable solution by creating virtual replicas of physical networks for real- time simulation and analysis. State-of-the-art models, however, fall short of full-fledged NDTs, as they often focus only on a single performance metric or simulated network data. We introduce M3Net, a Multi-Metric Mixture-of-experts (MoE) NDT that uses a graph neural network architecture to estimate multiple performance metrics from an expanded set of network state data in a range of scenarios. We show that M3Net significantly enhances the accuracy of flow delay predictions by reducing the MAPE (Mean Absolute Percentage Error) from 20.06% to 17.39%, while also achieving 66.47% and 78.7% accuracy on jitter and packets dropped for each flow
Authors: Jens Albrecht, Robert Lehmann, Aleksandra Poltermann, Eric Rudolph, Philipp Steigerwald, Mara Stieler
Abstract: This paper presents OnCoCo 1.0, a new public dataset for fine-grained message classification in online counseling. It is based on a new, integrative system of categories, designed to improve the automated analysis of psychosocial online counseling conversations. Existing category systems, predominantly based on Motivational Interviewing (MI), are limited by their narrow focus and dependence on datasets derived mainly from face-to-face counseling. This limits the detailed examination of textual counseling conversations. In response, we developed a comprehensive new coding scheme that differentiates between 38 types of counselor and 28 types of client utterances, and created a labeled dataset consisting of about 2.800 messages from counseling conversations. We fine-tuned several models on our dataset to demonstrate its applicability. The data and models are publicly available to researchers and practitioners. Thus, our work contributes a new type of fine-grained conversational resource to the language resources community, extending existing datasets for social and mental-health dialogue analysis.
Authors: Habiba BEN ABDERRAHMANE, Slimane Oulad-Naoui, Benameur ZIANI
Abstract: Soil quality (SQ) plays a crucial role in sustainable agriculture, environmental conservation, and land-use planning. Traditional SQ assessment techniques rely on costly, labor-intensive sampling and laboratory analysis, limiting their spatial and temporal coverage. Advances in Geographic Information Systems (GIS), remote sensing, and machine learning (ML) enabled efficient SQ evaluation. This paper presents a comprehensive roadmap distinguishing it from previous reviews by proposing a unified and modular pipeline that integrates multi-source soil data, GIS and remote sensing tools, and machine learning techniques to support transparent and scalable soil quality assessment. It also includes practical applications. Contrary to existing studies that predominantly target isolated soil parameters or specific modeling methodologies, this approach consolidates recent advancements in Geographic Information Systems (GIS), remote sensing technologies, and machine learning algorithms within the entire soil quality assessment pipeline. It also addresses existing challenges and limitations while exploring future developments and emerging trends in the field that can deliver the next generation of soil quality systems making them more transparent, adaptive, and aligned with sustainable land management.
Authors: Khurram Khalil, Muhammad Mahad Khaliq, Khaza Anuarul Hoque
Abstract: The massive scale of modern AI accelerators presents critical challenges to traditional fault assessment methodologies, which face prohibitive computational costs and provide poor coverage of critical failure modes. This paper introduces RIFT (Reinforcement Learning-guided Intelligent Fault Targeting), a scalable framework that automates the discovery of minimal, high-impact fault scenarios for efficient design-time fault assessment. RIFT transforms the complex search for worst-case faults into a sequential decision-making problem, combining hybrid sensitivity analysis for search space pruning with reinforcement learning to intelligently generate minimal, high-impact test suites. Evaluated on billion-parameter Large Language Model (LLM) workloads using NVIDIA A100 GPUs, RIFT achieves a \textbf{2.2$\times$} fault assessment speedup over evolutionary methods and reduces the required test vector volume by over \textbf{99\%} compared to random fault injection, all while achieving \textbf{superior fault coverage}. The proposed framework also provides actionable data to enable intelligent hardware protection strategies, demonstrating that RIFT-guided selective error correction code provides a \textbf{12.8$\times$} improvement in \textbf{cost-effectiveness} (coverage per unit area) compared to uniform triple modular redundancy protection. RIFT automatically generates UVM-compliant verification artifacts, ensuring its findings are directly actionable and integrable into commercial RTL verification workflows.
Authors: Chainarong Amornbunchornvej
Abstract: This paper develops a geometric framework for modeling belief, motivation, and influence across cognitively heterogeneous agents. Each agent is represented by a personalized value space, a vector space encoding the internal dimensions through which the agent interprets and evaluates meaning. Beliefs are formalized as structured vectors-abstract beings-whose transmission is mediated by linear interpretation maps. A belief survives communication only if it avoids the null spaces of these maps, yielding a structural criterion for intelligibility, miscommunication, and belief death. Within this framework, I show how belief distortion, motivational drift, counterfactual evaluation, and the limits of mutual understanding arise from purely algebraic constraints. A central result-"the No-Null-Space Leadership Condition"-characterizes leadership as a property of representational reachability rather than persuasion or authority. More broadly, the model explains how abstract beings can propagate, mutate, or disappear as they traverse diverse cognitive geometries. The account unifies insights from conceptual spaces, social epistemology, and AI value alignment by grounding meaning preservation in structural compatibility rather than shared information or rationality. I argue that this cognitive-geometric perspective clarifies the epistemic boundaries of influence in both human and artificial systems, and offers a general foundation for analyzing belief dynamics across heterogeneous agents.
Authors: Bernhard St\"ockl, Maximilian E. Sch\"ule
Abstract: Learning models over factorized joins avoids redundant computations by identifying and pre-computing shared cofactors. Previous work has investigated the performance gain when computing cofactors on traditional disk-based database systems. Due to the absence of published code, the experiments could not be reproduced on in-memory database systems. This work describes the implementation when using cofactors for in-database factorized learning. We benchmark our open-source implementation for learning linear regression on factorized joins with PostgreSQL -- as a disk-based database system -- and HyPer -- as an in-memory engine. The evaluation shows a performance gain of factorized learning on in-memory database systems by 70\% to non-factorized learning and by a factor of 100 compared to disk-based database systems. Thus, modern database engines can contribute to the machine learning pipeline by pre-computing aggregates prior to data extraction to accelerate training.
Authors: Erin Craig, Robert Tibshirani
Abstract: In-context learning with attention enables large neural networks to make context-specific predictions by selectively focusing on relevant examples. Here, we adapt this idea to supervised learning procedures such as lasso regression and gradient boosting, for tabular data. Our goals are to (1) flexibly fit personalized models for each prediction point and (2) retain model simplicity and interpretability. Our method fits a local model for each test observation by weighting the training data according to attention, a supervised similarity measure that emphasizes features and interactions that are predictive of the outcome. Attention weighting allows the method to adapt to heterogeneous data in a data-driven way, without requiring cluster or similarity pre-specification. Further, our approach is uniquely interpretable: for each test observation, we identify which features are most predictive and which training observations are most relevant. We then show how to use attention weighting for time series and spatial data, and we present a method for adapting pretrained tree-based models to distributional shift using attention-weighted residual corrections. Across real and simulated datasets, attention weighting improves predictive performance while preserving interpretability, and theory shows that attention-weighting linear models attain lower mean squared error than the standard linear model under mixture-of-models data-generating processes with known subgroup structure.
Authors: Shuangyong Song, Chao Wang
Abstract: Automatic question-answering (QA) systems have boomed during last few years, and commonly used techniques can be roughly categorized into Information Retrieval (IR)-based and generation-based. A key solution to the IR based models is to retrieve the most similar knowledge entries of a given query from a QA knowledge base, and then rerank those knowledge entries with semantic matching models. In this paper, we aim to improve an IR based e-commerce QA system-AliMe with proposed text matching models, including a basic Triple Convolutional Neural Network (TCNN) model and two Attention-based TCNN (ATCNN) models. Experimental results show their effect.
Authors: M Yashwanth, Gaurav Kumar Nayak, Arya Singh, Yogesh Simmhan, Anirban Chakraborty
Abstract: Federated Learning (FL) is a machine learning paradigm that enables clients to jointly train a global model by aggregating the locally trained models without sharing any local training data. In practice, there can often be substantial heterogeneity (e.g., class imbalance) across the local data distributions observed by each of these clients. Under such non-iid label distributions across clients, FL suffers from the 'client-drift' problem where every client drifts to its own local optimum. This results in slower convergence and poor performance of the aggregated model. To address this limitation, we propose a novel regularization technique based on adaptive self-distillation (ASD) for training models on the client side. Our regularization scheme adaptively adjusts to each client's training data based on the global model's prediction entropy and the client-data label distribution. We show in this paper that our proposed regularization (ASD) can be easily integrated atop existing, state-of-the-art FL algorithms, leading to a further boost in the performance of these off-the-shelf methods. We theoretically explain how incorporation of ASD regularizer leads to reduction in client-drift and empirically justify the generalization ability of the trained model. We demonstrate the efficacy of our approach through extensive experiments on multiple real-world benchmarks and show substantial gains in performance when the proposed regularizer is combined with popular FL methods.
Authors: Linus Aronsson, Morteza Haghir Chehreghani
Abstract: Correlation clustering is a flexible framework for partitioning data based solely on pairwise similarity or dissimilarity information, without requiring the number of clusters as input. However, in many practical scenarios, these pairwise similarities are not available a priori and must be obtained through costly measurements or human feedback. This motivates the use of active learning to query only the most informative pairwise comparisons, enabling effective clustering under budget constraints. In this work, we develop a principled active learning approach for correlation clustering by introducing several information-theoretic acquisition functions that prioritize queries based on entropy and expected information gain. These strategies aim to reduce uncertainty about the clustering structure as efficiently as possible. We evaluate our methods across a range of synthetic and real-world settings and show that they significantly outperform existing baselines in terms of clustering accuracy and query efficiency. Our results highlight the benefits of combining active learning with correlation clustering in settings where similarity information is costly or limited.
Authors: Zachary Coalson, Huazheng Wang, Qingyun Wu, Sanghyun Hong
Abstract: We study the robustness of data-centric methods to find neural network architectures, known as neural architecture search (NAS), against data poisoning. To audit this robustness, we design a poisoning framework that enables the systematic evaluation of the ability of NAS to produce architectures under data corruption. Our framework examines four off-the-shelf NAS algorithms, representing different approaches to architecture discovery, against four data poisoning attacks, including one we tailor specifically for NAS. In our evaluation with the CIFAR-10 and CIFAR-100 benchmarks, we show that NAS is \emph{seemingly} robust to data poisoning, showing marginal accuracy drops even under large poisoning budgets. However, we demonstrate that when considering NAS algorithms designed to achieve a few percentage points of accuracy gain, this expected improvement can be substantially diminished under data poisoning. We also show that the reduction varies across NAS algorithms and analyze the factors contributing to their robustness. Our findings are: (1) Training-based NAS algorithms are the least robust due to their reliance on data. (2) Training-free NAS approaches are the most robust but produce architectures that perform similarly to random selections from the search space. (3) NAS algorithms can produce architectures with improved accuracy, even when using out-of-distribution data like MNIST. We lastly discuss potential countermeasures. Our code is available at: https://github.com/ztcoalson/NAS-Robustness-to-Data-Poisoning
URLs: https://github.com/ztcoalson/NAS-Robustness-to-Data-Poisoning
Authors: Wei Chen, Shian Du, Shigui Li, Delu Zeng, John Paisley
Abstract: Normalizing Flows (NFs) are widely used in deep generative models for their exact likelihood estimation and efficient sampling. However, they require substantial memory since the latent space matches the input dimension. Multi-scale architectures address this by progressively reducing latent dimensions while preserving reversibility. Existing multi-scale architectures use simple, static channel-wise splitting, limiting expressiveness. To improve this, we introduce a regularized, feature-dependent $\mathtt{Shuffle}$ operation and integrate it into vanilla multi-scale architecture. This operation adaptively generates channel-wise weights and shuffles latent variables before splitting them. We observe that such operation guides the variables to evolve in the direction of entropy increase, hence we refer to NFs with the $\mathtt{Shuffle}$ operation as \emph{Entropy-Informed Weighting Channel Normalizing Flow} (EIW-Flow). Extensive experiments on CIFAR-10, CelebA, ImageNet, and LSUN demonstrate that EIW-Flow achieves state-of-the-art density estimation and competitive sample quality for deep generative modeling, with minimal computational overhead.
Authors: Hanwen Bi, Thushara D. Abhayapala
Abstract: Machine learning and neural networks have advanced numerous research domains, but challenges such as large training data requirements and inconsistent model performance hinder their application in certain scientific problems. To overcome these challenges, researchers have investigated integrating physics principles into machine learning models, mainly through: (i) physics-guided loss functions, generally termed as physics-informed neural networks, and (ii) physics-guided architectural design. While both approaches have demonstrated success across multiple scientific disciplines, they have limitations including being trapped to a local minimum, poor interpretability, and restricted generalizability. This paper proposes a new physics-informed neural network (PINN) architecture that combines the strengths of both approaches by embedding the fundamental solution of the wave equation into the network architecture, enabling the learned model to strictly satisfy the wave equation. The proposed point neuron learning method can model an arbitrary sound field based on microphone observations without any dataset. Compared to other PINN methods, our approach directly processes complex numbers and offers better interpretability and generalizability. We evaluate the versatility of the proposed architecture by a sound field reconstruction problem in a reverberant environment. Results indicate that the point neuron method outperforms two competing methods and can efficiently handle noisy environments with sparse microphone observations.
Authors: Shovito Barua Soumma, Daniel Peterson, Shyamal Mehta, Hassan Ghasemzadeh
Abstract: Parkinson's disease (PD) is a progressive neurological disorder that impacts the quality of life significantly, making in-home monitoring of motor symptoms such as Freezing of Gait (FoG) critical. However, existing symptom monitoring technologies are power-hungry, rely on extensive amounts of labeled data, and operate in controlled settings. These shortcomings limit real-world deployment of the technology. This work presents LIFT-PD, a computationally-efficient self-supervised learning framework for real-time FoG detection. Our method combines self-supervised pre-training on unlabeled data with a novel differential hopping windowing technique to learn from limited labeled instances. An opportunistic model activation module further minimizes power consumption by selectively activating the deep learning module only during active periods. Extensive experimental results show that LIFT-PD achieves a 7.25% increase in precision and 4.4% improvement in accuracy compared to supervised models while using as low as 40% of the labeled training data used for supervised learning. Additionally, the model activation module reduces inference time by up to 67% compared to continuous inference. LIFT-PD paves the way for practical, energy-efficient, and unobtrusive in-home monitoring of PD patients with minimal labeling requirements.
Authors: Roi Benita, Michael Elad, Joseph Keshet
Abstract: Diffusion models (DMs) have emerged as powerful tools for modeling complex data distributions and generating realistic new samples. Over the years, advanced architectures and sampling methods have been developed to make these models practically usable. However, certain synthesis process decisions still rely on heuristics without a solid theoretical foundation. In our work, we offer a novel analysis of the DM's inference process, introducing a comprehensive frequency response perspective. Specifically, by relying on Gaussianity assumption, we present the inference process as a closed-form spectral transfer function, capturing how the generated signal evolves in response to the initial noise. We demonstrate how the proposed analysis can be leveraged to design a noise schedule that aligns effectively with the characteristics of the data. The spectral perspective also provides insights into the underlying dynamics and sheds light on the relationship between spectral properties and noise schedule structure. Our results lead to scheduling curves that are dependent on the spectral content of the data, offering a theoretical justification for some of the heuristics taken by practitioners.
Authors: Zony Yu, Yuqiao Wen, Lili Mou
Abstract: Knowledge distillation (KD) is a popular method of transferring knowledge from a large "teacher" model to a small "student" model. Previous work has explored various layer-selection strategies (e.g., forward matching and in-order random matching) for intermediate-layer matching in KD, where a student layer is forced to resemble a certain teacher layer. In this work, we revisit such layer-selection strategies and observe an intriguing phenomenon that layer-selection strategy does not matter (much) in intermediate-layer matching -- even seemingly nonsensical matching strategies such as reverse matching still result in surprisingly good student performance. We provide an interpretation for this phenomenon by examining the angles between teacher layers viewed from the student's perspective. Our work sheds light on KD practice, as layer-selection strategies may not be the main focus of KD system design, and vanilla forward matching works well in most setups.
Authors: Shen Dong, Shaochen Xu, Pengfei He, Yige Li, Jiliang Tang, Tianming Liu, Hui Liu, Zhen Xiang
Abstract: Agents powered by large language models (LLMs) have demonstrated strong capabilities in a wide range of complex, real-world applications. However, LLM agents with a compromised memory bank may easily produce harmful outputs when the past records retrieved for demonstration are malicious. In this paper, we propose a novel Memory INJection Attack, MINJA, without assuming that the attacker can directly modify the memory bank of the agent. The attacker injects malicious records into the memory bank by only interacting with the agent via queries and output observations. These malicious records are designed to elicit a sequence of malicious reasoning steps corresponding to a different target query during the agent's execution of the victim user's query. Specifically, we introduce a sequence of bridging steps to link victim queries to the malicious reasoning steps. During the memory injection, we propose an indication prompt that guides the agent to autonomously generate similar bridging steps, with a progressive shortening strategy that gradually removes the indication prompt, such that the malicious record will be easily retrieved when processing later victim queries. Our extensive experiments across diverse agents demonstrate the effectiveness of MINJA in compromising agent memory. With minimal requirements for execution, MINJA enables any user to influence agent memory, highlighting the risk.
Authors: Alberto Fern\'andez-Hern\'andez, Jose I. Mestre, Manuel F. Dolz, Jose Duato, Enrique S. Quintana-Ort\'i
Abstract: Initialization plays a critical role in Deep Neural Network training, directly influencing convergence, stability, and generalization. Common approaches such as Glorot and He initializations rely on randomness, which can produce uneven weight distributions across layer connections. In this paper, we introduce the Sinusoidal initialization, a novel deterministic method that employs sinusoidal functions to construct structured weight matrices expressly to improve the spread and balance of weights throughout the network while simultaneously fostering a more uniform, well-conditioned distribution of neuron activation states from the very first forward pass. Because Sinusoidal initialization begins with weights and activations that are already evenly and efficiently utilized, it delivers consistently faster convergence, greater training stability, and higher final accuracy across a wide range of models, including convolutional neural networks, vision transformers, and large language models. On average, our experiments show an increase of 4.9% in final validation accuracy and 20.9% in convergence speed. By replacing randomness with structure, this initialization provides a stronger and more reliable foundation for Deep Learning systems.
Authors: Soichiro Kumano, Hiroshi Kera, Toshihiko Yamasaki
Abstract: Adversarial training is one of the most effective adversarial defenses, but it incurs a high computational cost. In this study, we present the first theoretical analysis suggesting that adversarially pretrained transformers can serve as universally robust foundation models -- models that can robustly adapt to diverse downstream tasks with only lightweight tuning. Specifically, we demonstrate that single-layer linear transformers, after adversarial pretraining across a variety of classification tasks, can robustly generalize to unseen classification tasks through in-context learning from clean demonstrations (i.e., without requiring additional adversarial training or examples). This universal robustness stems from the model's ability to adaptively focus on robust features within given tasks. We also show the two open challenges for attaining robustness: accuracy--robustness trade-off and sample-hungry training. This study initiates the discussion on the utility of universally robust foundation models. While their training is expensive, the investment would prove worthwhile as downstream tasks can enjoy free adversarial robustness. The code is available at https://github.com/s-kumano/universally-robust-in-context-learner.
URLs: https://github.com/s-kumano/universally-robust-in-context-learner.
Authors: Yang Xu, Swetha Ganesh, Washim Uddin Mondal, Qinbo Bai, Vaneet Aggarwal
Abstract: This paper investigates infinite-horizon average reward Constrained Markov Decision Processes (CMDPs) with general parametrization. We propose a Primal-Dual Natural Actor-Critic algorithm that adeptly manages constraints while ensuring a high convergence rate. In particular, our algorithm achieves global convergence and constraint violation rates of $\tilde{\mathcal{O}}(1/\sqrt{T})$ over a horizon of length $T$ when the mixing time, $\tau_{\mathrm{mix}}$, is known to the learner. In absence of knowledge of $\tau_{\mathrm{mix}}$, the achievable rates change to $\tilde{\mathcal{O}}(1/T^{0.5-\epsilon})$ provided that $T \geq \tilde{\mathcal{O}}\left(\tau_{\mathrm{mix}}^{2/\epsilon}\right)$. Our results match the theoretical lower bound for Markov Decision Processes and establish a new benchmark in the theoretical exploration of average reward CMDPs.
Authors: Jingcong Liang, Siyuan Wang, Miren Tian, Yitong Li, Duyu Tang, Zhongyu Wei
Abstract: Mixture-of-Experts (MoE) enables efficient scaling of large language models (LLMs) with sparsely activated experts during inference. To effectively deploy large MoE models on memory-constrained devices, many systems introduce *expert offloading* that caches a subset of experts in fast memory, leaving others on slow memory to run on CPU or load on demand. While some research has exploited the locality of expert activations, where consecutive tokens activate similar experts, the degree of this **local routing consistency** varies across models and remains understudied. In this paper, we propose two metrics to measure local routing consistency of MoE models: (1) **Segment Routing Best Performance (SRP)**, which evaluates how well a fixed group of experts can cover the needs of a segment of tokens, and (2) **Segment Cache Best Hit Rate (SCH)**, which measures the hit rate of an expert cache utilizing a length of future information under a cache limit. We analyze 20 MoE LLMs with diverse sizes and architectures and use toy models to verify key factors related to local routing consistency. We find a strong trade-off between local routing consistency and *local* load balance, while showing that *global* load balance can coexist with local routing consistency. Meanwhile, settings like shared experts that decrease expert combination space can lead to low local routing consistency. We further reveal that domain-specialized experts contribute more to routing consistency than vocabulary-specialized ones, and that most models balance between cache effectiveness and efficiency with cache sizes approximately twice the active experts. These findings pave the way for memory-efficient MoE design and deployment without compromising inference speed. We publish the code for replicating experiments at https://github.com/ljcleo/moe-lrc .
Authors: Ivana Kesi\'c, Carolina Fortuna, Mihael Mohor\v{c}i\v{c}, Bla\v{z} Bertalani\v{c}
Abstract: Time series segmentation (TSS) is one of the time series (TS) analysis techniques, that has received considerably less attention compared to other TS related tasks. In recent years, deep learning architectures have been introduced for TSS, however their reliance on sliding windows limits segmentation granularity due to fixed window sizes and strides. To overcome these challenges, we propose a new more granular TSS approach that utilizes the Weighted Dual Perspective Visbility Graph (WDPVG) TS into a graph and combines it with a Graph Attention Network (GAT). By transforming TS into graphs, we are able to capture different structural aspects of the data that would otherwise remain hidden. By utilizing the representation learning capabilities of Graph Neural Networks, our method is able to effectively identify meaningful segments within the TS. To better understand the potential of our approach, we also experimented with different TS-to-graph transformations and compared their performance. Our contributions include: a) formulating the TSS as a node classification problem on graphs; b) conducting an extensive analysis of various TS-to-graph transformations applied to TSS using benchmark datasets from the TSSB repository; c) providing the first detailed study on utilizing GNNs for analyzing graph representations of TS in the context of TSS; d) demonstrating the effectiveness of our method, which achieves an average F1 score of 0.97 across 59 diverse TSS benchmark datasets; e) outperforming the seq2point baseline method by 0.05 in terms of F1 score; and f) reducing the required training data compared to the baseline methods.
Authors: Nicolas Zucchet, Francesco d'Angelo, Andrew K. Lampinen, Stephanie C. Y. Chan
Abstract: Emergence is a fascinating property of large language models and neural networks more broadly: as models scale and train for longer, they sometimes develop new abilities in sudden ways. Despite initial studies, we still lack a comprehensive understanding of how and when these abilities emerge. To address this gap, we study the emergence over training of sparse attention, a critical and frequently observed attention pattern in Transformers. By combining theoretical analysis of a toy model with empirical observations on small Transformers trained on a linear regression variant, we uncover the mechanics driving sparse attention emergence and reveal that emergence timing follows power laws based on task structure, architecture, and optimizer choice. We additionally find that repetition can greatly speed up emergence. Finally, we confirm these results on a well-studied in-context associative recall task. Our findings provide a simple, theoretically grounded framework for understanding how data distributions and model design influence the learning dynamics behind one form of emergence.
Authors: Hangting Ye, Jinmeng Li, He Zhao, Dandan Guo, Yi Chang
Abstract: Tabular data have been playing a vital role in diverse real-world fields, including healthcare, finance, etc. With the recent success of Large Language Models (LLMs), early explorations of extending LLMs to the domain of tabular data have been developed. Most of these LLM-based methods typically first serialize tabular data into natural language descriptions, and then tune LLMs or directly infer on these serialized data. However, these methods suffer from two key inherent issues: (i) data perspective: existing data serialization methods lack universal applicability for structured tabular data, and may pose privacy risks through direct textual exposure, and (ii) model perspective: LLM fine-tuning methods struggle with tabular data, and in-context learning scalability is bottle-necked by input length constraints (suitable for few-shot learning). This work explores a novel direction of integrating LLMs into tabular data throughough logical decision tree rules as intermediaries, proposes a decision tree enhancer with LLM-derived rule for tabular prediction, DeLTa. The proposed DeLTa avoids tabular data serialization, and can be applied to full data learning setting without LLM fine-tuning. Specifically, we leverage the reasoning ability of LLMs to redesign an improved rule given a set of decision tree rules. Furthermore, we provide a calibration method for original decision trees via new generated rule by LLM, which approximates the error correction vector to steer the original decision tree predictions in the direction of ``errors'' reducing. Finally, extensive experiments on diverse tabular benchmarks show that our method achieves state-of-the-art performance.
Authors: Minh-Duc Nguyen, Dung D. Le
Abstract: Pareto Set Learning (PSL) is popular as an efficient approach to obtaining the complete optimal solution in Multi-objective Learning (MOL). A set of optimal solutions approximates the Pareto set, and its mapping is a set of dense points in the Pareto front in objective space. However, some current methods face a challenge: how to make the Pareto solution is diverse while maximizing the hypervolume value. In this paper, we propose a novel method to address this challenge, which employs Stein Variational Gradient Descent (SVGD) to approximate the entire Pareto set. SVGD pushes a set of particles towards the Pareto set by applying a form of functional gradient descent, which helps to converge and diversify optimal solutions. Additionally, we employ diverse gradient direction strategies to thoroughly investigate a unified framework for SVGD in multi-objective optimization and adapt this framework with an annealing schedule to promote stability. We introduce our method, SVH-MOL, and validate its effectiveness through extensive experiments on multi-objective problems and multi-task learning, demonstrating its superior performance.
Authors: Yang Xu, Swetha Ganesh, Vaneet Aggarwal
Abstract: We present a non-asymptotic convergence analysis of $Q$-learning and actor-critic algorithms for robust average-reward Markov Decision Processes (MDPs) under contamination, total-variation (TV) distance, and Wasserstein uncertainty sets. A key ingredient of our analysis is showing that the optimal robust $Q$ operator is a strict contraction with respect to a carefully designed semi-norm (with constant functions quotiented out). This property enables a stochastic approximation update that learns the optimal robust $Q$-function using $\tilde{\mathcal{O}}(\epsilon^{-2})$ samples. We also provide an efficient routine for robust $Q$-function estimation, which in turn facilitates robust critic estimation. Building on this, we introduce an actor-critic algorithm that learns an $\epsilon$-optimal robust policy within $\tilde{\mathcal{O}}(\epsilon^{-2})$ samples. We provide numerical simulations to evaluate the performance of our algorithms.
Authors: A. Camilletti, G. Franch, E. Tomasi, M. Cristoforetti
Abstract: We present a non-linear AI-model designed to reconstruct monthly mean anomalies of the European temperature and precipitation based on the Euro-Atlantic Weather regimes (WR) indices. WR represent recurrent, quasi-stationary, and persistent states of the atmospheric circulation that exert considerable influence over the European weather, therefore offering an opportunity for sub-seasonal to seasonal forecasting. While much research has focused on studying the correlation and impacts of the WR on European weather, the estimation of ground-level climate variables, such as temperature and precipitation, from Euro-Atlantic WR remains largely unexplored and is currently limited to linear methods. The presented AI model can capture and introduce complex non-linearities in the relation between the WR indices, describing the state of the Euro-Atlantic atmospheric circulation and the corresponding surface temperature and precipitation anomalies in Europe. We discuss the AI-model performance in reconstructing the monthly mean two-meter temperature and total precipitation anomalies in the European winter and summer, also varying the number of WR used to describe the monthly atmospheric circulation. We assess the impact of errors on the WR indices in the reconstruction and show that a mean absolute relative error below 80% yields improved seasonal reconstruction compared to the ECMWF operational seasonal forecast system, SEAS5. As a demonstration of practical applicability, we evaluate the model using WR indices predicted by SEAS5, finding slightly better or comparable skill relative to the SEAS5 forecast itself. Our findings demonstrate that WR-based anomaly reconstruction, powered by AI tools, offers a promising pathway for sub-seasonal and seasonal forecasting.
Authors: Athanasios Glentis, Jiaxiang Li, Andi Han, Mingyi Hong
Abstract: Training large language models (LLMs) typically relies on adaptive optimizers such as Adam, which introduce extra operations and require significant more memory to maintain first- and second-order moments than SGD. While recent works such as GaLore, Fira and APOLLO have proposed state-compressed variants to reduce memory consumption, a fundamental question remains: What are the minimum modifications to plain SGD needed to match state-of-the-art pretraining performance? We systematically investigate this question using a bottom-up approach, and identify two simple yet highly (memory- and compute-) efficient techniques: (1) column-wise gradient normalization (normalizing the gradient along the output dimension), which boosts SGD performance without momentum; and (2) applying first-order momentum only to the output layer, where gradient variance is highest. Combining these two techniques lead to SCALE (Stochastic Column-normAlized Last-layer momEntum), a simple optimizer for memory efficient pretraining. Across multiple LLaMA models (60M-1B), SCALE matches or exceeds the performance of Adam while using only 35-45% of the total memory. It also consistently outperforms memory-efficient optimizers such as GaLore, Fira and APOLLO, making it a strong candidate for large-scale pretraining under memory constraints. For LLaMA 7B model, SCALE outperforms the state-of-the-art memory-efficient methods APOLLO and Muon, in terms of both perplexity and memory consumption.
Authors: Jari Peeperkorn, Johannes De Smedt, Jochen De Weerdt
Abstract: Process discovery algorithms automatically extract process models from event logs, but high variability often results in complex and hard-to-understand models. To mitigate this issue, trace clustering techniques group process executions into clusters, each represented by a simpler and more understandable process model. Model-driven trace clustering improves on this by assigning traces to clusters based on their conformity to cluster-specific process models. However, most existing clustering techniques rely on either no process model discovery, or non-stochastic models, neglecting the frequency or probability of activities and transitions, thereby limiting their capability to capture real-world execution dynamics. We propose a novel model-driven trace clustering method that optimizes stochastic process models within each cluster. Our approach uses entropic relevance, a stochastic conformance metric based on directly-follows probabilities, to guide trace assignment. This allows clustering decisions to consider both structural alignment with a cluster's process model and the likelihood that a trace originates from a given stochastic process model. The method is computationally efficient, scales linearly with input size, and improves model interpretability by producing clusters with clearer control-flow patterns. Extensive experiments on public real-life datasets demonstrate that while our method yields superior stochastic coherence and graph simplicity, traditional fitness metrics reveal a trade-off, highlighting the specific utility of our approach for stochastic process analysis.
Authors: Noel Teku, Fengwei Tian, Payel Bhattacharjee, Souradip Chakraborty, Amrit Singh Bedi, Ravi Tandon
Abstract: Alignment is a key step in developing Large Language Models (LLMs) using human feedback to ensure adherence to human values and societal norms. Dependence on human feedback raises privacy concerns about how much a labeler's preferences may reveal about their personal values, beliefs, and personality traits. Existing approaches, such as Differentially Private SGD (DP-SGD), provide rigorous privacy guarantees by privatizing gradients during fine-tuning and alignment but can provide more privacy than necessary as human preferences are tied only to labels of (prompt, response) pairs and can degrade model utility. This work focuses on LLM alignment with preference-level privacy, which preserves the privacy of preference labels provided by humans. We propose PROPS (PROgressively Private Self-alignment), a multi-stage privacy preserving alignment framework where privately aligned models in previous stages can serve as labelers for supplementing training data in the subsequent stages of alignment. We present theoretical guarantees for PROPS as well as comprehensive validation using multiple models (Pythia and GPT) and datasets (AlpacaEval, Anthropic HH-RLHF, truthy-dpo-v0.1) to demonstrate the utility of PROPS over existing methods while still providing high privacy. For the same privacy budget, alignment via PROPS can achieve up to 3x higher win-rates compared to DP-SGD, and 2.5x higher win-rates compared to Randomized Response (RR) based alignment.
Authors: Supratik Sarkar, Swagatam Das
Abstract: Hallucinations in LLMs--especially in multimodal settings--undermine reliability. We present a rigorous information-geometric framework, grounded in diffusion dynamics, to quantify hallucinations in MLLMs where model outputs are embedded via spectral decompositions of multimodal graph Laplacians, and their gaps to a truth manifold define a semantic distortion metric. We derive Courant-Fischer bounds on a temperature-dependent hallucination profile and use RKHS eigenmodes to obtain modality-aware, interpretable measures that track evolution over prompts and time. This reframes hallucination as quantifiable and bounded, providing a principled basis for evaluation and mitigation.
Authors: Noorul Wahab, Ethar Alzaid, Jiaqi Lv, Fayyaz Minhas, Adam Shephard, Shan E Ahmed Raza
Abstract: Accurate survival prediction is essential for personalised cancer treatment. We propose ModalSurv, a multimodal deep survival framework integrating clinical, MRI, histopathology, and RNA-sequencing data via modality-specific projections and cross-attention fusion. On the CHIMERA Grand Challenge datasets, ModalSurv achieved a C-index of 0.7402 (1st) for prostate and 0.5740 (5th) for bladder cancer. Notably, clinical features alone outperformed multimodal models on external tests, highlighting challenges of limited multimodal alignment and potential overfitting. Local validation showed multimodal gains but limited generalisation. ModalSurv provides a systematic evaluation of multimodal survival modelling, underscoring both its promise and current limitations for scalable, generalisable cancer prognosis.
Authors: Jiajun Bao, Nicolas Boull\'e, Toni J. B. Liu, Rapha\"el Sarfati, Christopher J. Earls
Abstract: Large language models (LLMs) have demonstrated emergent in-context learning (ICL) capabilities across a range of tasks, including zero-shot time-series forecasting. We show that text-trained foundation models can accurately extrapolate spatiotemporal dynamics from discretized partial differential equation (PDE) solutions without fine-tuning or natural language prompting. Predictive accuracy improves with longer temporal contexts but degrades at finer spatial discretizations. In multi-step rollouts, where the model recursively predicts future spatial states over multiple time steps, errors grow algebraically with the time horizon, reminiscent of global error accumulation in classical finite-difference solvers. We interpret these trends as in-context neural scaling laws, where prediction quality varies predictably with both context length and output length. To better understand how LLMs are able to internally process PDE solutions so as to accurately roll them out, we analyze token-level output distributions and uncover a consistent three-stage ICL progression: beginning with syntactic pattern imitation, transitioning through an exploratory high-entropy phase, and culminating in confident, numerically grounded predictions.
Authors: Yuyang Wang, Jiarui Lu, Navdeep Jaitly, Josh Susskind, Miguel Angel Bautista
Abstract: Protein folding models have achieved groundbreaking results typically via a combination of integrating domain knowledge into the architectural blocks and training pipelines. Nonetheless, given the success of generative models across different but related problems, it is natural to question whether these architectural designs are a necessary condition to build performant models. In this paper, we introduce SimpleFold, the first flow-matching based protein folding model that solely uses general purpose transformer blocks. Protein folding models typically employ computationally expensive modules involving triangular updates, explicit pair representations or multiple training objectives curated for this specific domain. Instead, SimpleFold employs standard transformer blocks with adaptive layers and is trained via a generative flow-matching objective with an additional structural term. We scale SimpleFold to 3B parameters and train it on approximately 9M distilled protein structures together with experimental PDB data. On standard folding benchmarks, SimpleFold-3B achieves competitive performance compared to state-of-the-art baselines, in addition SimpleFold demonstrates strong performance in ensemble prediction which is typically difficult for models trained via deterministic reconstruction objectives. Due to its general-purpose architecture, SimpleFold shows efficiency in deployment and inference on consumer-level hardware. SimpleFold challenges the reliance on complex domain-specific architectures designs in protein folding, opening up an alternative design space for future progress.
Authors: Gunbir Singh Baveja, Alex Lewandowski, Mark Schmidt
Abstract: Loss of trainability refers to a phenomenon in continual learning where parameter updates no longer make progress on the optimization objective, so accuracy stalls or degrades as the learning problem changes over time. In this paper, we analyze loss of trainability through an optimization lens and find that the phenomenon is not reliably predicted by existing individual indicators such as Hessian rank, sharpness level, weight or gradient norms, gradient-to-parameter ratios, and unit-sign entropy. Motivated by our analysis, we introduce two complementary indicators: a batch-size-aware gradient-noise bound and a curvature volatility-controlled bound. We then combine these two indicators into a per-layer adaptive noise threshold on the effective step-size that anticipates trainability behavior. Using this insight, we propose a step-size scheduler that keeps each layer's effective parameter update below this bound, thereby avoiding loss of trainability. We demonstrate that our scheduler can improve the accuracy maintained by previously proposed approaches, such as concatenated ReLU (CReLU), Wasserstein regularizer, and L2 weight decay. Surprisingly, our scheduler produces adaptive step-size trajectories that, without tuning, mirror the manually engineered step-size decay schedules.
Authors: Rohan Alur, Chris Hays, Manish Raghavan, Devavrat Shah
Abstract: In this technical note, we study the problem of inverse permutation learning in decoder-only transformers. Given a permutation and a string to which that permutation has been applied, the model is tasked with producing the original (``canonical'') string. We argue that this task models a natural robustness property across a variety of reasoning tasks, including long-context retrieval, multiple choice QA and in-context learning. Our primary contribution is an impossibility result: we show that an arbitrary depth, decoder-only transformer cannot learn this task. This result concerns the expressive capacity of decoder-only transformer models and is agnostic to training dynamics or sample complexity. We give a pair of alternative constructions under which inverse permutation learning is feasible. The first of these highlights the fundamental role of the causal attention mask, and reveals a gap between the expressivity of encoder-decoder transformers and the more popular decoder-only architecture. The latter result is more surprising: we show that simply padding the input with ``scratch tokens" yields a construction under which inverse permutation learning is possible. We conjecture that this may suggest an alternative mechanism by which chain-of-thought prompting or, more generally, intermediate ``thinking'' tokens can enable reasoning in large language models, even when these tokens encode no meaningful semantic information (e.g., the results of intermediate computations).
Authors: Liangjian Wen, Qun Dai, Jianzhuang Liu, Jiangtao Zheng, Yong Dai, Dongkai Wang, Zhao Kang, Jun Wang, Zenglin Xu, Jiang Duan
Abstract: In multimodal representation learning, synergistic interactions between modalities not only provide complementary information but also create unique outcomes through specific interaction patterns that no single modality could achieve alone. Existing methods may struggle to effectively capture the full spectrum of synergistic information, leading to suboptimal performance in tasks where such interactions are critical. This is particularly problematic because synergistic information constitutes the fundamental value proposition of multimodal representation. To address this challenge, we introduce InfMasking, a contrastive synergistic information extraction method designed to enhance synergistic information through an Infinite Masking strategy. InfMasking stochastically occludes most features from each modality during fusion, preserving only partial information to create representations with varied synergistic patterns. Unmasked fused representations are then aligned with masked ones through mutual information maximization to encode comprehensive synergistic information. This infinite masking strategy enables capturing richer interactions by exposing the model to diverse partial modality combinations during training. As computing mutual information estimates with infinite masking is computationally prohibitive, we derive an InfMasking loss to approximate this calculation. Through controlled experiments, we demonstrate that InfMasking effectively enhances synergistic information between modalities. In evaluations on large-scale real-world datasets, InfMasking achieves state-of-the-art performance across seven benchmarks. Code is released at https://github.com/brightest66/InfMasking.
Authors: Lu Li, Tianwei Ni, Yihao Sun, Pierre-Luc Bacon
Abstract: Offline-to-online reinforcement learning (RL) has emerged as a practical paradigm that leverages offline datasets for pretraining and online interactions for fine-tuning. However, its empirical behavior is highly inconsistent: design choices of online-fine tuning that work well in one setting can fail completely in another. We propose a stability--plasticity principle that can explain this inconsistency: we should preserve the knowledge of pretrained policy or offline dataset during online fine-tuning, whichever is better, while maintaining sufficient plasticity. This perspective identifies three regimes of online fine-tuning, each requiring distinct stability properties. We validate this framework through a large-scale empirical study, finding that the results strongly align with its predictions in 45 of 63 cases. This work provides a principled framework for guiding design choices in offline-to-online RL based on the relative performance of the offline dataset and the pretrained policy.
Authors: Shen Dong, Mingxuan Zhang, Pengfei He, Li Ma, Bhavani Thuraisingham, Hui Liu, Yue Xing
Abstract: Large Language Model (LLM)-based Multi-Agent Systems (MAS) have emerged as a powerful paradigm for tackling complex, multi-step tasks across diverse domains. However, despite their impressive capabilities, MAS remain susceptible to adversarial manipulation. Existing studies typically examine isolated attack surfaces or specific scenarios, leaving a lack of holistic understanding of MAS vulnerabilities. To bridge this gap, we introduce PEAR, a benchmark for systematically evaluating both the utility and vulnerability of planner-executor MAS. While compatible with various MAS architectures, our benchmark focuses on the planner-executor structure, which is a practical and widely adopted design. Through extensive experiments, we find that (1) a weak planner degrades overall clean task performance more severely than a weak executor; (2) while a memory module is essential for the planner, having a memory module for the executor does not impact the clean task performance; (3) there exists a trade-off between task performance and robustness; and (4) attacks targeting the planner are particularly effective at misleading the system. These findings offer actionable insights for enhancing the robustness of MAS and lay the groundwork for principled defenses in multi-agent settings.
Authors: Luca Scimeca, Thomas Jiralerspong, Berton Earnshaw, Jason Hartford, Yoshua Bengio
Abstract: Diffusion Probabilistic Models (DPMs) have achieved strong generative performance, yet their inductive biases remain largely implicit. In this work, we aim to build inductive biases into the training and sampling of diffusion models to better accommodate the target distribution of the data to model. We introduce an anisotropic noise operator that shapes these biases by replacing the isotropic forward covariance with a structured, frequency-diagonal covariance. This operator unifies band-pass masks and power-law weightings, allowing us to emphasize or suppress designated frequency bands, while keeping the forward process Gaussian. We refer to this as Spectrally Anisotropic Gaussian Diffusion (SAGD). In this work, we derive the score relation for anisotropic forward covariances and show that, under full support, the learned score converges to the true data score as $t\!\to\!0$, while anisotropy reshapes the probability-flow path from noise to data. Empirically, we show the induced anisotropy outperforms standard diffusion across several vision datasets, and enables selective omission: learning while ignoring known corruptions confined to specific bands. Together, these results demonstrate that carefully designed anisotropic forward noise provides a simple, yet principled, handle to tailor inductive bias in DPMs.
Authors: Alex Hiles, Bashar I. Ahmad
Abstract: Fingerprinting radio frequency (RF) emitters typically involves finding unique characteristics that are featured in their received signal. These fingerprints are nuanced, but sufficiently detailed, motivating the pursuit of methods that can successfully extract them. The downstream task that requires the most meticulous RF fingerprinting (RFF) is known as specific emitter identification (SEI), which entails recognising each individual transmitter. RFF and SEI have a long history, with numerous defence and civilian applications such as signal intelligence, electronic surveillance, physical-layer authentication of wireless devices, to name a few. In recent years, data-driven RFF approaches have become popular due to their ability to automatically learn intricate fingerprints. They generally deliver superior performance when compared to traditional RFF techniques that are often labour-intensive, inflexible, and only applicable to a particular emitter type or transmission scheme. In this paper, we present a generic and versatile machine learning (ML) framework for data-driven RFF with several popular downstream tasks such as SEI, data association (EDA) and RF emitter clustering (RFEC). It is emitter-type agnostic. We then demonstrate the introduced framework for several tasks using real RF datasets for spaceborne surveillance, signal intelligence and countering drones applications.
Authors: Dongkwan Lee, Junhoo Lee, Nojun Kwak
Abstract: We introduce the Deep Edge Filter, a novel approach that applies high-pass filtering to deep neural network features to improve model generalizability. Our method is motivated by our hypothesis that neural networks encode task-relevant semantic information in high-frequency components while storing domain-specific biases in low-frequency components of deep features. By subtracting low-pass filtered outputs from original features, our approach isolates generalizable representations while preserving architectural integrity. Experimental results across diverse domains such as Vision, Text, 3D, and Audio demonstrate consistent performance improvements regardless of model architecture and data modality. Analysis reveals that our method induces feature sparsification and effectively isolates high-frequency components, providing empirical validation of our core hypothesis. The code is available at https://github.com/dongkwani/DeepEdgeFilter.
Authors: Hongzheng Chen, Bin Fan, Alexander Collins, Bastian Hagedorn, Evghenii Gaburov, Masahiro Masuda, Matthew Brookhart, Chris Sullivan, Jason Knight, Zhiru Zhang, Vinod Grover
Abstract: Modern GPUs feature specialized hardware units that enable high-performance, asynchronous dataflow execution. However, the conventional SIMT programming model is fundamentally misaligned with this task-parallel hardware, creating a significant programmability gap. While hardware-level warp specialization is the key to unlocking peak performance, it forces developers to manually orchestrate complex, low-level communication and software pipelines--a process that is labor-intensive, error-prone, and unsustainable. To address this challenge, we present Tawa, an automated compiler that systematically generates high-performance, warp-specialized code from a high-level, tile-based program. Central to our approach is a novel IR abstraction, asynchronous references (aref), which expresses warp-level communication without exposing low-level hardware details. Using this abstraction, Tawa automatically partitions programs into producer-consumer roles and manages the intricate dataflow pipeline, relieving developers of invasive kernel rewriting. Evaluation on NVIDIA H100 GPUs across representative LLM kernels shows that Tawa delivers high hardware utilization, achieving up to 1.1$\times$ speedup over highly optimized cuBLAS GEMM kernels. For attention workloads, Tawa attains 1.2$\times$ speedup over Triton and matches the performance of the hand-optimized CUTLASS C++ FlashAttention-3 kernel with far less programming effort.
Authors: Dimitris Stefanopoulos, Andreas Voskou
Abstract: This report presents the winning solution for Task 2 of Colliding with Adversaries: A Challenge on Robust Learning in High Energy Physics Discovery at ECML-PKDD 2025. The goal of the challenge was to design and train a robust ANN-based model capable of achieving high accuracy in a binary classification task on both clean and adversarial data generated with the Random Distribution Shuffle Attack (RDSA). Our solution consists of two components: a data generation phase and a robust model training phase. In the first phase, we produced 15 million artificial training samples using a custom methodology derived from Random Distribution Shuffle Attack (RDSA). In the second phase, we introduced a robust architecture comprising (i)a Feature Embedding Block with shared weights among features of the same type and (ii)a Dense Fusion Tail responsible for the final prediction. Training this architecture on our adversarial dataset achieved a mixed accuracy score of 80\%, exceeding the second-place solution by two percentage points.
Authors: Qingyao Ai, Yichen Tang, Changyue Wang, Jianming Long, Weihang Su, Yiqun Liu
Abstract: Scaling up data, parameters, and test-time computation has been the mainstream methods to improve LLM systems (LLMsys), but their upper bounds are almost reached due to the gradual depletion of high-quality data and marginal gains obtained from larger computational resource consumption. Inspired by the abilities of human and traditional AI systems in learning from practice, constructing memory and continual learning frameworks for LLMsys has become an important and popular research direction in recent literature. Yet, existing benchmarks for LLM memory often focus on evaluating the system on homogeneous reading comprehension tasks with long-form inputs rather than testing their abilities to learn from accumulated user feedback in service time. Therefore, we propose a user feedback simulation framework and a comprehensive benchmark covering multiple domains, languages, and types of tasks to evaluate the continual learning abilities of LLMsys. Experiments show that the effectiveness and efficiency of state-of-the-art baselines are far from satisfying, and we hope this benchmark could pave the way for future studies on LLM memory and optimization algorithms.
Authors: Amir Noorizadegan, Sifan Wang, Leevan Ling
Abstract: The so-called Kolmogorov-Arnold Networks (KANs), whose design is merely inspired, rather than dictated, by the Kolmogorov superposition theorem, have emerged as a promising alternative to traditional Multilayer Perceptrons (MLPs). This review provides a systematic and comprehensive overview of the rapidly expanding KAN landscape. By collecting and categorizing a large set of open-source implementations, we map the vibrant ecosystem supporting modern KAN development. We organize the review around four core themes: (i) presenting a precise history of Kolmogorov's superposition theory toward neural-network formulations; (ii) establishing the formal equivalence between KANs and MLPs; (iii) analyzing the critical role of basis functions; and (iv) organizing recent advancements in accuracy, efficiency, regularization, and convergence. Finally, we provide a practical Choose-Your-KAN guide to assist practitioners in selecting appropriate architectures, and we close by identifying current research gaps and future directions. The associated GitHub repository (https://github.com/AmirNoori68/kan-review) complements this paper and serves as a structured reference for ongoing KAN research.
Authors: Gottfried Haider, Jie Zhang
Abstract: LLMscape is an interactive installation that investigates how humans and AI construct meaning under shared conditions of uncertainty. Within a mutable, projection-mapped landscape, human participants reshape the world and engage with multiple AI agents, each developing incomplete and provisional accounts of their environment. Exhibited in Shanghai and continually evolving, the work positions AI not as deterministic tools but as embodied co-witnesses to an unstable world, examining the parallels between human and artificial meaning-making and inviting reflection on our shared epistemic limits.
Authors: Boyuan Wu
Abstract: Cooperative Multi-Agent Reinforcement Learning (MARL) faces two major design bottlenecks: crafting dense reward functions and constructing curricula that avoid local optima in high-dimensional, non-stationary environments. Existing approaches rely on fixed heuristics or use Large Language Models (LLMs) directly in the control loop, which is costly and unsuitable for real-time systems. We propose MAESTRO (Multi-Agent Environment Shaping through Task and Reward Optimization), a framework that moves the LLM outside the execution loop and uses it as an offline training architect. MAESTRO introduces two generative components: (i) a semantic curriculum generator that creates diverse, performance-driven traffic scenarios, and (ii) an automated reward synthesizer that produces executable Python reward functions adapted to evolving curriculum difficulty. These components guide a standard MARL backbone (MADDPG) without increasing inference cost at deployment. We evaluate MAESTRO on large-scale traffic signal control (Hangzhou, 16 intersections) and conduct controlled ablations. Results show that combining LLM-generated curricula with LLM-generated reward shaping yields improved performance and stability. Across four seeds, the full system achieves +4.0% higher mean return (163.26 vs. 156.93) and 2.2% better risk-adjusted performance (Sharpe 1.53 vs. 0.70) over a strong curriculum baseline. These findings highlight LLMs as effective high-level designers for cooperative MARL training.
Authors: Akira Tamamori
Abstract: High-capacity kernel Hopfield networks exhibit a \textit{Ridge of Optimization} characterized by extreme stability. While previously linked to \textit{Spectral Concentration}, its origin remains elusive. Here, we analyze the network dynamics on a statistical manifold, revealing that the Ridge corresponds to the Edge of Stability, a critical boundary where the Fisher Information Matrix becomes singular. We demonstrate that the apparent Euclidean force antagonism is a manifestation of \textit{Dual Equilibrium} in the Riemannian space. This unifies learning dynamics and capacity via the Minimum Description Length principle, offering a geometric theory of self-organized criticality.
Authors: Mansi Maheshwari, John C. Raisbeck, Bruno Castro da Silva
Abstract: Neural networks have shown remarkable success in supervised learning when trained on a single task using a fixed dataset. However, when neural networks are trained on a reinforcement learning task, their ability to continue learning from new experiences declines over time. This decline in learning ability is known as plasticity loss. To restore plasticity, prior work has explored periodically resetting the parameters of the learning network, a strategy that often improves overall performance. However, such resets come at the cost of a temporary drop in performance, which can be dangerous in real-world settings. To overcome this instability, we introduce AltNet, a reset-based approach that restores plasticity without performance degradation by leveraging twin networks. The use of twin networks anchors performance during resets through a mechanism that allows networks to periodically alternate roles: one network learns as it acts in the environment, while the other learns off-policy from the active network's interactions and a replay buffer. At fixed intervals, the active network is reset and the passive network, having learned from prior experiences, becomes the new active network. AltNet restores plasticity, improving sample efficiency and achieving higher performance, while avoiding performance drops that pose risks in safety-critical settings. We demonstrate these advantages in several high-dimensional control tasks from the DeepMind Control Suite, where AltNet outperforms various relevant baseline methods, as well as state-of-the-art reset-based techniques.
Authors: Zhengquan Luo, Zhiqiang Xu
Abstract: Dataset distillation (DD) aims to construct compact synthetic datasets that allow models to achieve comparable performance to full-data training while substantially reducing storage and computation. Despite rapid empirical progress, its theoretical foundations remain limited: existing methods (gradient, distribution, trajectory matching) are built on heterogeneous surrogate objectives and optimization assumptions, which makes it difficult to analyze their common principles or provide general guarantees. Moreover, it is still unclear under what conditions distilled data can retain the effectiveness of full datasets when the training configuration, such as optimizer, architecture, or augmentation, changes. To answer these questions, we propose a unified theoretical framework, termed configuration--dynamics--error analysis, which reformulates major DD approaches under a common generalization-error perspective and provides two main results: (i) a scaling law that provides a single-configuration upper bound, characterizing how the error decreases as the distilled sample size increases and explaining the commonly observed performance saturation effect; and (ii) a coverage law showing that the required distilled sample size scales linearly with configuration diversity, with provably matching upper and lower bounds. In addition, our unified analysis reveals that various matching methods are interchangeable surrogates, reducing the same generalization error, clarifying why they can all achieve dataset distillation and providing guidance on how surrogate choices affect sample efficiency and robustness. Experiments across diverse methods and configurations empirically confirm the derived laws, advancing a theoretical foundation for DD and enabling theory-driven design of compact, configuration-robust dataset distillation.
Authors: Tony Salloom, Okyay Kaynak, Xinbo Yub, Wei He
Abstract: Multi-step time-series prediction is an essential supportive step for decision-makers in several industrial areas. Artificial intelligence techniques, which use a neural network component in various forms, have recently frequently been used to accomplish this step. However, the complexity of the neural network structure still stands up as a critical problem against prediction accuracy. In this paper, a method inspired by the proportional-integral-derivative (PID) control approach is investigated to enhance the performance of neural network models used for multi-step ahead prediction of periodic time-series information while maintaining a negligible impact on the complexity of the system. The PID-based method is applied to the predicted value at each time step to bring that value closer to the real value. The water demand forecasting problem is considered as a case study, where two deep neural network models from the literature are used to prove the effectiveness of the proposed boosting method. Furthermore, to prove the applicability of this PID-based booster to other types of periodic time-series prediction problems, it is applied to enhance the accuracy of a neural network model used for multi-step forecasting of hourly energy consumption. The comparison between the results of the original prediction models and the results after using the proposed technique demonstrates the superiority of the proposed method in terms of prediction accuracy and system complexity.
Authors: Xiao Li
Abstract: Since the emergence of joint-stock companies, financial fraud by listed firms has repeatedly undermined capital markets. Fraud is difficult to detect because of covert tactics and the high labor and time costs of audits. Traditional statistical models are interpretable but struggle with nonlinear feature interactions, while machine learning models are powerful but often opaque. In addition, most existing methods judge fraud only for the current year based on current year data, limiting timeliness. This paper proposes a financial fraud detection framework for Chinese A-share listed companies based on convolutional neural networks (CNNs). We design a feature engineering scheme that transforms firm-year panel data into image like representations, enabling the CNN to capture cross-sectional and temporal patterns and to predict fraud in advance. Experiments show that the CNN outperforms logistic regression and LightGBM in accuracy, robustness, and early-warning performance, and that proper tuning of the classification threshold is crucial in high-risk settings. To address interpretability, we analyze the model along the dimensions of entity, feature, and time using local explanation techniques. We find that solvency, ratio structure, governance structure, and internal control are general predictors of fraud, while environmental indicators matter mainly in high-pollution industries. Non-fraud firms share stable feature patterns, whereas fraud firms exhibit heterogeneous patterns concentrated in short time windows. A case study of Guanong Shares in 2022 shows that cash flow analysis, social responsibility, governance structure, and per-share indicators are the main drivers of the model's fraud prediction, consistent with the company's documented misconduct.
Authors: Agung Nugraha, Heungjun Im, Jihwan Lee
Abstract: High-performance concrete requires complex mix design decisions involving interdependent variables and practical constraints. While data-driven methods have improved predictive modeling for forward design in concrete engineering, inverse design remains limited, especially when some variables are fixed and only the remaining ones must be inferred. This study proposes a cooperative neural network framework for the partial inverse design of high-performance concrete. The framework integrates an imputation model with a surrogate strength predictor and learns through cooperative training. Once trained, it generates valid and performance-consistent mix designs in a single forward pass without retraining for different constraint scenarios. Compared with baseline models, including autoencoder models and Bayesian inference with Gaussian process surrogates, the proposed method achieves R-squared values of 0.87 to 0.92 and substantially reduces mean squared error by approximately 50% and 70%, respectively. The results show that the framework provides an accurate and computationally efficient foundation for constraint-aware, data-driven mix proportioning.
Authors: Hong Wang, Yinglong Zhang, Hanhan Guo, Xuewen Xia, Xing Xu
Abstract: Pretrained language models offer strong text understanding capabilities but remain difficult to deploy in real-world text-attributed networks due to their heavy dependence on labeled data. Meanwhile, community detection methods typically ignore textual semantics, limiting their usefulness in downstream applications such as content organization, recommendation, and risk monitoring. To overcome these limitations, we present Dual Refinement Cycle Learning (DRCL), a fully unsupervised framework designed for practical scenarios where no labels or category definitions are available. DRCL integrates structural and semantic information through a warm-start initialization and a bidirectional refinement cycle between a GCN-based Community Detection Module (GCN-CDM) and a Text Semantic Modeling Module (TSMM). The two modules iteratively exchange pseudo-labels, allowing semantic cues to enhance structural clustering and structural patterns to guide text representation learning without manual supervision. Across several text-attributed graph datasets, DRCL consistently improves the structural and semantic quality of discovered communities. Moreover, a Mamba-based classifier trained solely from DRCL's community signals achieves accuracy comparable to supervised models, demonstrating its potential for deployment in large-scale systems where labeled data are scarce or costly. The code is available at https://github.com/wuanghoong/DRCL.git.
Authors: Zhengquan Luo, Guy Tadmor, Or Amar, David Zeevi, Zhiqiang Xu
Abstract: Knowledge graph embedding (KGE) relies on the geometry of the embedding space to encode semantic and structural relations. Existing methods place all entities on one homogeneous manifold, Euclidean, spherical, hyperbolic, or their product/multi-curvature variants, to model linear, symmetric, or hierarchical patterns. Yet a predefined, homogeneous manifold cannot accommodate the sharply varying curvature that real-world graphs exhibit across local regions. Since this geometry is imposed a priori, any mismatch with the knowledge graph's local curvatures will distort distances between entities and hurt the expressiveness of the resulting KGE. To rectify this, we propose RicciKGE to have the KGE loss gradient coupled with local curvatures in an extended Ricci flow such that entity embeddings co-evolve dynamically with the underlying manifold geometry towards mutual adaptation. Theoretically, when the coupling coefficient is bounded and properly selected, we rigorously prove that i) all the edge-wise curvatures decay exponentially, meaning that the manifold is driven toward the Euclidean flatness; and ii) the KGE distances strictly converge to a global optimum, which indicates that geometric flattening and embedding optimization are promoting each other. Experimental improvements on link prediction and node classification benchmarks demonstrate RicciKGE's effectiveness in adapting to heterogeneous knowledge graph structures.
Authors: Nikita Gabdullin
Abstract: The overall neural network (NN) performance is closely related to the properties of its embedding distribution in latent space (LS). It has recently been shown that predefined vector systems, specifically An root system vectors, can be used as targets for latent space configurations (LSC) to ensure the desired LS structure. One of the main LSC advantage is the possibility of training classifier NNs without classification layers, which facilitates training NNs on datasets with extremely large numbers of classes. This paper provides a more general overview of possible vector systems for NN training along with their properties and methods for vector system construction. These systems are used to configure LS of encoders and visual transformers to significantly speed up ImageNet-1K and 50k-600k classes LSC training. It is also shown that using the minimum number of LS dimensions for a specific number of classes results in faster convergence. The latter has potential advantages for reducing the size of vector databases used to store NN embeddings.
Authors: Yonggeon Lee, Jibin Hwang, Alfred Malengo Kondoro, Juhyun Song, Youngtae Noh
Abstract: Electric vehicles (EVs) are key to sustainable mobility, yet their lithium-ion batteries (LIBs) degrade more rapidly under prolonged high states of charge (SOC). This can be mitigated by delaying full charging \ours until just before departure, which requires accurate prediction of user departure times. In this work, we propose Transformer-based real-time-to-event (TTE) model for accurate EV departure prediction. Our approach represents each day as a TTE sequence by discretizing time into grid-based tokens. Unlike previous methods primarily dependent on temporal dependency from historical patterns, our method leverages streaming contextual information to predict departures. Evaluation on a real-world study involving 93 users and passive smartphone data demonstrates that our method effectively captures irregular departure patterns within individual routines, outperforming baseline models. These results highlight the potential for practical deployment of the \ours algorithm and its contribution to sustainable transportation systems.
Authors: Jeremy Yang, Noah Yonack, Kate Zyskowski, Denis Yarats, Johnny Ho, Jerry Ma
Abstract: This paper presents the first large-scale field study of the adoption, usage intensity, and use cases of general-purpose AI agents operating in open-world web environments. Our analysis centers on Comet, an AI-powered browser developed by Perplexity, and its integrated agent, Comet Assistant. Drawing on hundreds of millions of anonymized user interactions, we address three fundamental questions: Who is using AI agents? How intensively are they using them? And what are they using them for? Our findings reveal substantial heterogeneity in adoption and usage across user segments. Earlier adopters, users in countries with higher GDP per capita and educational attainment, and individuals working in digital or knowledge-intensive sectors -- such as digital technology, academia, finance, marketing, and entrepreneurship -- are more likely to adopt or actively use the agent. To systematically characterize the substance of agent usage, we introduce a hierarchical agentic taxonomy that organizes use cases across three levels: topic, subtopic, and task. The two largest topics, Productivity & Workflow and Learning & Research, account for 57% of all agentic queries, while the two largest subtopics, Courses and Shopping for Goods, make up 22%. The top 10 out of 90 tasks represent 55% of queries. Personal use constitutes 55% of queries, while professional and educational contexts comprise 30% and 16%, respectively. In the short term, use cases exhibit strong stickiness, but over time users tend to shift toward more cognitively oriented topics. The diffusion of increasingly capable AI agents carries important implications for researchers, businesses, policymakers, and educators, inviting new lines of inquiry into this rapidly emerging class of AI capabilities.
Authors: Ci Zhang, Huayu Li, Changdi Yang, Jiangnan Xia, Yanzhi Wang, Xiaolong Ma, Jin Lu, Geng Yuan
Abstract: Recent studies show that using diffusion models for time series signal reconstruction holds great promise. However, such approaches remain largely unexplored in the domain of medical time series. The unique characteristics of the physiological time series signals, such as multivariate, high temporal variability, highly noisy, and artifact-prone, make deep learning-based approaches still challenging for tasks such as imputation. Hence, we propose a novel Mixture of Experts (MoE)-based noise estimator within a score-based diffusion framework. Specifically, the Receptive Field Adaptive MoE (RFAMoE) module is designed to enable each channel to adaptively select desired receptive fields throughout the diffusion process. Moreover, recent literature has found that when generating a physiological signal, performing multiple inferences and averaging the reconstructed signals can effectively reduce reconstruction errors, but at the cost of significant computational and latency overhead. We design a Fusion MoE module and innovatively leverage the nature of MoE module to generate K noise signals in parallel, fuse them using a routing mechanism, and complete signal reconstruction in a single inference step. This design not only improves performance over previous methods but also eliminates the substantial computational cost and latency associated with multiple inference processes. Extensive results demonstrate that our proposed framework consistently outperforms diffusion-based SOTA works on different tasks and datasets.
Authors: Amogh Anshu N, Harish BP
Abstract: Network-on-Chip (NoC) design requires exploring a high-dimensional configuration space to satisfy stringent throughput requirements and latency constraints. Traditional design space exploration techniques are often slow and struggle to handle complex, non-linear parameter interactions. This work presents a machine learning-driven framework that automates NoC design space exploration using BookSim simulations and reverse neural network models. Specifically, we compare three architectures - a Multi-Layer Perceptron (MLP),a Conditional Diffusion Model, and a Conditional Variational Autoencoder (CVAE) to predict optimal NoC parameters given target performance metrics. Our pipeline generates over 150,000 simulation data points across varied mesh topologies. The Conditional Diffusion Model achieved the highest predictive accuracy, attaining a mean squared error (MSE) of 0.463 on unseen data. Furthermore, the proposed framework reduces design exploration time by several orders of magnitude, making it a practical solution for rapid and scalable NoC co-design.
Authors: Sudhanva Manjunath Athreya, Paul Rosen
Abstract: Deep learning models have achieved remarkable success across various domains, yet their learned representations and decision-making processes remain largely opaque and hard to interpret. This work introduces HOLE (Homological Observation of Latent Embeddings), a method for analyzing and interpreting deep neural networks through persistent homology. HOLE extracts topological features from neural activations and presents them using a suite of visualization techniques, including Sankey diagrams, heatmaps, dendrograms, and blob graphs. These tools facilitate the examination of representation structure and quality across layers. We evaluate HOLE on standard datasets using a range of discriminative models, focusing on representation quality, interpretability across layers, and robustness to input perturbations and model compression. The results indicate that topological analysis reveals patterns associated with class separation, feature disentanglement, and model robustness, providing a complementary perspective for understanding and improving deep learning systems.
Authors: Ali Lotfi Rezaabad, Bikram Khanal, Shashwat Chaurasia, Lu Zeng, Dezhi Hong, Hossein Bashashati, Thomas Butler, Megan Ganji
Abstract: Language identification is a crucial first step in multilingual systems such as chatbots and virtual assistants, enabling linguistically and culturally accurate user experiences. Errors at this stage can cascade into downstream failures, setting a high bar for accuracy. Yet, existing language identification tools struggle with key cases -- such as music requests where the song title and user language differ. Open-source tools like LangDetect, FastText are fast but less accurate, while large language models, though effective, are often too costly for low-latency or low-resource settings. We introduce PolyLingua, a lightweight Transformer-based model for in-domain language detection and fine-grained language classification. It employs a two-level contrastive learning framework combining instance-level separation and class-level alignment with adaptive margins, yielding compact and well-separated embeddings even for closely related languages. Evaluated on two challenging datasets -- Amazon Massive (multilingual digital assistant utterances) and a Song dataset (music requests with frequent code-switching) -- PolyLingua achieves 99.25% F1 and 98.15% F1, respectively, surpassing Sonnet 3.5 while using 10x fewer parameters, making it ideal for compute- and latency-constrained environments.
Authors: Simon Chung, Colby J. Vorland, Donna L. Maney, Andrew W. Brown
Abstract: Datasets may contain observations with multiple labels. If the labels are not mutually exclusive, and if the labels vary greatly in frequency, obtaining a sample that includes sufficient observations with scarcer labels to make inferences about those labels, and which deviates from the population frequencies in a known manner, creates challenges. In this paper, we consider a multivariate Bernoulli distribution as our underlying distribution of a multi-label problem. We present a novel sampling algorithm that takes label dependencies into account. It uses observed label frequencies to estimate multivariate Bernoulli distribution parameters and calculate weights for each label combination. This approach ensures the weighted sampling acquires target distribution characteristics while accounting for label dependencies. We applied this approach to a sample of research articles from Web of Science labeled with 64 biomedical topic categories. We aimed to preserve category frequency order, reduce frequency differences between most and least common categories, and account for category dependencies. This approach produced a more balanced sub-sample, enhancing the representation of minority categories.
Authors: Weiqi Guan, Junlin He
Abstract: The relationship between Layer Normalization (LN) placement and the oversmoothing phenomenon remains underexplored. We identify a critical dilemma: Pre-LN architectures avoid oversmoothing but suffer from the curse of depth, while Post-LN architectures bypass the curse of depth but experience oversmoothing. To resolve this, we propose a new method based on Post-LN that induces algebraic smoothing, preventing oversmoothing without the curse of depth. Empirical results across five benchmarks demonstrate that our approach supports deeper networks (up to 256 layers) and improves performance, requiring no additional parameters. Key contributions: Theoretical Characterization: Analysis of LN dynamics and their impact on oversmoothing and the curse of depth. A Principled Solution: A parameter-efficient method that induces algebraic smoothing and avoids oversmoothing and the curse of depth. Empirical Validation: Extensive experiments showing the effectiveness of the method in deeper GNNs.
Authors: Junnan Qiu, Yuanjie Zhao, Jie Li
Abstract: Offline Reinforcement Learning (RL) enables policy optimization from static datasets but is inherently vulnerable to data poisoning attacks. Existing attack strategies typically rely on locally uniform perturbations, which treat all samples indiscriminately. This approach is inefficient, as it wastes the perturbation budget on low-impact samples, and lacks stealthiness due to significant statistical deviations. In this paper, we propose a novel Global Budget Allocation attack strategy. Leveraging the theoretical insight that a sample's influence on value function convergence is proportional to its Temporal Difference (TD) error, we formulate the attack as a global resource allocation problem. We derive a closed-form solution where perturbation magnitudes are assigned proportional to the TD-error sensitivity under a global L2 constraint. Empirical results on D4RL benchmarks demonstrate that our method significantly outperforms baseline strategies, achieving up to 80% performance degradation with minimal perturbations that evade detection by state-of-the-art statistical and spectral defenses.
Authors: Huzaifa Arif
Abstract: Recent work \cite{arifgroup} introduced Federated Proximal Gradient \textbf{(\texttt{FedProxGrad})} for solving non-convex composite optimization problems in group fair federated learning. However, the original analysis established convergence only to a \textit{noise-dominated neighborhood of stationarity}, with explicit dependence on a variance-induced noise floor. In this work, we provide an improved asymptotic convergence analysis for a generalized \texttt{FedProxGrad}-type analytical framework with inexact local proximal solutions and explicit fairness regularization. We call this extended analytical framework \textbf{DS \texttt{FedProxGrad}} (Decay Step Size \texttt{FedProxGrad}). Under a Robbins-Monro step-size schedule \cite{robbins1951stochastic} and a mild decay condition on local inexactness, we prove that $\liminf_{r\to\infty} \mathbb{E}[\|\nabla F(\mathbf{x}^r)\|^2] = 0$, i.e., the algorithm is asymptotically stationary and the convergence rate does not depend on a variance-induced noise floor.
Authors: Richard Antonello, Javier Turek, Vy Vo, Alexander Huth
Abstract: How related are the representations learned by neural language models, translation models, and language tagging tasks? We answer this question by adapting an encoder-decoder transfer learning method from computer vision to investigate the structure among 100 different feature spaces extracted from hidden representations of various networks trained on language tasks. This method reveals a low-dimensional structure where language models and translation models smoothly interpolate between word embeddings, syntactic and semantic tasks, and future word embeddings. We call this low-dimensional structure a language representation embedding because it encodes the relationships between representations needed to process language for a variety of NLP tasks. We find that this representation embedding can predict how well each individual feature space maps to human brain responses to natural language stimuli recorded using fMRI. Additionally, we find that the principal dimension of this structure can be used to create a metric which highlights the brain's natural language processing hierarchy. This suggests that the embedding captures some part of the brain's natural language representation structure.
Authors: Md Rafi Ur Rashid, Vishnu Asutosh Dasu, Kang Gu, Najrin Sultana, Shagufta Mehnaz
Abstract: Federated learning (FL) has become a key component in various language modeling applications such as machine translation, next-word prediction, and medical record analysis. These applications are trained on datasets from many FL participants that often include privacy-sensitive data, such as healthcare records, phone/credit card numbers, login credentials, etc. Although FL enables computation without necessitating clients to share their raw data, existing works show that privacy leakage is still probable in federated language models. In this paper, we present two novel findings on the leakage of privacy-sensitive user data from federated large language models without requiring access to gradients. Firstly, we make a key observation that model snapshots from the intermediate rounds in FL can cause greater privacy leakage than the final trained model. Secondly, we identify that a malicious FL participant can aggravate the leakage by tampering with the model's selective weights that are responsible for memorizing the sensitive training data of some other clients, even without any cooperation from the server. Our best-performing method increases the membership inference recall by 29% and achieves up to 71% private data reconstruction, evidently outperforming existing attacks that consider much stronger adversary capabilities. Lastly, we recommend a balanced suite of techniques for an FL client to defend against such privacy risk.
Authors: Jingtao Ding, Yunke Zhang, Yu Shang, Jie Feng, Yuheng Zhang, Zefang Zong, Yuan Yuan, Hongyuan Su, Nian Li, Jinghua Piao, Yucheng Deng, Nicholas Sukiennik, Chen Gao, Fengli Xu, Yong Li
Abstract: The concept of world models has garnered significant attention due to advancements in multimodal large language models such as GPT-4 and video generation models such as Sora, which are central to the pursuit of artificial general intelligence. This survey offers a comprehensive review of the literature on world models. Generally, world models are regarded as tools for either understanding the present state of the world or predicting its future dynamics. This review presents a systematic categorization of world models, emphasizing two primary functions: (1) constructing internal representations to understand the mechanisms of the world, and (2) predicting future states to simulate and guide decision-making. Initially, we examine the current progress in these two categories. We then explore the application of world models in key domains, including generative games, autonomous driving, robotics, and social simulacra, with a focus on how each domain utilizes these aspects. Finally, we outline key challenges and provide insights into potential future research directions. We summarize the representative papers along with their code repositories in https://github.com/tsinghua-fib-lab/World-Model.
Authors: Daniele Bracale, Moulinath Banerjee, Yuekai Sun, Kevin Stoll, Salam Turki
Abstract: We propose a shape-constrained approach to dynamic pricing for censored data in the linear valuation model eliminating the need for tuning parameters commonly required by existing methods. Previous works have addressed the challenge of unknown market noise distribution $F_0$ using strategies ranging from kernel methods to reinforcement learning algorithms, such as bandit techniques and upper confidence bounds (UCB), under the assumption that $F_0$ satisfies Lipschitz (or stronger) conditions. In contrast, our method relies on isotonic regression under the weaker assumption that $F_0$ is $\alpha$-H\"older continuous for some $\alpha \in (0,1]$, for which we derive a regret upper bound. Simulations and experiments with real-world data obtained by Welltower Inc (a major healthcare Real Estate Investment Trust) consistently demonstrate that our method attains lower empirical regret in comparison to several existing methods in the literature while offering the advantage of being tuning-parameter free.
Authors: Yang Xu, Washim Uddin Mondal, Vaneet Aggarwal
Abstract: We present the first finite-sample analysis of policy evaluation in robust average-reward Markov Decision Processes (MDPs). Prior work in this setting have established only asymptotic convergence guarantees, leaving open the question of sample complexity. In this work, we address this gap by showing that the robust Bellman operator is a contraction under a carefully constructed semi-norm, and developing a stochastic approximation framework with controlled bias. Our approach builds upon Multi-Level Monte Carlo (MLMC) techniques to estimate the robust Bellman operator efficiently. To overcome the infinite expected sample complexity inherent in standard MLMC, we introduce a truncation mechanism based on a geometric distribution, ensuring a finite expected sample complexity while maintaining a small bias that decays exponentially with the truncation level. Our method achieves the order-optimal sample complexity of $\tilde{\mathcal{O}}(\epsilon^{-2})$ for robust policy evaluation and robust average reward estimation, marking a significant advancement in robust reinforcement learning theory.
Authors: Jaa-Yeon Lee, Byunghee Cha, Jeongsol Kim, Jong Chul Ye
Abstract: While recent advancements in generative modeling have significantly improved text-image alignment, some residual misalignment between text and image representations still remains. Some approaches address this issue by fine-tuning models in terms of preference optimization, etc., which require tailored datasets. Orthogonal to these methods, we revisit the challenge from the perspective of representation alignment-an approach that has gained popularity with the success of REPresentation Alignment (REPA). We first argue that conventional text-to-image (T2I) diffusion models, typically trained on paired image and text data (i.e., positive pairs) by minimizing score matching or flow matching losses, is suboptimal from the standpoint of representation alignment. Instead, a better alignment can be achieved through contrastive learning that leverages existing dataset as both positive and negative pairs. To enable efficient alignment with pretrained models, we propose SoftREPA- a lightweight contrastive fine-tuning strategy that leverages soft text tokens for representation alignment. This approach improves alignment with minimal computational overhead by adding fewer than 1M trainable parameters to the pretrained model. Our theoretical analysis demonstrates that our method explicitly increases the mutual information between text and image representations, leading to enhanced semantic consistency. Experimental results across text-to-image generation and text-guided image editing tasks validate the effectiveness of our approach in improving the semantic consistency of T2I generative models.
Authors: Michael Cardei, Jacob K Christopher, Thomas Hartvigsen, Bhavya Kailkhura, Ferdinando Fioretto
Abstract: Discrete diffusion models are a class of generative models that construct sequences by progressively denoising samples from a categorical noise distribution. Beyond their rapidly growing ability to generate coherent natural language, these models present a new and important opportunity to enforce sequence-level constraints, a capability that current autoregressive models cannot natively provide. This paper capitalizes on this opportunity by introducing Constrained Discrete Diffusion (CDD), a novel integration of differentiable constraint optimization within the diffusion process to ensure adherence to constraints, logic rules, or safety requirements for generated sequences. Unlike conventional text generators that often rely on post-hoc filtering or model retraining for controllable generation, CDD directly imposes constraints into the discrete diffusion sampling process, resulting in a training-free and effective approach. Experiments in toxicity-controlled text generation, property-constrained molecule design, and instruction-constrained text completion demonstrate that CDD achieves zero constraint violations in a diverse array of tasks while preserving fluency, novelty, and coherence while outperforming autoregressive and existing discrete diffusion approaches.
Authors: Daniele Bracale, Moulinath Banerjee, Cong Shi, Yuekai Sun
Abstract: We consider price competition among multiple sellers over a selling horizon of $T$ periods. In each period, sellers simultaneously offer their prices (which are made public) and subsequently observe their respective demand (not made public). The demand function of each seller depends on all sellers' prices through a private, unknown, and nonlinear relationship. We propose a dynamic pricing policy that uses semi-parametric least-squares estimation and show that when the sellers employ our policy, their prices converge at a rate of $O(T^{-1/7})$ to the Nash equilibrium prices that sellers would reach if they were fully informed. Each seller incurs a regret of $O(T^{5/7})$ relative to a dynamic benchmark policy. A theoretical contribution of our work is proving the existence of equilibrium under shape-constrained demand functions via the concept of $s$-concavity and establishing regret bounds of our proposed policy. Technically, we also establish new concentration results for the least squares estimator under shape constraints. Our findings offer significant insights into dynamic competition-aware pricing and contribute to the broader study of non-parametric learning in strategic decision-making.
Authors: Zhidi Lin, Ying Li, Feng Yin, Juan Maro\~nas, Alexandre H. Thi\'ery
Abstract: Gaussian process state-space models (GPSSMs) offer a principled framework for learning and inference in nonlinear dynamical systems with uncertainty quantification. However, existing GPSSMs are limited by the use of multiple independent stationary Gaussian processes (GPs), leading to prohibitive computational and parametric complexity in high-dimensional settings and restricted modeling capacity for non-stationary dynamics. To address these challenges, we propose an efficient transformed Gaussian process state-space model (ETGPSSM) for scalable and flexible modeling of high-dimensional, non-stationary dynamical systems. Specifically, our ETGPSSM integrates a single shared GP with input-dependent normalizing flows, yielding an expressive non-stationary implicit process prior that can capture complex transition dynamics while significantly reducing model complexity. For the inference of the implicit process, we develop a variational inference algorithm that jointly approximates the posterior over the underlying GP and the neural network parameters defining the normalizing flows. To avoid explicit variational parameterization of the latent states, we further incorporate the ensemble Kalman filter (EnKF) into the variational framework, enabling accurate and efficient state estimation. Extensive empirical evaluations on synthetic and real-world datasets demonstrate the superior performance of our ETGPSSM in system dynamics learning, high-dimensional state estimation, and time-series forecasting, outperforming existing GPSSMs and neural network-based SSMs in terms of computational efficiency and accuracy.
Authors: Marcus Buckmann, Quynh Anh Nguyen, Edward Hill
Abstract: We investigate whether the hidden states of large language models (LLMs) can be used to estimate and impute economic and financial statistics. Focusing on county-level (e.g. unemployment) and firm-level (e.g. total assets) variables, we show that a simple linear model trained on the hidden states of open-source LLMs outperforms the models' text outputs. This suggests that hidden states capture richer economic information than the responses of the LLMs reveal directly. A learning curve analysis indicates that only a few dozen labelled examples are sufficient for training. We also propose a transfer learning method that improves estimation accuracy without requiring any labelled data for the target variable. Finally, we demonstrate the practical utility of hidden-state representations in super-resolution and data imputation tasks.
Authors: Jiarui Li, Zixiang Yin, Haley Smith, Zhengming Ding, Samuel J. Landry, Ramgopal R. Mettu
Abstract: CD8+ "killer" T cells and CD4+ "helper" T cells play a central role in the adaptive immune system by recognizing antigens presented by Major Histocompatibility Complex (pMHC) molecules via T Cell Receptors (TCRs). Modeling binding between T cells and the pMHC complex is fundamental to understanding basic mechanisms of human immune response as well as in developing therapies. While transformer-based models such as TULIP have achieved impressive performance in this domain, their black-box nature precludes interpretability and thus limits a deeper mechanistic understanding of T cell response. Most existing post-hoc explainable AI (XAI) methods are confined to encoder-only, co-attention, or model-specific architectures and cannot handle encoder-decoder transformers used in TCR-pMHC modeling. To address this gap, we propose Quantifying Cross-Attention Interaction (QCAI), a new post-hoc method designed to interpret the cross-attention mechanisms in transformer decoders. Quantitative evaluation is a challenge for XAI methods; we have compiled TCR-XAI, a benchmark consisting of 274 experimentally determined TCR-pMHC structures to serve as ground truth for binding. Using these structures we compute physical distances between relevant amino acid residues in the TCR-pMHC interaction region and evaluate how well our method and others estimate the importance of residues in this region across the dataset. We show that QCAI achieves state-of-the-art performance on both interpretability and prediction accuracy under the TCR-XAI benchmark.
Authors: Rafiq Kamel, Filippo Guerranti, Simon Geisler, Stephan G\"unnemann
Abstract: Large Language Models (LLMs) are increasingly applied to tasks involving structured inputs such as graphs. Abstract Meaning Representations (AMRs), which encode rich semantics as directed graphs, offer a rigorous testbed for evaluating LLMs on text generation from such structures. Yet, current methods often arbitrarily linearize AMRs, discarding key structural cues, or rely on architectures incompatible with standard LLMs. We introduce SAFT, a structure-aware fine-tuning approach that injects graph topology into pretrained LLMs without architectural changes. We compute direction-sensitive positional encodings from the magnetic Laplacian of transformed AMRs and project them into the embedding space of the LLM. While possibly applicable to any graph-structured inputs, we focus on AMR-to-text generation as a representative and challenging benchmark. SAFT sets a new state-of-the-art on AMR 3.0 with a 3.5 BLEU improvement over baselines. Gains scale with graph complexity, highlighting the value of structure-aware representations in enhancing LLM performance. SAFT offers a general and effective pathway for bridging structured data and language models.
Authors: Takeshi Kimura, Kohtaro Kato, Masahito Hayashi
Abstract: Quantum Boltzmann machines (QBMs) are generative models with potential advantages in quantum machine learning, yet their training is fundamentally limited by the barren plateau problem, where gradients vanish exponentially with system size. We introduce a quantum version of the em algorithm, an information-geometric generalization of the classical Expectation-Maximization method, which circumvents gradient-based optimization on non-convex functions. Implemented on a semi-quantum restricted Boltzmann machine (sqRBM) -- a hybrid architecture with quantum effects confined to the hidden layer -- our method achieves stable learning and outperforms gradient descent on multiple benchmark datasets. These results establish a structured and scalable alternative to gradient-based training in QML, offering a pathway to mitigate barren plateaus and enhance quantum generative modeling.
Authors: Sofiane Bouaziz, Adel Hafiane, Raphael Canals, Rachid Nedjai
Abstract: Urbanization, climate change, and agricultural stress are increasing the demand for precise and timely environmental monitoring. Land Surface Temperature (LST) is a key variable in this context and is retrieved from remote sensing satellites. However, these systems face a trade-off between spatial and temporal resolution. While spatio-temporal fusion methods offer promising solutions, few have addressed the estimation of daily LST at 10 m resolution. In this study, we present WGAST, a weakly-supervised generative network for daily 10 m LST estimation via spatio-temporal fusion of Terra MODIS, Landsat 8, and Sentinel-2. WGAST is the first end-to-end deep learning framework designed for this task. It adopts a conditional generative adversarial architecture, with a generator composed of four stages: feature extraction, fusion, LST reconstruction, and noise suppression. The first stage employs a set of encoders to extract multi-level latent representations from the inputs, which are then fused in the second stage using cosine similarity, normalization, and temporal attention mechanisms. The third stage decodes the fused features into high-resolution LST, followed by a Gaussian filter to suppress high-frequency noise. Training follows a weakly supervised strategy based on physical averaging principles and reinforced by a PatchGAN discriminator. Experiments demonstrate that WGAST outperforms existing methods in both quantitative and qualitative evaluations. Compared to the best-performing baseline, on average, WGAST reduces RMSE by 17.05% and improves SSIM by 4.22%. Furthermore, WGAST effectively captures fine-scale thermal patterns, as validated against near-surface air temperature measurements from 33 near-ground sensors. The code is available at https://github.com/Sofianebouaziz1/WGAST.git.
Authors: Nikolai Warner, Wenjin Zhang, Hamid Badiozamani, Irfan Essa, Apaar Sadhwani
Abstract: Lifting based 3D human pose estimators infer 3D joints from 2D keypoints, but often struggle to generalize to real world settings with noisy 2D detections. We revisit the input to lifting and propose AugLift, a simple augmentation of standard lifting that enriches each 2D keypoint (x, y) with an Uncertainty Aware Depth Descriptor (UADD). We run a single off the shelf monocular depth estimator to obtain a depth map, and for every keypoint with detector confidence c we extract depth statistics from its confidence scaled neighborhood, forming a compact, interpretable UADD (c, d, d_min, d_max) that captures both local geometry and reliability. AugLift is modular, requires no new sensors or architectural changes, and integrates by expanding the input layer of existing lifting models. Across four datasets and four lifting architectures, AugLift boosts cross dataset (out of distribution) performance on unseen data by an average of 10.1 percent, while also improving in distribution performance by 4.0 percent as measured by MPJPE. A post hoc analysis clarifies when and why it helps: gains are largest on novel poses and significantly occluded joints, where depth statistics resolve front back ambiguities while confidence calibrates the spatial neighborhoods from which they are drawn. We also study interaction with recent image feature lifting methods and find the signals are complementary: adding UADD to image conditioned lifting yields both ID and OOD gains. A learned depth feature extension (AugLiftV2) improves performance further while trading off interpretability. Together, these results indicate that lightweight, confidence aware depth cues are a powerful plug in for robust 2D to 3D pose lifting.
Authors: Wei Chen, Shigui Li, Jiacheng Li, Jian Xu, Zhiqi Lin, Junmei Yang, Delu Zeng, John Paisley, Qibin Zhao
Abstract: Estimating density ratios has become increasingly important with the recent rise of score-based and diffusion-inspired methods. However, current tangent-based approaches rely on a high-variance learning objective, which leads to unstable training and costly numerical integration during inference. We propose \textit{Interval-annealed Secant Alignment Density Ratio Estimation (ISA-DRE)}, a score-based framework along diffusion interpolants that replaces the instantaneous tangent with its interval integral, the secant, as the learning target. We show theoretically that the secant is a provably lower variance and smoother target for neural approximation, and also a strictly more general representation that contains the tangent as the infinitesimal limit. To make secant learning feasible, we introduce the \textit{Secant Alignment Identity (SAI)} to enforce self consistency between secant and tangent representations, and \textit{Contraction Interval Annealing (CIA)} to ensure stable convergence. Empirically, this stability-first formulation produces high efficiency and accuracy. ISA-DRE achieves comparable or superior results with fewer function evaluations, demonstrating robustness under large distribution discrepancies and effectively mitigating the density-chasm problem.
Authors: Yuntao Du, Yuetian Chen, Hanshen Xiao, Bruno Ribeiro, Ninghui Li
Abstract: A Membership Inference Attack (MIA) assesses how much a target machine learning model reveals about its training data by determining whether specific query instances were part of the training set. State-of-the-art MIAs rely on training hundreds of shadow models that are independent of the target model, leading to significant computational overhead. In this paper, we introduce Imitative Membership Inference Attack (IMIA), which employs a novel imitative training technique to strategically construct a small number of target-informed imitative models that closely replicate the target model's behavior for inference. Extensive experimental results demonstrate that IMIA substantially outperforms existing MIAs in various attack settings while only requiring less than 5% of the computational cost of state-of-the-art approaches.
Authors: Rok Cestnik, Erik A. Martens
Abstract: We present a simple and scalable implementation of next-generation reservoir computing (NGRC) for modeling dynamical systems from time-series data. The method uses a pseudorandom nonlinear projection of time-delay embedded inputs, allowing the feature-space dimension to be chosen independently of the observation size and offering a flexible alternative to polynomial-based NGRC projections. We demonstrate the approach on benchmark tasks, including attractor reconstruction and bifurcation diagram estimation, using partial and noisy measurements. We further show that small amounts of measurement noise during training act as an effective regularizer, improving long-term autonomous stability compared to standard regression alone. Across all tests, the models remain stable over long rollouts and generalize beyond the training data. The framework offers explicit control of system state during prediction, and these properties make NGRC a natural candidate for applications such as surrogate modeling and digital-twin applications.
Authors: Manajit Das, Ajnabiul Hoque, Mayank Baranwal, Raghavan B. Sunoj
Abstract: Prediction of complete step-by-step chemical reaction mechanisms (CRMs) remains a major challenge. Whereas the traditional approaches in CRM tasks rely on expert-driven experiments or costly quantum chemical computations, contemporary deep learning (DL) alternatives ignore key intermediates and mechanistic steps and often suffer from hallucinations. We present DeepMech, an interpretable graph-based DL framework employing atom- and bond-level attention, guided by generalized templates of mechanistic operations (TMOps), to generate CRMs. Trained on our curated ReactMech dataset (~30K CRMs with 100K atom-mapped and mass-balanced elementary steps), DeepMech achieves 98.98+/-0.12% accuracy in predicting elementary steps and 95.94+/-0.21% in complete CRM tasks, besides maintaining high fidelity even in out-of-distribution scenarios as well as in predicting side and/or byproducts. Extension to multistep CRMs relevant to prebiotic chemistry, demonstrates the ability of DeepMech in effectively reconstructing 2 pathways from simple primordial substrates to complex biomolecules such as serine and aldopentose. Attention analysis identifies reactive atoms/bonds in line with chemical intuition, rendering our model interpretable and suitable for reaction design.
Authors: Daniel Maninger, Leon Chemnitz, Amir Molzam Sharifloo, Jannis Brugger, Mira Mezini
Abstract: API integration is a cornerstone of our digital infrastructure, enabling software systems to connect and interact. However, as shown by many studies, writing or generating correct code to invoke APIs, particularly web APIs, is challenging. Although large language models (LLMs) have become popular in software development, their effectiveness in automating the generation of web API integration code remains unexplored. In order to address this, we present WAPIIBench, a dataset and evaluation pipeline designed to assess the ability of LLMs to generate web API invocation code. Our experiments with several open-source LLMs reveal that generating API invocations poses a significant challenge, resulting in hallucinated endpoints, incorrect argument usage, and other errors. None of the evaluated open-source models was able to solve more than 40% of the tasks.
Authors: Shu Liu, Wenlin Chen, Weihao Li, Zheng Wang, Lijin Yang, Jianing Huang, Yipin Zhang, Zhongzhan Huang, Ze Cheng, Hao Yang
Abstract: Diffusion-based planners have shown great promise for autonomous driving due to their ability to capture multi-modal driving behaviors. However, guiding these models effectively in reactive, closed-loop environments remains a significant challenge. Simple conditioning often fails to provide sufficient guidance in complex and dynamic driving scenarios. Recent work attempts to use typical expert driving behaviors (i.e., anchors) to guide diffusion models but relies on a truncated schedule, which introduces theoretical inconsistencies and can compromise performance. To address this, we introduce BridgeDrive, a novel anchor-guided diffusion bridge policy for closed-loop trajectory planning. Our approach provides a principled diffusion framework that effectively translates anchors into fine-grained trajectory plans, appropriately responding to varying traffic conditions. Our planner is compatible with efficient ODE solvers, a critical factor for real-time autonomous driving deployment. We achieve state-of-the-art performance on the Bench2Drive benchmark, improving the success rate by 7.72% over prior arts.
Authors: Liyang Chen, Hongkai Chen, Yujun Cai, Sifan Li, Qingwen Ye, Yiwei Wang
Abstract: Video-to-Audio generation has made remarkable strides in automatically synthesizing sound for video. However, existing evaluation metrics, which focus on semantic and temporal alignment, overlook a critical failure mode: models often generate acoustic events, particularly speech and music, that have no corresponding visual source. We term this phenomenon Insertion Hallucination and identify it as a systemic risk driven by dataset biases, such as the prevalence of off-screen sounds, that remains completely undetected by current metrics. To address this challenge, we first develop a systematic evaluation framework that employs a majority-voting ensemble of multiple audio event detectors. We also introduce two novel metrics to quantify the prevalence and severity of this issue: IH@vid (the fraction of videos with hallucinations) and IH@dur (the fraction of hallucinated duration). Building on this, we propose Posterior Feature Correction, a novel training-free inference-time method that mitigates IH. PFC operates in a two-pass process: it first generates an initial audio output to detect hallucinated segments, and then regenerates the audio after masking the corresponding video features at those timestamps. Experiments on several mainstream V2A benchmarks first reveal that state-of-the-art models suffer from severe IH. In contrast, our PFC method reduces both the prevalence and duration of hallucinations by over 50\% on average, without degrading, and in some cases even improving, conventional metrics for audio quality and temporal synchronization. Our work is the first to formally define, systematically measure, and effectively mitigate Insertion Hallucination, paving the way for more reliable and faithful V2A models.
Authors: Wan Ki Wong, Sahel Torkamani, Michele Ciampi, Rik Sarkar
Abstract: Evaluating the usefulness of data before purchase is essential when obtaining data for high-quality machine learning models, yet both model builders and data providers are often unwilling to reveal their proprietary assets. We present PrivaDE, a privacy-preserving protocol that allows a model owner and a data owner to jointly compute a utility score for a candidate dataset without fully exposing model parameters, raw features, or labels. PrivaDE provides strong security against malicious behavior and can be integrated into blockchain-based marketplaces, where smart contracts enforce fair execution and payment. To make the protocol practical, we propose optimizations to enable efficient secure model inference, and a model-agnostic scoring method that uses only a small, representative subset of the data while still reflecting its impact on downstream training. Evaluation shows that PrivaDE performs data evaluation effectively, achieving online runtimes within 15 minutes even for models with millions of parameters. Our work lays the foundation for fair and automated data marketplaces in decentralized machine learning ecosystems.
Authors: Archana Warrier, Dat Nguyen, Michelangelo Naim, Moksh Jain, Yichao Liang, Karen Schroeder, Cambridge Yang, Joshua B. Tenenbaum, Sebastian Vollmer, Kevin Ellis, Zenna Tavares
Abstract: Model-learning agents should gather information to learn world models that support many downstream tasks and inferences, such as predicting unobserved states, estimating near- and far-term consequences of actions, planning action sequences, and detecting changes in dynamics. Current methods for learning and evaluating world models diverge from this goal: training and evaluation are anchored to next-frame prediction, and success is scored by reward maximization in the same environment. We propose WorldTest, a protocol to evaluate model-learning agents that separates reward-free interaction from a scored test phase in a different but related environment. WorldTest is open-ended $\unicode{x2014}$ models should support many different tasks unknown ahead of time $\unicode{x2014}$ and agnostic to model representation, allowing comparison across approaches. We instantiated WorldTest with AutumnBench, a suite of 43 interactive grid-world environments and 129 tasks across three families: masked-frame prediction, planning, and predicting changes to the causal dynamics. We compared 517 human participants and three frontier models on AutumnBench. We found that humans outperform the models, and scaling compute improves performance only in some environments but not others. WorldTest provides a novel template $\unicode{x2014}$ reward-free exploration, derived tests, and behavior-based scoring $\unicode{x2014}$ to evaluate what agents learn about environment dynamics, and AutumnBench exposes significant headroom in world-model learning.
Authors: Kushal Chakrabarti, Nirmal Balachundhar
Abstract: Language models continue to hallucinate despite increases in parameters, compute, and data. We propose neural diversity -- decorrelated parallel representations -- as a principled mechanism that reduces hallucination rates at fixed parameter and data budgets. While existing mitigation strategies largely target accuracy, we provide the first formal tail bounds for hallucination probability in ensembled language models, reframing it as a second-moment reliability problem and explaining 94.3% of empirical reliability variation seen across parallel configurations. We introduce ND-LoRA (Neural Diversity Low-Rank Adaptation), combining parallel LoRA adapters with Barlow Twins regularization, and reduce hallucinations by up to 25.6% (and 14.6% on average) while preserving general accuracy. Ablations show LoRA adapters and regularization act synergistically, causal interventions prove neurodiversity as the mediating factor and correlational studies indicate scale: a 0.1% neural correlation increase is associated with a 3.8% hallucination increase. Finally, task-dependent optimality emerges: different tasks require different optimal amounts of neurodiversity. Together, our results highlight neural diversity as a third axis of scaling -- orthogonal to parameters and data -- to improve the reliability of language models at fixed budgets.
Authors: Jan Niklas Groeneveld, Xi Qin, Alexander Schaefer, Yaad Oren
Abstract: Generating high-quality code remains a challenge for Large Language Models (LLMs). For the evolution of reasoning models on this task, reward models are a necessary intermediate step. These models judge outcomes or intermediate steps. Decoder-only transformer models can be turned into reward models by introducing a regression layer and supervised fine-tuning. While it is known that reflection capabilities generally increase with the size of a model, we want to investigate whether state-of-the-art small language models like the Phi-4 family can be turned into usable reward models blending the consideration of process rewards and outcome rewards. Targeting this goal, we construct a dataset of code samples with correctness labels derived from the APPS coding challenge benchmark. We then train a value-head model to estimate the success probability of intermediate outputs. Our evaluation shows that small LLMs are capable of serving as effective reward models or code evaluation critics, successfully identifying correct solutions among multiple candidates. Using this critic, we achieve over a 20% improvement in the search capability of the most accurate code out of multiple generations.
Authors: Charles C. Margossian, Lawrence K. Saul
Abstract: We extend several recent results providing symmetry-based guarantees for variational inference (VI) with location-scale families. VI approximates a target density $p$ by the best match $q^*$ in a family $Q$ of tractable distributions that in general does not contain $p$. It is known that VI can recover key properties of $p$, such as its mean and correlation matrix, when $p$ and $Q$ exhibit certain symmetries and $q^*$ is found by minimizing the reverse Kullback-Leibler divergence. We extend these guarantees in two important directions. First, we provide symmetry-based guarantees for $f$-divergences, a broad class that includes the reverse and forward Kullback-Leibler divergences and the $\alpha$-divergences. We highlight properties specific to the reverse Kullback-Leibler divergence under which we obtain our strongest guarantees. Second, we obtain further guarantees for VI when the target density $p$ exhibits even and elliptical symmetries in some but not all of its coordinates. These partial symmetries arise naturally in Bayesian hierarchical models, where the prior induces a challenging geometry but still possesses axes of symmetry. We illustrate these theoretical results in a number of experimental settings.
Authors: Brennen A. Hill
Abstract: Traditional neural networks, while powerful, rely on biologically implausible learning mechanisms such as global backpropagation. This paper introduces the Structurally Adaptive Predictive Inference Network (SAPIN), a novel computational model inspired by the principles of active inference and the morphological plasticity observed in biological neural cultures. SAPIN operates on a 2D grid where processing units, or cells, learn by minimizing local prediction errors. The model features two primary, concurrent learning mechanisms: a local, Hebbian-like synaptic plasticity rule based on the temporal difference between a cell's actual activation and its learned expectation, and a structural plasticity mechanism where cells physically migrate across the grid to optimize their information-receptive fields. This dual approach allows the network to learn both how to process information (synaptic weights) and also where to position its computational resources (network topology). We validated the SAPIN model on the classic Cart Pole reinforcement learning benchmark. Our results demonstrate that the architecture can successfully solve the CartPole task, achieving robust performance. The network's intrinsic drive to minimize prediction error and maintain homeostasis was sufficient to discover a stable balancing policy. We also found that while continual learning led to instability, locking the network's parameters after achieving success resulted in a stable policy. When evaluated for 100 episodes post-locking (repeated over 100 successful agents), the locked networks maintained an average 82% success rate.
Authors: Gonzalo Mena, Arun Kumar Kuchibhotla, Larry Wasserman
Abstract: Rectified flow (Liu et al., 2022; Liu, 2022; Wu et al., 2023) is a method for defining a transport map between two distributions, and enjoys popularity in machine learning, although theoretical results supporting the validity of these methods are scant. The rectified flow can be regarded as an approximation to optimal transport, but in contrast to other transport methods that require optimization over a function space, computing the rectified flow only requires standard statistical tools such as regression or density estimation, which we leverage to develop empirical versions of transport maps. We study some structural properties of the rectified flow, including existence, uniqueness, and regularity, as well as the related statistical properties, such as rates of convergence and central limit theorems, for some selected estimators. To do so, we analyze the bounded and unbounded cases separately as each presents unique challenges. In both cases, we are able to establish convergence at faster rates than those for the usual nonparametric regression and density estimation.
Authors: Qiang Wang, Liying Yang, Jiayun Song, Yifan Bai, Jingtao Du
Abstract: Cross-subject electroencephalography (EEG) emotion recognition remains a major challenge in brain-computer interfaces (BCIs) due to substantial inter-subject variability. Multi-Source Domain Adaptation (MSDA) offers a potential solution, but existing MSDA frameworks typically assume equal source quality, leading to negative transfer from low-reliability domains and prohibitive computational overhead due to multi-branch model designs. To address these limitations, we propose the Hard-Easy Dual Network (HEDN), a lightweight reliability-aware MSDA framework. HEDN introduces a novel Source Reliability Assessment (SRA) mechanism that dynamically evaluates the structural integrity of each source domain during training. Based on this assessment, sources are routed to two specialized branches: an Easy Network that exploits high-quality sources to construct fine-grained, structure-aware prototypes for reliable pseudo-label generation, and a Hard Network that utilizes adversarial training to refine and align low-quality sources. Furthermore, a cross-network consistency loss aligns predictions between branches to preserve semantic coherence. Extensive experiments conducted on SEED, SEED-IV, and DEAP datasets demonstrate that HEDN achieves state-of-the-art performance across both cross-subject and cross-dataset evaluation protocols while reducing adaptation complexity.
Authors: Katie Matton, Purvaja Balaji, Hamzeh Ghasemzadeh, Jameson C. Cooper, Daryush D. Mehta, Jarrad H. Van Stan, Robert E. Hillman, Rosalind Picard, John Guttag, S. Mazdak Abulnaga
Abstract: Phonotrauma refers to vocal fold tissue damage resulting from exposure to forces during voicing. It occurs on a continuum from mild to severe, and treatment options can vary based on severity. Assessment of severity involves a clinician's expert judgment, which is costly and can vary widely in reliability. In this work, we present the first method for automatically classifying phonotrauma severity from vocal fold images. To account for the ordinal nature of the labels, we adopt a widely used ordinal regression framework. To account for label uncertainty, we propose a novel modification to ordinal regression loss functions that enables them to operate on soft labels reflecting annotator rating distributions. Our proposed soft ordinal regression method achieves predictive performance approaching that of clinical experts, while producing well-calibrated uncertainty estimates. By providing an automated tool for phonotrauma severity assessment, our work can enable large-scale studies of phonotrauma, ultimately leading to improved clinical understanding and patient care.
Authors: Shizhou Xu, Yuan Ni, Stefan Broecker, Thomas Strohmer
Abstract: As AI models are trained on ever-expanding datasets, the ability to remove the influence of specific data from trained models has become essential for privacy protection and regulatory compliance. Unlearning addresses this challenge by selectively removing parametric knowledge from the trained models without retraining from scratch, which is critical for resource-intensive models such as Large Language Models (LLMs). Existing unlearning methods often degrade model performance by removing more information than necessary when attempting to ''forget'' specific data. We introduce Forgetting-MarI, an LLM unlearning framework that provably removes only the additional (marginal) information contributed by the data to be unlearned, while preserving the information supported by the data to be retained. By penalizing marginal information, our method yields an explicit upper bound on the unlearn dataset's residual influence in the trained models, providing provable undetectability. Extensive experiments confirm that our approach outperforms current state-of-the-art unlearning methods, delivering reliable forgetting and better preserved general model performance across diverse benchmarks. This advancement represents an important step toward making AI systems more controllable and compliant with privacy and copyright regulations without compromising their effectiveness.
Authors: Jingru Huang, Haijie Xu, Manrui Jiang, Chen Zhang
Abstract: Bayesian optimization (BO) has been widely used to optimize expensive and gradient-free objective functions across various domains. However, existing BO methods have not addressed the objective where both inputs and outputs are functions, which increasingly arise in complex systems as advanced sensing technologies. To fill this gap, we propose a novel function-on-function Bayesian optimization (FFBO) framework. Specifically, we first introduce a function-on-function Gaussian process (FFGP) model with a separable operator-valued kernel to capture the correlations between function-valued inputs and outputs. Compared to existing Gaussian process models, FFGP is modeled directly in the function space. Based on FFGP, we define a scalar upper confidence bound (UCB) acquisition function using a weighted operator-based scalarization strategy. Then, a scalable functional gradient ascent algorithm (FGA) is developed to efficiently identify the optimal function-valued input. We further analyze the theoretical properties of the proposed method. Extensive experiments on synthetic and real-world data demonstrate the superior performance of FFBO over existing approaches.
Authors: Edgar Dobriban
Abstract: Over the last few months, AI models including large language models have improved greatly. There are now several documented examples where they have helped professional mathematical scientists prove new results, sometimes even helping resolve known open problems. In this short note, we add another example to the list, by documenting how we were able to solve a previously unsolved research problem in robust mathematical statistics with crucial help from GPT-5. Our problem concerns robust density estimation, where the observations are perturbed by Wasserstein-bounded contaminations. In a previous preprint (Chao and Dobriban, 2023, arxiv:2308.01853v2), we have obtained upper and lower bounds on the minimax optimal estimation error; which were, however, not sharp. Starting in October 2025, making significant use of GPT-5 Pro, we were able to derive the minimax optimal error rate (reported in version 3 of the above arxiv preprint). GPT-5 provided crucial help along the way, including by suggesting calculations that we did not think of, and techniques that were not familiar to us, such as the dynamic Benamou-Brenier formulation, for key steps in the analysis. Working with GPT-5 took a few weeks of effort, and we estimate that it could have taken several months to get the same results otherwise. At the same time, there are still areas where working with GPT-5 was challenging: it sometimes provided incorrect references, and glossed over details that sometimes took days of work to fill in. We outline our workflow and steps taken to mitigate issues. Overall, our work can serve as additional documentation for a new age of human-AI collaborative work in mathematical science.
Authors: Xiaosen Lyu, Jiayu Xiong, Yuren Chen, Wanlong Wang, Xiaoqing Dai, Jing Wang
Abstract: Multimodal Emotion Recognition in Conversation (MERC) aims to predict speakers' emotions by integrating textual, acoustic, and visual cues. Existing approaches either struggle to capture complex cross-modal interactions or experience gradient conflicts and unstable training when using deeper architectures. To address these issues, we propose Cross-Space Synergy (CSS), which couples a representation component with an optimization component. Synergistic Polynomial Fusion (SPF) serves the representation role, leveraging low-rank tensor factorization to efficiently capture high-order cross-modal interactions. Pareto Gradient Modulator (PGM) serves the optimization role, steering updates along Pareto-optimal directions across competing objectives to alleviate gradient conflicts and improve stability. Experiments show that CSS outperforms existing representative methods on IEMOCAP and MELD in both accuracy and training stability, demonstrating its effectiveness in complex multimodal scenarios.
Authors: Raunak Jain, Mudita Khurana
Abstract: LLM-based agents are increasingly deployed for expert decision support, yet human-AI teams in high-stakes settings do not yet reliably outperform the best individual. We argue this complementarity gap reflects a fundamental mismatch: current agents are trained as answer engines, not as partners in the collaborative sensemaking through which experts actually make decisions. Sensemaking (the ability to co-construct causal explanations, surface uncertainties, and adapt goals) is the key capability that current training pipelines do not explicitly develop or evaluate. We propose Collaborative Causal Sensemaking (CCS) as a research agenda to develop this capability from the ground up, spanning new training environments that reward collaborative thinking, representations for shared human-AI mental models, and evaluation centred on trust and complementarity. Taken together, these directions shift MAS research from building oracle-like answer engines to cultivating AI teammates that co-reason with their human partners over the causal structure of shared decisions, advancing the design of effective human-AI teams.