Authors: Anna Allen, Gonzalo Mateo-Garcia, Itziar Irakulis-Loitxate, Manuel Montesino-San Martin, Marc Watine, James Requeima, Javier Gorro\~no, Cynthia Randles, Tharwat Mokalled, Luis Guanter, Richard E. Turner, Claudio Cifarelli, Manfredi Caltagirone
Abstract: Methane is a potent greenhouse gas, responsible for roughly 30\% of warming since pre-industrial times. A small number of large point sources account for a disproportionate share of emissions, creating an opportunity for substantial reductions by targeting relatively few sites. Detection and attribution of large emissions at scale for notification to asset owners remains challenging. Here, we introduce MARS-S2L, a machine learning model that detects methane emissions in publicly available multispectral satellite imagery. Trained on a manually curated dataset of over 80,000 images, the model provides high-resolution detections every two days, enabling facility-level attribution and identifying 78\% of plumes with an 8\% false positive rate at 697 previously unseen sites. Deployed operationally, MARS-S2L has issued 1,015 notifications to stakeholders in 20 countries, enabling verified, permanent mitigation of six persistent emitters, including a previously unknown site in Libya. These results demonstrate a scalable pathway from satellite detection to quantifiable methane mitigation.
Authors: Chi Zhang, Lin Wang
Abstract: Real-time, physically-consistent predictions on low-power edge devices is critical for the next generation embodied AI systems, yet it remains a major challenge. Physics-Informed Neural Networks (PINNs) combine data-driven learning with physics-based constraints to ensure the model's predictions are with underlying physical principles.However, PINNs are energy-intensive and struggle to strictly enforce physical conservation laws. Brain-inspired spiking neural networks (SNNs) have emerged as a promising solution for edge computing and real-time processing. However, naively converting PINNs to SNNs degrades physical fidelity and fails to address long-term generalization issues. To this end, this paper introduce a novel Physics-Informed Spiking Neural Network (PISNN) framework. Importantly, to ensure strict physical conservation, we design the Conservative Leaky Integrate-and-Fire (C-LIF) neuron, whose dynamics structurally guarantee local mass preservation. To achieve robust temporal generalization, we introduce a novel Conservative Flux Quantization (CFQ) strategy, which redefines neural spikes as discrete packets of physical flux. Our CFQ learns a time-invariant physical evolution operator, enabling the PISNN to become a general-purpose solver -- conservative-by-construction. Extensive experiments show that our PISNN excels on diverse benchmarks. For both the canonical 1D heat equation and the more challenging 2D Laplace's Equation, it accurately simulates the system dynamics while maintaining perfect mass conservation by design -- a feat that is challenging for conventional PINNs. This work establishes a robust framework for fusing the rigor of scientific computing with the efficiency of neuromorphic engineering, paving the way for complex, long-term, and energy-efficient physics predictions for intelligent systems.
Authors: Yesom Park, Kelvin Kan, Thomas Flynn, Yi Huang, Shinjae Yoo, Stanley Osher, Xihaier Luo
Abstract: Implicit Neural Representations (INRs) provide a powerful continuous framework for modeling complex visual and geometric signals, but spectral bias remains a fundamental challenge, limiting their ability to capture high-frequency details. Orthogonal to existing remedy strategies, we introduce Dynamical Implicit Neural Representations (DINR), a new INR modeling framework that treats feature evolution as a continuous-time dynamical system rather than a discrete stack of layers. This dynamical formulation mitigates spectral bias by enabling richer, more adaptive frequency representations through continuous feature evolution. Theoretical analysis based on Rademacher complexity and the Neural Tangent Kernel demonstrates that DINR enhances expressivity and improves training dynamics. Moreover, regularizing the complexity of the underlying dynamics provides a principled way to balance expressivity and generalization. Extensive experiments on image representation, field reconstruction, and data compression confirm that DINR delivers more stable convergence, higher signal fidelity, and stronger generalization than conventional static INRs.
Authors: Edoardo Legnaro, Sabrina Guastavino, Francesco Marchetti
Abstract: In this paper, we introduce a threshold-based framework for multiclass classification that generalizes the standard argmax rule. This is done by replacing the probabilistic interpretation of softmax outputs with a geometric one on the multidimensional simplex, where the classification depends on a multidimensional threshold. This change of perspective enables for any trained classification network an \textit{a posteriori} optimization of the classification score by means of threshold tuning, as usually carried out in the binary setting, thus allowing for a further refinement of the prediction capability of any network. Our experiments show indeed that multidimensional threshold tuning yields performance improvements across various networks and datasets. Moreover, we derive a multiclass ROC analysis based on \emph{ROC clouds} -- the attainable (FPR,TPR) operating points induced by a single multiclass threshold -- and summarize them via a \emph{Distance From Point} (DFP) score to $(0,1)$. This yields a coherent alternative to standard One-vs-Rest (OvR) curves and aligns with the observed tuning gains.
Authors: Ethan Hsu, Harry Chen, Chudi Zhong, Lesia Semenova
Abstract: Real-world machine learning (ML) pipelines rarely produce a single model; instead, they produce a Rashomon set of many near-optimal ones. We show that this multiplicity reshapes key aspects of trustworthiness. At the individual-model level, sparse interpretable models tend to preserve privacy but are fragile to adversarial attacks. In contrast, the diversity within a large Rashomon set enables reactive robustness: even when an attack breaks one model, others often remain accurate. Rashomon sets are also stable under small distribution shifts. However, this same diversity increases information leakage, as disclosing more near-optimal models provides an attacker with progressively richer views of the training data. Through theoretical analysis and empirical studies of sparse decision trees and linear models, we characterize this robustness-privacy trade-off and highlight the dual role of Rashomon sets as both a resource and a risk for trustworthy ML.
Authors: Md. Sad Abdullah Sami, Mushfiquzzaman Abid
Abstract: The rapid expansion of Internet of Things (IoT) deployments across diverse sectors has significantly enhanced operational efficiency, yet concurrently elevated cybersecurity vulnerabilities due to increased exposure to cyber threats. Given the limitations of traditional signature-based Anomaly Detection Systems (ADS) in identifying emerging and zero-day threats, this study investigates the effectiveness of two unsupervised anomaly detection techniques, Isolation Forest (IF) and One-Class Support Vector Machine (OC-SVM), using the TON_IoT thermostat dataset. A comprehensive evaluation was performed based on standard metrics (accuracy, precision, recall, and F1-score) alongside critical resource utilization metrics such as inference time, model size, and peak RAM usage. Experimental results revealed that IF consistently outperformed OC-SVM, achieving higher detection accuracy, superior precision, and recall, along with a significantly better F1-score. Furthermore, Isolation Forest demonstrated a markedly superior computational footprint, making it more suitable for deployment on resource-constrained IoT edge devices. These findings underscore Isolation Forest's robustness in high-dimensional and imbalanced IoT environments and highlight its practical viability for real-time anomaly detection.
Authors: Eric Leonardis, Akira Nagamori, Ayesha Thanawalla, Yuanjia Yang, Joshua Park, Hutton Saunders, Eiman Azim, Talmo Pereira
Abstract: The brain has evolved to effectively control the body, and in order to understand the relationship we need to model the sensorimotor transformations underlying embodied control. As part of a coordinated effort, we are developing a general-purpose platform for behavior-driven simulation modeling high fidelity behavioral dynamics, biomechanics, and neural circuit architectures underlying embodied control. We present a pipeline for taking kinematics data from the neuroscience lab and creating a pipeline for recapitulating those natural movements in a biomechanical model. We implement a imitation learning framework to perform a dexterous forelimb reaching task with a musculoskeletal model in a simulated physics environment. The mouse arm model is currently training at faster than 1 million training steps per second due to GPU acceleration with JAX and Mujoco-MJX. We present results that indicate that adding naturalistic constraints on energy and velocity lead to simulated musculoskeletal activity that better predict real EMG signals. This work provides evidence to suggest that energy and control constraints are critical to modeling musculoskeletal motor control.
Authors: Md. Sad Abdullah Sami, Mushfiquzzaman Abid
Abstract: This study investigates the effectiveness and efficiency of two variants of the XGBoost regression model, the full-capacity and lightweight (tiny) versions, for predicting the concentrations of carbon monoxide (CO) and nitrogen dioxide (NO2). Using the AirQualityUCI dataset collected over one year in an urban environment, we conducted a comprehensive evaluation based on widely accepted metrics, including Mean Absolute Error (MAE), Root Mean Square Error (RMSE), Mean Bias Error (MBE), and the coefficient of determination (R2). In addition, we assessed resource-oriented metrics such as inference time, model size, and peak RAM usage. The full XGBoost model achieved superior predictive accuracy for both pollutants, while the tiny model, though slightly less precise, offered substantial computational benefits with significantly reduced inference time and model storage requirements. These results demonstrate the feasibility of deploying simplified models in resource-constrained environments without compromising predictive quality. This makes the tiny XGBoost model suitable for real-time air-quality monitoring in IoT and embedded applications.
Authors: Eduardo Soares, Emilio Vital Brazil, Victor Shirasuna, Breno W. S. R. de Carvalho, Cristiano Malossi
Abstract: We present PDE-FM, a modular foundation model for physics-informed machine learning that unifies spatial, spectral, and temporal reasoning across heterogeneous partial differential equation (PDE) systems. PDE-FM combines spatial-spectral tokenization, physics-aware conditioning, and a Mamba-based state-space backbone with an operator-theoretic decoder, enabling scalable and data-efficient modeling of complex physical dynamics. In contrast to task-specific neural operators, PDE-FM is pretrained once on diverse PDE datasets and can be transferred to new physical regimes without architectural or data-specific modifications. Evaluated on twelve 2D and 3D datasets from The Well benchmark - spanning hydrodynamic, radiative, elastic, and astrophysical phenomena - PDE-FM achieves state-of-the-art accuracy in six domains, reducing mean VRMSE by 46% relative to prior operator-learning baselines. The model demonstrates robust cross-physics generalization, excelling in turbulent and radiative systems while maintaining strong performance in linear and steady-state regimes. These results suggest that large-scale pretraining across diverse physical processes can yield transferable representations of dynamics, marking a step toward unified, foundation-level surrogates for multi-physics simulation and scientific discovery.
Authors: Akbar Anbar Jafari, Gholamreza Anbarjafari
Abstract: Contemporary autoregressive transformers operate in open loop: each hidden state is computed in a single forward pass and never revised, causing errors to propagate uncorrected through the sequence. We identify this open-loop bottleneck as a fundamental architectural limitation underlying well-documented failures in long-range reasoning, factual consistency, and multi-step planning. To address this limitation, we introduce the closed-loop prediction principle, which requires that models iteratively refine latent representations until reaching a self-consistent equilibrium before committing to each token. We instantiate this principle as Equilibrium Transformers (EqT), which augment standard transformer layers with an Equilibrium Refinement Module that minimizes a learned energy function via gradient descent in latent space. The energy function enforces bidirectional prediction consistency, episodic memory coherence, and output confidence, all computed without external supervision. Theoretically, we prove that EqT performs approximate MAP inference in a latent energy-based model, establish linear convergence guarantees, and show that refinement improves predictions precisely on hard instances where one-shot inference is suboptimal. The framework unifies deep equilibrium models, diffusion language models, and test-time training as special cases. Preliminary experiments on the binary parity task demonstrate +3.28% average improvement on challenging sequences, with gains reaching +8.07% where standard transformers approach random performance, validating that the benefit of deliberation scales with task difficulty. Just as attention mechanisms resolved the sequential bottleneck of recurrent networks, we propose that closed-loop equilibrium may resolve the commitment bottleneck of open-loop autoregression, representing a foundational step toward language models.
Authors: Tiffany Fan, Murray Cutforth, Marta D'Elia, Alexandre Cortiella, Alireza Doostan, Eric Darve
Abstract: Extracting compact, physically interpretable representations from high-dimensional scientific data is a persistent challenge due to the complex, nonlinear structures inherent in physical systems. We propose a Gaussian Mixture Variational Autoencoder (GM-VAE) framework designed to address this by integrating an Expectation-Maximization (EM)-inspired training scheme with a novel spectral interpretability metric. Unlike conventional VAEs that jointly optimize reconstruction and clustering (often leading to training instability), our method utilizes a block-coordinate descent strategy, alternating between expectation and maximization steps. This approach stabilizes training and naturally aligns latent clusters with distinct physical regimes. To objectively evaluate the learned representations, we introduce a quantitative metric based on graph-Laplacian smoothness, which measures the coherence of physical quantities across the latent manifold. We demonstrate the efficacy of this framework on datasets of increasing complexity: surface reaction ODEs, Navier-Stokes wake flows, and experimental laser-induced combustion Schlieren images. The results show that our GM-VAE yields smooth, physically consistent manifolds and accurate regime clustering, offering a robust data-driven tool for interpreting turbulent and reactive flow systems.
Authors: Regan Willis, Jason Bakos
Abstract: Modern machine learning models often combine multiple input streams of data to more accurately capture the information that informs their decisions. In multimodal machine learning, choosing the strategy for fusing data together requires careful consideration of the application's accuracy and latency requirements, as fusing the data at earlier or later stages in the model architecture can lead to performance changes in accuracy and latency. To demonstrate this tradeoff, we investigate different fusion strategies using a hybrid BERT and vision network framework that integrates image and text data. We explore two different vision networks: MobileNetV2 and ViT. We propose three models for each vision network, which fuse data at late, intermediate, and early stages in the architecture. We evaluate the proposed models on the CMU MOSI dataset and benchmark their latency on an NVIDIA Jetson Orin AGX. Our experimental results demonstrate that while late fusion yields the highest accuracy, early fusion offers the lowest inference latency. We describe the three proposed model architectures and discuss the accuracy and latency tradeoffs, concluding that data fusion earlier in the model architecture results in faster inference times at the cost of accuracy.
Authors: Fatemeh Akbarian, Anahita Baninajjar, Yingyi Zhang, Ananth Balashankar, Amir Aminifar
Abstract: Multi-modal foundation models align images, text, and other modalities in a shared embedding space but remain vulnerable to adversarial illusions (Zhang et al., 2025), where imperceptible perturbations disrupt cross-modal alignment and mislead downstream tasks. To counteract the effects of adversarial illusions, we propose a task-agnostic mitigation mechanism that reconstructs the input from the attacker's perturbed input through generative models, e.g., Variational Autoencoders (VAEs), to maintain natural alignment. To further enhance our proposed defense mechanism, we adopt a generative sampling strategy combined with a consensus-based aggregation scheme over the outcomes of the generated samples. Our experiments on the state-of-the-art multi-modal encoders show that our approach substantially reduces the illusion attack success rates to near-zero and improves cross-modal alignment by 4% (42 to 46) and 11% (32 to 43) in unperturbed and perturbed input settings respectively, providing an effective and model-agnostic defense against adversarial illusions.
Authors: Patricia Suriana, Joshua A. Rackers, Ewa M. Nowara, Pedro O. Pinheiro, John M. Nicoloudis, Vishnu Sresht
Abstract: Machine learning models for 3D molecular property prediction typically rely on atom-based representations, which may overlook subtle physical information. Electron density maps -- the direct output of X-ray crystallography and cryo-electron microscopy -- offer a continuous, physically grounded alternative. We compare three voxel-based input types for 3D convolutional neural networks (CNNs): atom types, raw electron density, and density gradient magnitude, across two molecular tasks -- protein-ligand binding affinity prediction (PDBbind) and quantum property prediction (QM9). We focus on voxel-based CNNs because electron density is inherently volumetric, and voxel grids provide the most natural representation for both experimental and computed densities. On PDBbind, all representations perform similarly with full data, but in low-data regimes, density-based inputs outperform atom types, while a shape-based baseline performs comparably -- suggesting that spatial occupancy dominates this task. On QM9, where labels are derived from Density Functional Theory (DFT) but input densities from a lower-level method (XTB), density-based inputs still outperform atom-based ones at scale, reflecting the rich structural and electronic information encoded in density. Overall, these results highlight the task- and regime-dependent strengths of density-derived inputs, improving data efficiency in affinity prediction and accuracy in quantum property modeling.
Authors: Hamid Shamszare, Avishek Choudhury
Abstract: Predicting human trust in AI systems is crucial for safe integration of AI-based decision support tools, especially in healthcare. This study proposes a multi-modal machine learning framework that combines image and galvanic skin response (GSR) data to predict early user trust in AI- or human-generated recommendations in a simulated ADHD mHealth context. Facial video data were processed using OpenCV for frame extraction and transferred learning with a pre-trained transformer model to derive emotional features. Concurrently, GSR signals were decomposed into tonic and phasic components to capture physiological arousal patterns. Two temporal windows were defined for trust prediction: the Early Detection Window (6 to 3 seconds before decision-making) and the Proximal Detection Window (3 to 0 seconds before decision-making). For each window, trust prediction was conducted separately using image-based, GSR-based, and multimodal (image + GSR) features. Each modality was analyzed using machine learning algorithms, and the top-performing unimodal models were integrated through a multimodal stacking ensemble for final prediction. Experimental results showed that combining facial and physiological cues significantly improved prediction performance. The multimodal stacking framework achieved an accuracy of 0.83, F1-score of 0.88, and ROC-AUC of 0.87 in the Early Detection Window, and an accuracy of 0.75, F1-score of 0.82, and ROC-AUC of 0.66 in the Proximal Detection Window. These results demonstrate the potential of bio signals as real-time, objective markers of user trust, enabling adaptive AI systems that dynamically adjust their responses to maintain calibrated trust which is a critical capability in mental health applications where mis-calibrated trust can affect diagnostic and treatment outcomes.
Authors: Xinyu Liu, Xu Zhang, Can Chen, Ren Wang
Abstract: Understanding how backdoor data influences neural network training dynamics remains a complex and underexplored challenge. In this paper, we present a rigorous analysis of the impact of backdoor data on the learning process, with a particular focus on the distinct behaviors between the target class and other clean classes. Leveraging the Information Bottleneck (IB) principle connected with clustering of internal representation, We find that backdoor attacks create unique mutual information (MI) signatures, which evolve across training phases and differ based on the attack mechanism. Our analysis uncovers a surprising trade-off: visually conspicuous attacks like BadNets can achieve high stealthiness from an information-theoretic perspective, integrating more seamlessly into the model than many visually imperceptible attacks. Building on these insights, we propose a novel, dynamics-based stealthiness metric that quantifies an attack's integration at the model level. We validate our findings and the proposed metric across multiple datasets and diverse attack types, offering a new dimension for understanding and evaluating backdoor threats. Our code is available in: https://github.com/XinyuLiu71/Information_Bottleneck_Backdoor.git.
URLs: https://github.com/XinyuLiu71/Information_Bottleneck_Backdoor.git.
Authors: Yifan Zhou, Sachin Grover, Mohamed El Mistiri, Kamalesh Kalirathnam, Pratyush Kerhalkar, Swaroop Mishra, Neelesh Kumar, Sanket Gaurav, Oya Aran, Heni Ben Amor
Abstract: Reinforcement Learning (RL) traditionally relies on scalar reward signals, limiting its ability to leverage the rich semantic knowledge often available in real-world tasks. In contrast, humans learn efficiently by combining numerical feedback with language, prior knowledge, and common sense. We introduce Prompted Policy Search (ProPS), a novel RL method that unifies numerical and linguistic reasoning within a single framework. Unlike prior work that augment existing RL components with language, ProPS places a large language model (LLM) at the center of the policy optimization loop-directly proposing policy updates based on both reward feedback and natural language input. We show that LLMs can perform numerical optimization in-context, and that incorporating semantic signals, such as goals, domain knowledge, and strategy hints can lead to more informed exploration and sample-efficient learning. ProPS is evaluated across fifteen Gymnasium tasks, spanning classic control, Atari games, and MuJoCo environments, and compared to seven widely-adopted RL algorithms (e.g., PPO, SAC, TRPO). It outperforms all baselines on eight out of fifteen tasks and demonstrates substantial gains when provided with domain knowledge. These results highlight the potential of unifying semantics and numerics for transparent, generalizable, and human-aligned RL.
Authors: Henry Salgado, Meagan Kendall, Martine Ceberio
Abstract: In this work, we propose a simple and computationally efficient framework to evaluate whether machine learning models align with the structure of the data they learn from; that is, whether \textit{the model says what the data says}. Unlike existing interpretability methods that focus exclusively on explaining model behavior, our approach establishes a baseline derived directly from the data itself. Drawing inspiration from Rubin's Potential Outcomes Framework, we quantify how strongly each feature separates the two outcome groups in a binary classification task, moving beyond traditional descriptive statistics to estimate each feature's effect on the outcome. By comparing these data-derived feature rankings against model-based explanations, we provide practitioners with an interpretable and model-agnostic method to assess model--data alignment.
Authors: Swathi Chandrasekhar, Shiva Raj Pokhrel, Swati Kumari, Navneet Singh
Abstract: Escalating cyber threats and the high-dimensional complexity of IoT traffic have outpaced classical anomaly detection methods. While deep learning offers improvements, computational bottlenecks limit real-time deployment at scale. We present a quantum autoencoder (QAE) framework that compresses network traffic into discriminative latent representations and employs quantum support vector classification (QSVC) for intrusion detection. Evaluated on three datasets, our approach achieves improved accuracy on ideal simulators and on the IBM Quantum hardware demonstrating practical quantum advantage on current NISQ devices. Crucially, moderate depolarizing noise acts as implicit regularization, stabilizing training and enhancing generalization. This work establishes quantum machine learning as a viable, hardware-ready solution for real-world cybersecurity challenges.
Authors: Tao Zhe, Huazhen Fang, Kunpeng Liu, Qian Lou, Tamzidul Hoque, Dongjie Wang
Abstract: Feature transformation enhances downstream task performance by generating informative features through mathematical feature crossing. Despite the advancements in deep learning, feature transformation remains essential for structured data, where deep models often struggle to capture complex feature interactions. Prior literature on automated feature transformation has achieved success but often relies on heuristics or exhaustive searches, leading to inefficient and time-consuming processes. Recent works employ reinforcement learning (RL) to enhance traditional approaches through a more effective trial-and-error way. However, two limitations remain: 1) Dynamic feature expansion during the transformation process, which causes instability and increases the learning complexity for RL agents; 2) Insufficient cooperation and communication between agents, which results in suboptimal feature crossing operations and degraded model performance. To address them, we propose a novel heterogeneous multi-agent RL framework to enable cooperative and scalable feature transformation. The framework comprises three heterogeneous agents, grouped into two types, each designed to select essential features and operations for feature crossing. To enhance communication among these agents, we implement a shared critic mechanism that facilitates information exchange during feature transformation. To handle the dynamically expanding feature space, we tailor multi-head attention-based feature agents to select suitable features for feature crossing. Additionally, we introduce a state encoding technique during the optimization process to stabilize and enhance the learning dynamics of the RL agents, resulting in more robust and reliable transformation policies. Finally, we conduct extensive experiments to validate the effectiveness, efficiency, robustness, and interpretability of our model.
Authors: Natalie Collina, Eshwar Ram Arunachaleswaran, Meena Jagadeesan
Abstract: AI agents are increasingly deployed in ecosystems where they repeatedly interact not only with each other but also with humans. In this work, we study these human-AI ecosystems from a theoretical perspective, focusing on the classical framework of repeated pricing games. In our stylized model, the AI agents play equilibrium strategies, and one or more humans manually perform the pricing task instead of adopting an AI agent, thereby defecting to a no-regret strategy. Motivated by how populations of AI agents can sustain supracompetitive prices, we investigate whether high prices persist under such defections. Our main finding is that even a single human defection can destabilize collusion and drive down prices, and multiple defections push prices even closer to competitive levels. We further show how the nature of collusion changes under defection-aware AI agents. Taken together, our results characterize when algorithmic collusion is fragile--and when it persists--in mixed ecosystems of AI agents and humans.
Authors: Kiran Nair, Hubert Cecotti
Abstract: Non-invasive Brain-Computer Interfaces (BCIs) based on Code-Modulated Visual Evoked Potentials (C-VEPs) require highly robust decoding methods to address temporal variability and session-dependent noise in EEG signals. This study proposes and evaluates several deep learning architectures, including convolutional neural networks (CNNs) for 63-bit m-sequence reconstruction and classification, and Siamese networks for similarity-based decoding, alongside canonical correlation analysis (CCA) baselines. EEG data were recorded from 13 healthy adults under single-target flicker stimulation. The proposed deep models significantly outperformed traditional approaches, with distance-based decoding using Earth Mover's Distance (EMD) and constrained EMD showing greater robustness to latency variations than Euclidean and Mahalanobis metrics. Temporal data augmentation with small shifts further improved generalization across sessions. Among all models, the multi-class Siamese network achieved the best overall performance with an average accuracy of 96.89%, demonstrating the potential of data-driven deep architectures for reliable, single-trial C-VEP decoding in adaptive non-invasive BCI systems.
Authors: Krishna Khadka, Sunny Shree, Pujan Budhathoki, Yu Lei, Raghu Kacker, D. Richard Kuhn
Abstract: Machine learning models are increasingly used in critical applications but are mostly "black boxes" due to their lack of transparency. Local explanation approaches, such as LIME, address this issue by approximating the behavior of complex models near a test instance using simple, interpretable models. However, these approaches often suffer from instability and poor local fidelity. In this paper, we propose a novel approach called Adversarially Bracketed Local Explanation (ABLE) to address these limitations. Our approach first generates a set of neighborhood points near the test instance, x_test, by adding bounded Gaussian noise. For each neighborhood point D, we apply an adversarial attack to generate an adversarial point A with minimal perturbation that results in a different label than D. A second adversarial attack is then performed on A to generate a point A' that has the same label as D (and thus different than A). The points A and A' form an adversarial pair that brackets the local decision boundary for x_test. We then train a linear model on these adversarial pairs to approximate the local decision boundary. Experimental results on six UCI benchmark datasets across three deep neural network architectures demonstrate that our approach achieves higher stability and fidelity than the state-of-the-art.
Authors: Hongyu Yang, Chunxi Wen, Jiyin Zhang, Nanfei Shen, Shijiao Zhang, Xiyan Han
Abstract: Click-through rates prediction is critical in modern advertising systems, where ranking relevance and user engagement directly impact platform efficiency and business value. In this project, we explore how to model CTR more effectively using a large-scale Taobao dataset released by Alibaba. We start with supervised learning models, including logistic regression and Light-GBM, that are trained on static features such as user demographics, ad attributes, and contextual metadata. These models provide fast, interpretable benchmarks, but have limited capabilities to capture patterns of behavior that drive clicks. To better model user intent, we combined behavioral data from hundreds of millions of interactions over a 22-day period. By extracting and encoding user action sequences, we construct representations of user interests over time. We use deep learning models to fuse behavioral embeddings with static features. Among them, multilayer perceptrons (MLPs) have achieved significant performance improvements. To capture temporal dynamics, we designed a Transformer-based architecture that uses a self-attention mechanism to learn contextual dependencies across behavioral sequences, modeling not only what the user interacts with, but also the timing and frequency of interactions. Transformer improves AUC by 2.81 % over the baseline (LR model), with the largest gains observed for users whose interests are diverse or change over time. In addition to modeling, we propose an A/B testing strategy for real-world evaluation. We also think about the broader implications: personalized ad targeting technology can be applied to public health scenarios to achieve precise delivery of health information or behavior guidance. Our research provides a roadmap for advancing click-through rate predictions and extending their value beyond e-commerce.
Authors: Houbo He, Yizhou Xu, Lei Xia, Yaolong Hu, Fan Cai, Taiyun Chi
Abstract: This paper presents a systematic study on developing multi-template machine learning (ML) surrogate models and applying them to the inverse design of transformers (XFMRs) in radio-frequency integrated circuits (RFICs). Our study starts with benchmarking four widely used ML architectures, including MLP-, CNN-, UNet-, and GT-based models, using the same datasets across different XFMR topologies. To improve modeling accuracy beyond these baselines, we then propose a new frequency-domain self-transfer learning technique that exploits correlations between adjacent frequency bands, leading to around 30%-50% accuracy improvement in the S-parameters prediction. Building on these models, we further develop an inverse design framework based on the covariance matrix adaptation evolutionary strategy (CMA-ES) algorithm. This framework is validated using multiple impedance-matching tasks, all demonstrating fast convergence and trustworthy performance. These results advance the goal of AI-assisted specs-to-GDS automation for RFICs and provide RFIC designers with actionable tools for integrating AI into their workflows.
Authors: Shaona Ghosh, Barnaby Simkin, Kyriacos Shiarlis, Soumili Nandi, Dan Zhao, Matthew Fiedler, Julia Bazinska, Nikki Pope, Roopa Prabhu, Daniel Rohrer, Michael Demoret, Bartley Richardson
Abstract: This paper introduces a dynamic and actionable framework for securing agentic AI systems in enterprise deployment. We contend that safety and security are not merely fixed attributes of individual models but also emergent properties arising from the dynamic interactions among models, orchestrators, tools, and data within their operating environments. We propose a new way of identification of novel agentic risks through the lens of user safety. Although, for traditional LLMs and agentic models in isolation, safety and security has a clear separation, through the lens of safety in agentic systems, they appear to be connected. Building on this foundation, we define an operational agentic risk taxonomy that unifies traditional safety and security concerns with novel, uniquely agentic risks, including tool misuse, cascading action chains, and unintended control amplification among others. At the core of our approach is a dynamic agentic safety and security framework that operationalizes contextual agentic risk management by using auxiliary AI models and agents, with human oversight, to assist in contextual risk discovery, evaluation, and mitigation. We further address one of the most challenging aspects of safety and security of agentic systems: risk discovery through sandboxed, AI-driven red teaming. We demonstrate the framework effectiveness through a detailed case study of NVIDIA flagship agentic research assistant, AI-Q Research Assistant, showcasing practical, end-to-end safety and security evaluations in complex, enterprise-grade agentic workflows. This risk discovery phase finds novel agentic risks that are then contextually mitigated. We also release the dataset from our case study, containing traces of over 10,000 realistic attack and defense executions of the agentic workflow to help advance research in agentic safety.
Authors: Shaun Fallat, Kamyar Khodamoradi, David Kirkpatrick, Valerii Maliuk, S. Ahmad Mojallal, Sandra Zilles
Abstract: We study the problem of learning hypergraphs with shortest-path queries (SP-queries), and present the first provably optimal online algorithm for a broad and natural class of hypertrees that we call orderly hypertrees. Our online algorithm can be transformed into a provably optimal offline algorithm. Orderly hypertrees can be positioned within the Fagin hierarchy of acyclic hypergraph (well-studied in database theory), and strictly encompass the broadest class in this hierarchy that is learnable with subquadratic SP-query complexity. Recognizing that in some contexts, such as evolutionary tree reconstruction, distance measurements can degrade with increased distance, we also consider a learning model that uses bounded distance queries. In this model, we demonstrate asymptotically tight complexity bounds for learning general hypertrees.
Authors: Elon Litman
Abstract: We liberate Equilibrium Propagation (EP) from the limit of infinitesimal perturbations by establishing a finite-nudge foundation for local credit assignment. By modeling network states as Gibbs-Boltzmann distributions rather than deterministic points, we prove that the gradient of the difference in Helmholtz free energy between a nudged and free phase is exactly the difference in expected local energy derivatives. This validates the classic Contrastive Hebbian Learning update as an exact gradient estimator for arbitrary finite nudging, requiring neither infinitesimal approximations nor convexity. Furthermore, we derive a generalized EP algorithm based on the path integral of loss-energy covariances, enabling learning with strong error signals that standard infinitesimal approximations cannot support.
Authors: Geun-Deok Jang, Dong-Kyun Han, Seo-Hyeon Park, Seong-Whan Lee
Abstract: Drowsy driving is a growing cause of traffic accidents, prompting recent exploration of electroencephalography (EEG)-based drowsiness detection systems. However, the inherent variability of EEG signals due to psychological and physical factors necessitates a cumbersome calibration process. In particular, the inter-subject variability of EEG signals leads to a domain shift problem, which makes it challenging to generalize drowsiness detection models to unseen target subjects. To address these issues, we propose a novel driver drowsiness detection framework that leverages online test-time adaptation (TTA) methods to dynamically adjust to target subject distributions. Our proposed method updates the learnable parameters in batch normalization (BN) layers, while preserving pretrained normalization statistics, resulting in a modified configuration that ensures effective adaptation during test time. We incorporate a memory bank that dynamically manages streaming EEG segments, selecting samples based on their reliability determined by negative energy scores and persistence time. In addition, we introduce prototype learning to ensure robust predictions against distribution shifts over time. We validated our method on the sustained-attention driving dataset collected in a simulated environment, where drowsiness was estimated from delayed reaction times during monotonous lane-keeping tasks. Our experiments show that our method outperforms all baselines, achieving an average F1-score of 81.73\%, an improvement of 11.73\% over the best TTA baseline. This demonstrates that our proposed method significantly enhances the adaptability of EEG-based drowsiness detection systems in non-i.i.d. scenarios.
Authors: Yejia Liu, Zhifeng Wu, Pengfei Li, Shaolei Ren
Abstract: The electric power sector is a leading source of air pollutant emissions, impacting the public health of nearly every community. Although regulatory measures have reduced air pollutants, fossil fuels remain a significant component of the energy supply, highlighting the need for more advanced demand-side approaches to reduce the public health impacts. To enable health-informed demand-side management, we introduce HealthPredictor, a domain-specific AI model that provides an end-to-end pipeline linking electricity use to public health outcomes. The model comprises three components: a fuel mix predictor that estimates the contribution of different generation sources, an air quality converter that models pollutant emissions and atmospheric dispersion, and a health impact assessor that translates resulting pollutant changes into monetized health damages. Across multiple regions in the United States, our health-driven optimization framework yields substantially lower prediction errors in terms of public health impacts than fuel mix-driven baselines. A case study on electric vehicle charging schedules illustrates the public health gains enabled by our method and the actionable guidance it can offer for health-informed energy management. Overall, this work shows how AI models can be explicitly designed to enable health-informed energy management for advancing public health and broader societal well-being. Our datasets and code are released at: https://github.com/Ren-Research/Health-Impact-Predictor.
URLs: https://github.com/Ren-Research/Health-Impact-Predictor.
Authors: Yiran Zhang, Weihang Xu, Mo Zhou, Maryam Fazel, Simon Shaolei Du
Abstract: Score matching has become a central training objective in modern generative modeling, particularly in diffusion models, where it is used to learn high-dimensional data distributions through the estimation of score functions. Despite its empirical success, the theoretical understanding of the optimization behavior of score matching, particularly in over-parameterized regimes, remains limited. In this work, we study gradient descent for training over-parameterized models to learn a single Gaussian distribution. Specifically, we use a student model with $n$ learnable parameters and train it on data generated from a single ground-truth Gaussian using the population score matching objective. We analyze the optimization dynamics under multiple regimes. When the noise scale is sufficiently large, we prove a global convergence result for gradient descent. In the low-noise regime, we identify the existence of a stationary point, highlighting the difficulty of proving global convergence in this case. Nevertheless, we show convergence under certain initialization conditions: when the parameters are initialized to be exponentially small, gradient descent ensures convergence of all parameters to the ground truth. We further prove that without the exponentially small initialization, the parameters may not converge to the ground truth. Finally, we consider the case where parameters are randomly initialized from a Gaussian distribution far from the ground truth. We prove that, with high probability, only one parameter converges while the others diverge, yet the loss still converges to zero with a $1/\tau$ rate, where $\tau$ is the number of iterations. We also establish a nearly matching lower bound on the convergence rate in this regime. This is the first work to establish global convergence guarantees for Gaussian mixtures with at least three components under the score matching framework.
Authors: Jinhao Li, Hao Wang
Abstract: Accurate electric vehicle (EV) charging demand forecasting is essential for stable grid operation and proactive EV participation in electricity market. Existing forecasting methods, particularly those based on graph neural networks, are often limited to modeling pairwise relationships between stations, failing to capture the complex, group-wise dynamics inherent in urban charging networks. To address this gap, we develop a novel forecasting framework namely HyperCast, leveraging the expressive power of hypergraphs to model the higher-order spatiotemporal dependencies hidden in EV charging patterns. HyperCast integrates multi-view hypergraphs, which capture both static geographical proximity and dynamic demand-based functional similarities, along with multi-timescale inputs to differentiate between recent trends and weekly periodicities. The framework employs specialized hyper-spatiotemporal blocks and tailored cross-attention mechanisms to effectively fuse information from these diverse sources: views and timescales. Extensive experiments on four public datasets demonstrate that HyperCast significantly outperforms a wide array of state-of-the-art baselines, demonstrating the effectiveness of explicitly modeling collective charging behaviors for more accurate forecasting.
Authors: Simone Mungari, Albert Bifet, Giuseppe Manco, Bernhard Pfahringer
Abstract: Many real-world scenarios involving streaming information can be represented as temporal graphs, where data flows through dynamic changes in edges over time. Anomaly detection in this context has the objective of identifying unusual temporal connections within the graph structure. Detecting edge anomalies in real time is crucial for mitigating potential risks. Unlike traditional anomaly detection, this task is particularly challenging due to concept drifts, large data volumes, and the need for real-time response. To face these challenges, we introduce ARES, an unsupervised anomaly detection framework for edge streams. ARES combines Graph Neural Networks (GNNs) for feature extraction with Half-Space Trees (HST) for anomaly scoring. GNNs capture both spike and burst anomalous behaviors within streams by embedding node and edge properties in a latent space, while HST partitions this space to isolate anomalies efficiently. ARES operates in an unsupervised way without the need for prior data labeling. To further validate its detection capabilities, we additionally incorporate a simple yet effective supervised thresholding mechanism. This approach leverages statistical dispersion among anomaly scores to determine the optimal threshold using a minimal set of labeled data, ensuring adaptability across different domains. We validate ARES through extensive evaluations across several real-world cyber-attack scenarios, comparing its performance against existing methods while analyzing its space and time complexity.
Authors: Tianle Li, Yongzhi Huang, Linshan Jiang, Chang Liu, Qipeng Xie, Wenfeng Du, Lu Wang, Kaishun Wu
Abstract: In federated learning (FL), models must \emph{converge quickly} under tight communication budgets while \emph{generalizing} across non-IID client distributions. These twin requirements have naturally led to two widely used techniques: client/server \emph{momentum} to accelerate progress, and \emph{sharpness-aware minimization} (SAM) to prefer flat solutions. However, simply combining momentum and SAM leaves two structural issues unresolved in non-IID FL. We identify and formalize two failure modes: \emph{local-global curvature misalignment} (local SAM directions need not reflect the global loss geometry) and \emph{momentum-echo oscillation} (late-stage instability caused by accumulated momentum). To our knowledge, these failure modes have not been jointly articulated and addressed in the FL literature. We propose \textbf{FedWMSAM} to address both failure modes. First, we construct a momentum-guided global perturbation from server-aggregated momentum to align clients' SAM directions with the global descent geometry, enabling a \emph{single-backprop} SAM approximation that preserves efficiency. Second, we couple momentum and SAM via a cosine-similarity adaptive rule, yielding an early-momentum, late-SAM two-phase training schedule. We provide a non-IID convergence bound that \emph{explicitly models the perturbation-induced variance} $\sigma_\rho^2=\sigma^2+(L\rho)^2$ and its dependence on $(S, K, R, N)$ on the theory side. We conduct extensive experiments on multiple datasets and model architectures, and the results validate the effectiveness, adaptability, and robustness of our method, demonstrating its superiority in addressing the optimization challenges of Federated Learning. Our code is available at https://github.com/Huang-Yongzhi/NeurlPS_FedWMSAM.
Authors: Jiayu Liu, Chong Liu, Trevor Rhone, Yinan Wang
Abstract: Recent efforts in smart manufacturing have enhanced aerospace fuselage assembly processes, particularly by innovating shape adjustment techniques to minimize dimensional gaps between assembled sections. Existing approaches have shown promising results but face the issue of low sample efficiency from the manufacturing systems. It arises from the limitation of the classical Monte Carlo method when uncovering the mean response from a distribution. In contrast, recent work has shown that quantum algorithms can achieve the same level of estimation accuracy with significantly fewer samples than the classical Monte Carlo method from distributions. Therefore, we can adopt the estimation of the quantum algorithm to obtain the estimation from real physical systems (distributions). Motivated by this advantage, we propose a Quantum Bayesian Optimization (QBO) framework for precise shape control during assembly to improve the sample efficiency in manufacturing practice. Specifically, this approach utilizes a quantum oracle, based on finite element analysis (FEA)-based models or surrogate models, to acquire a more accurate estimation of the environment response with fewer queries for a certain input. QBO employs an Upper Confidence Bound (UCB) as the acquisition function to strategically select input values that are most likely to maximize the objective function. It has been theoretically proven to require much fewer samples while maintaining comparable optimization results. In the case study, force-controlled actuators are applied to one fuselage section to adjust its shape and reduce the gap to the adjoining section. Experimental results demonstrate that QBO achieves significantly lower dimensional error and uncertainty compared to classical methods, particularly using the same queries from the simulation.
Authors: Daniel Agyei Asante, Md Mokarram Chowdhury, Yang Li
Abstract: Large language models (LLMs) have driven major advances across domains, yet their massive size hinders deployment in resource-constrained settings. Model compression addresses this challenge, with low-rank factorization emerging as a particularly effective method for reducing size, memory, and computation while maintaining accuracy. However, while these compressed models boast of benign performance and system-level advantages, their trustworthiness implications remain poorly understood. In this paper, we present the first comprehensive study of how low-rank factorization affects LLM trustworthiness across privacy, adversarial robustness, fairness, and ethical alignment. We evaluate multiple LLMs of different sizes and variants compressed with diverse low-rank algorithms, revealing key insights: (1) low-rank compression preserves or improves training data privacy but weakens PII protection during conversation; (2) adversarial robustness is generally preserved and often enhanced, even under deep compression; (3) ethical reasoning degrades in zero-shot settings but partially recovers with few-shot prompting; (4) fairness declines under compression. Beyond compression, we investigate how model scale and fine-tuning affect trustworthiness, as both are important in low-rank methods. To guide trustworthy compression strategies, we end our paper with a gradient-based attribution analysis to identify which layers in LLMs contribute most to adversarial robustness.
Authors: Zhaofeng Zhang
Abstract: The report goes through the main steps of replicating and improving the article "Adaptive Liquidity Provision in Uniswap V3 with Deep Reinforcement Learning." The replication part includes how to obtain data from the Uniswap Subgraph, details of the implementation, and comments on the results. After the replication, I propose a new structure based on the original model, which combines Mamba with DDQN and a new reward function. In this new structure, I clean the data again and introduce two new baselines for comparison. As a result, although the model has not yet been applied to all datasets, it shows stronger theoretical support than the original model and performs better in some tests.
Authors: Quan Zhou, Shie Mannor
Abstract: We study the problem of selecting a small, representative action subset from an extremely large action space shared across a family of reinforcement learning (RL) environments -- a fundamental challenge in applications like inventory management and recommendation systems, where direct learning over the entire space is intractable. Our goal is to identify a fixed subset of actions that, for every environment in the family, contains a near-optimal action, thereby enabling efficient learning without exhaustively evaluating all actions. This work extends our prior results for meta-bandits to the more general setting of Markov Decision Processes (MDPs). We prove that our existing algorithm achieves performance comparable to using the full action space. This theoretical guarantee is established under a relaxed, non-centered sub-Gaussian process model, which accommodates greater environmental heterogeneity. Consequently, our approach provides a computationally and sample-efficient solution for large-scale combinatorial decision-making under uncertainty.
Authors: Saad Masrur, Ismail Guvenc, David Lopez Perez
Abstract: Dynamic sleep mode optimization (SMO) in millimeter-wave (mmWave) networks is essential for maximizing energy efficiency (EE) under stringent quality-of-service (QoS) constraints. However, existing optimization and reinforcement learning (RL) approaches rely on aggregated, static base station (BS) traffic models that fail to capture non-stationary traffic dynamics and suffer from large state-action spaces, limiting real-world deployment. To address these challenges, this paper proposes a multi-agent deep reinforcement learning (MARL) framework using a Double Deep Q-Network (DDQN), referred to as MARL-DDQN, for adaptive SMO in a 3D urban environment with a time-varying and community-based user equipment (UE) mobility model. Unlike conventional single-agent RL, MARL-DDQN enables scalable, distributed decision-making with minimal signaling overhead. A realistic BS power consumption model and beamforming are integrated to accurately quantify EE, while QoS is defined in terms of throughput. The method adapts SMO policies to maximize EE while mitigating inter-cell interference and ensuring throughput fairness. Simulations show that MARL-DDQN outperforms state-of-the-art strategies, including All On, iterative QoS-aware load-based (IT-QoS-LB), MARL-DDPG, and MARL-PPO, achieving up to 0.60 Mbit/Joule EE, 8.5 Mbps 10th-percentile throughput, and meeting QoS constraints 95% of the time under dynamic scenarios.
Authors: Zhou Biyan, Arindam Basu
Abstract: The number of simultaneously recorded neurons follows an exponentially increasing trend in implantable brain-machine interfaces (iBMIs). Integrating the neural decoder in the implant is an effective data compression method for future wireless iBMIs. However, the non-stationarity of the system makes the performance of the decoder unreliable. To avoid frequent retraining of the decoder and to ensure the safety and comfort of the iBMI user, continuous learning is essential for real-life applications. Since Deep Spiking Neural Networks (DSNNs) are being recognized as a promising approach for developing resource-efficient neural decoder, we propose continuous learning approaches with Reinforcement Learning (RL) algorithms adapted for DSNNs. Banditron and AGREL are chosen as the two candidate RL algorithms since they can be trained with limited computational resources, effectively addressing the non-stationary problem and fitting the energy constraints of implantable devices. To assess the effectiveness of the proposed methods, we conducted both open-loop and closed-loop experiments. The accuracy of open-loop experiments conducted with DSNN Banditron and DSNN AGREL remains stable over extended periods. Meanwhile, the time-to-target in the closed-loop experiment with perturbations, DSNN Banditron performed comparably to that of DSNN AGREL while achieving reductions of 98% in memory access usage and 99% in the requirements for multiply- and-accumulate (MAC) operations during training. Compared to previous continuous learning SNN decoders, DSNN Banditron requires 98% less computes making it a prime candidate for future wireless iBMI systems.
Authors: Reza Mansouri, Dustin Kempton, Pete Riley, Rafal Angryk
Abstract: The solar wind, a continuous stream of charged particles from the Sun's corona, shapes the heliosphere and impacts space systems near Earth. Variations such as high-speed streams and coronal mass ejections can disrupt satellites, power grids, and communications, making accurate modeling essential for space weather forecasting. While 3D magnetohydrodynamic (MHD) models are used to simulate and investigate these variations in the solar wind, they tend to be computationally expensive, limiting their usefulness in investigating the impacts of boundary condition uncertainty. In this work, we develop a surrogate for steady state solar wind modeling, using a Spherical Fourier Neural Operator (SFNO). We compare our model to a previously developed numerical surrogate for this task called HUX, and we show that the SFNO achieves comparable or better performance across several metrics. Though HUX retains advantages in physical smoothness, this underscores the need for improved evaluation criteria rather than a flaw in SFNO. As a flexible and trainable approach, SFNO enables efficient real-time forecasting and can improve with more data. The source code and more visual results are available at https://github.com/rezmansouri/solarwind-sfno-velocity.
URLs: https://github.com/rezmansouri/solarwind-sfno-velocity.
Authors: Youran Zhou, Mohamed Reda Bouadjenek, Sunil Aryal%
Abstract: Handling missing data remains a fundamental challenge in real-world tabular datasets, especially when data are heterogeneous with both numerical and categorical features. Existing imputation methods often fail to capture complex structural dependencies and handle heterogeneous data effectively. We present \textbf{IVGAE}, a Variational Graph Autoencoder framework for robust imputation of incomplete heterogeneous data. IVGAE constructs a bipartite graph to represent sample-feature relationships and applies graph representation learning to model structural dependencies. A key innovation is its \textit{dual-decoder architecture}, where one decoder reconstructs feature embeddings and the other models missingness patterns, providing structural priors aware of missing mechanisms. To better encode categorical variables, we introduce a Transformer-based heterogeneous embedding module that avoids high-dimensional one-hot encoding. Extensive experiments on 16 real-world datasets show that IVGAE achieves consistent improvements in RMSE and downstream F1 across MCAR, MAR, and MNAR missing scenarios under 30\% missing rates. Code and data are available at: https://github.com/echoid/IVGAE.
Authors: John J. Vastola, Samuel J. Gershman, Kanaka Rajan
Abstract: Dimensionality reduction algorithms like principal component analysis (PCA) are workhorses of machine learning and neuroscience, but each has well-known limitations. Variants of PCA are simple and interpretable, but not flexible enough to capture nonlinear data manifold structure. More flexible approaches have other problems: autoencoders are generally difficult to interpret, and graph-embedding-based methods can produce pathological distortions in manifold geometry. Motivated by these shortcomings, we propose a variational framework that casts dimensionality reduction algorithms as solutions to an optimal manifold embedding problem. By construction, this framework permits nonlinear embeddings, allowing its solutions to be more flexible than PCA. Moreover, the variational nature of the framework has useful consequences for interpretability: each solution satisfies a set of partial differential equations, and can be shown to reflect symmetries of the embedding objective. We discuss these features in detail and show that solutions can be analytically characterized in some cases. Interestingly, one special case exactly recovers PCA.
Authors: Gilbert Yang, Yaqin Chen, Thomson Yen, Hongseok Namkoong
Abstract: To reliably navigate ever-shifting real-world environments, agents must grapple with incomplete knowledge and adapt their behavior through experience. However, current evaluations largely focus on tasks that leave no ambiguity, and do not measure agents' ability to adaptively learn and reason through the experiences they accrued. We exemplify the need for this in-context experiential learning in a product recommendation context, where agents must navigate shifting customer preferences and product landscapes through natural language dialogue. We curate a benchmark for experiential learning and active exploration (BELA) that combines (1) rich real-world products from Amazon, (2) a diverse collection of user personas to represent heterogeneous yet latent preferences, and (3) a LLM user simulator powered by the persona to create rich interactive trajectories. We observe that current frontier models struggle to meaningfully improve across episodes, underscoring the need for agentic systems with strong in-context learning capabilities.
Authors: Sahil Kashyap, Rajdip Nayek
Abstract: This work presents a probabilistic digital twin framework for response prediction in dynamical systems governed by misspecified physics. The approach integrates Gaussian Process Latent Force Models (GPLFM) and Bayesian Neural Networks (BNNs) to enable end-to-end uncertainty-aware inference and prediction. In the diagnosis phase, model-form errors (MFEs) are treated as latent input forces to a nominal linear dynamical system and jointly estimated with system states using GPLFM from sensor measurements. A BNN is then trained on posterior samples to learn a probabilistic nonlinear mapping from system states to MFEs, while capturing diagnostic uncertainty. For prognosis, this mapping is used to generate pseudo-measurements, enabling state prediction via Kalman filtering. The framework allows for systematic propagation of uncertainty from diagnosis to prediction, a key capability for trustworthy digital twins. The framework is demonstrated using four nonlinear examples: a single degree of freedom (DOF) oscillator, a multi-DOF system, and two established benchmarks -- the Bouc-Wen hysteretic system and the Silverbox experimental dataset -- highlighting its predictive accuracy and robustness to model misspecification.
Authors: Mohd Ariful Haque (Clark Atlanta University), Fahad Rahman (United International University), Kishor Datta Gupta (Clark Atlanta University), Khalil Shujaee (Clark Atlanta University), Roy George (Clark Atlanta University)
Abstract: This paper investigates the effectiveness of small language models (SLMs) for agentic tasks (function/tool/API calling) with a focus on running agents on edge devices without reliance on cloud infrastructure. We evaluate SLMs using the Berkeley Function Calling Leaderboard (BFCL) framework and describe parameter-driven optimization strategies that include supervised fine-tuning (SFT), parameter-efficient fine-tuning (PEFT), reinforcement learning (RL)-based optimization, preference alignment via Direct Preference Optimization (DPO), and hybrid methods. We report results for models including TinyAgent, TinyLlama, Qwen, and xLAM across BFCL categories (simple, multiple, parallel, parallel-multiple, and relevance detection), both in live and non-live settings, and in multi-turn evaluations. We additionally detail a DPO training pipeline constructed from AgentBank data (e.g., ALFRED), including our conversion of SFT data to chosen-rejected pairs using TinyLlama responses as rejected outputs and manual validation. Our results demonstrate clear accuracy differences across model scales where medium-sized models (1-3B parameters) significantly outperform ultra-compact models (<1B parameters), achieving up to 65.74% overall accuracy, and 55.62% multi-turn accuracy with hybrid optimization. This study highlights the importance of hybrid optimization strategies that enable small language models to deliver accurate, efficient, and stable agentic AI on edge devices, making privacy-preserving, low-latency autonomous agents practical beyond the cloud.
Authors: Florian Rottach, William Rudman, Bastain Rieck, Harrisen Scells, Carsten Eickhoff
Abstract: Studying how embeddings are organized in space not only enhances model interpretability but also uncovers factors that drive downstream task performance. In this paper, we present a comprehensive analysis of topological and geometric measures across a wide set of text embedding models and datasets. We find a high degree of redundancy among these measures and observe that individual metrics often fail to sufficiently differentiate embedding spaces. Building on these insights, we introduce Unified Topological Signatures (UTS), a holistic framework for characterizing embedding spaces. We show that UTS can predict model-specific properties and reveal similarities driven by model architecture. Further, we demonstrate the utility of our method by linking topological structure to ranking effectiveness and accurately predicting document retrievability. We find that a holistic, multi-attribute perspective is essential to understanding and leveraging the geometry of text embeddings.
Authors: Peiyu Yu, Suraj Kothawade, Sirui Xie, Ying Nian Wu, Hongliang Fei
Abstract: Most post-training methods for text-to-image samplers focus on model weights: either fine-tuning the backbone for alignment or distilling it for few-step efficiency. We take a different route: rescheduling the sampling timeline of a frozen sampler. Instead of a fixed, global schedule, we learn instance-level (prompt- and noise-conditioned) schedules through a single-pass Dirichlet policy. To ensure accurate gradient estimates in high-dimensional policy learning, we introduce a novel reward baseline based on a principled James-Stein estimator; it provably achieves lower estimation errors than commonly used variants and leads to superior performance. Our rescheduled samplers consistently improve text-image alignment including text rendering and compositional control across modern Stable Diffusion and Flux model families. Additionally, a 5-step Flux-Dev sampler with our schedules can attain generation quality comparable to deliberately distilled samplers like Flux-Schnell. We thus position our scheduling framework as an emerging model-agnostic post-training lever that unlocks additional generative potential in pretrained samplers.
Authors: Sejeong Jang, Joo Heung Yoon, Hyo Kyung Lee
Abstract: Intensive care unit (ICU) data are highly irregular, heterogeneous, and temporally fragmented, posing challenges for generalizable clinical prediction. We present PULSE-ICU, a self-supervised foundation model that learns event-level ICU representations from large-scale EHR sequences without resampling or manual feature engineering. A unified embedding module encodes event identity, continuous values, units, and temporal attributes, while a Longformer-based encoder enables efficient modeling of long trajectories. PULSE-ICU was fine-tuned across 18 prediction tasks, including mortality, intervention forecasting, and phenotype identification, achieving strong performance across task types. External validation on eICU, HiRID, and P12 showed substantial improvements with minimal fine-tuning, demonstrating robustness to domain shift and variable constraints. These findings suggest that foundation-style modeling can improve data efficiency and adaptability, providing a scalable framework for ICU decision support across diverse clinical environments.
Authors: Junsung Park
Abstract: Offline inverse reinforcement learning (IRL) aims to recover a reward function that explains expert behavior using only fixed demonstration data, without any additional online interaction. We propose BiCQL-ML, a policy-free offline IRL algorithm that jointly optimizes a reward function and a conservative Q-function in a bi-level framework, thereby avoiding explicit policy learning. The method alternates between (i) learning a conservative Q-function via Conservative Q-Learning (CQL) under the current reward, and (ii) updating the reward parameters to maximize the expected Q-values of expert actions while suppressing over-generalization to out-of-distribution actions. This procedure can be viewed as maximum likelihood estimation under a soft value matching principle. We provide theoretical guarantees that BiCQL-ML converges to a reward function under which the expert policy is soft-optimal. Empirically, we show on standard offline RL benchmarks that BiCQL-ML improves both reward recovery and downstream policy performance compared to existing offline IRL baselines.
Authors: Yuan Yao, Lixu Wang, Jiaqi Wu, Jin Song, Simin Chen, Zehua Wang, Zijian Tian, Wei Chen, Huixia Li, Xiaoxiao Li
Abstract: Federated learning (FL) enables collaborative training across clients without compromising privacy. While most existing FL methods assume homogeneous model architectures, client heterogeneity in data and resources renders this assumption impractical, motivating model-heterogeneous FL. To address this problem, we propose Federated Representation Entanglement (FedRE), a framework built upon a novel form of client knowledge termed entangled representation. In FedRE, each client aggregates its local representations into a single entangled representation using normalized random weights and applies the same weights to integrate the corresponding one-hot label encodings into the entangled-label encoding. Those are then uploaded to the server to train a global classifier. During training, each entangled representation is supervised across categories via its entangled-label encoding, while random weights are resampled each round to introduce diversity, mitigating the global classifier's overconfidence and promoting smoother decision boundaries. Furthermore, each client uploads a single cross-category entangled representation along with its entangled-label encoding, mitigating the risk of representation inversion attacks and reducing communication overhead. Extensive experiments demonstrate that FedRE achieves an effective trade-off among model performance, privacy protection, and communication overhead. The codes are available at https://github.com/AIResearch-Group/FedRE.
Authors: Henrijs Princis, Arindam Sharma, Cristina David
Abstract: Large language models (LLMs) have shown remarkable ability to generate code, yet their outputs often violate syntactic or semantic constraints when guided only through natural language prompts. We introduce TreeCoder, the most general and flexible framework to date for exploring decoding strategies, constraints, and hyperparameters in LLMs, and use it in code generation to enforce correctness and structure during decoding rather than relying on prompt engineering. TreeCoder represents decoding as a tree search over candidate programs, where both decoding strategies and constraint functions - such as style, syntax, execution - are treated as first-class, optimisable components. This design enables systematic exploration and automatic tuning of decoding configurations using standard optimisation techniques. Experiments on the MBPP (Python) and SQL-Spider benchmarks show that TreeCoder consistently improves accuracy across open-source models such as CodeLlama, Mistral and DeepSeek, often outperforming their unconstrained baselines by considerable margins.
Authors: Ofir Schlisselberg, Uri Sherman, Tomer Koren, Yishay Mansour
Abstract: Online mirror descent (OMD) is a fundamental algorithmic paradigm that underlies many algorithms in optimization, machine learning and sequential decision-making. The OMD iterates are defined as solutions to optimization subproblems which, oftentimes, can be solved only approximately, leading to an inexact version of the algorithm. Nonetheless, existing OMD analyses typically assume an idealized error free setting, thereby limiting our understanding of performance guarantees that should be expected in practice. In this work we initiate a systematic study into inexact OMD, and uncover an intricate relation between regularizer smoothness and robustness to approximation errors. When the regularizer is uniformly smooth, we establish a tight bound on the excess regret due to errors. Then, for barrier regularizers over the simplex and its subsets, we identify a sharp separation: negative entropy requires exponentially small errors to avoid linear regret, whereas log-barrier and Tsallis regularizers remain robust even when the errors are only polynomial. Finally, we show that when the losses are stochastic and the domain is the simplex, negative entropy regains robustness-but this property does not extend to all subsets, where exponentially small errors are again necessary to avoid suboptimal regret.
Authors: Marco Mussi, Marcello Restelli
Abstract: Traditional pricing paradigms, once dominated by static models and rule-based heuristics, are increasingly being replaced by dynamic, data-driven approaches powered by machine learning algorithms. Despite their growing sophistication, most dynamic pricing algorithms focus on optimizing the price of each product independently, disregarding potential interactions among items. By neglecting these interdependencies in consumer demand across related goods, sellers may fail to capture the full potential of coordinated pricing strategies. In this paper, we address this problem by exploring dynamic pricing mechanisms designed explicitly for complementary products, aiming to exploit their joint demand structure to maximize overall revenue. We present an online learning algorithm considering both positive and negative interactions between products' demands. The algorithm utilizes transaction data to identify advantageous complementary relationships through an integer programming problem between different items, and then optimizes pricing strategies using data-driven and computationally efficient multi-armed bandit solutions based on heteroscedastic Gaussian processes. We validate our solution in a simulated environment, and we demonstrate that our solution improves the revenue w.r.t. a comparable learning algorithm ignoring such interactions.
Authors: Kavya Subramanian, Prathamesh Dinesh Joshi, Raj Abhijit Dandekar, Rajat Dandekar, Sreedath Panat
Abstract: Forecasting tumor growth is critical for optimizing treatment. Classical growth models such as the Gompertz and Bertalanffy equations capture general tumor dynamics but may fail to adapt to patient-specific variability, particularly with limited data available. In this study, we leverage Neural Ordinary Differential Equations (Neural ODEs) and Universal Differential Equations (UDEs), two pillars of Scientific Machine Learning (SciML), to construct adaptive tumor growth models capable of learning from experimental data. Using the Gompertz model as a baseline, we replace rigid terms with adaptive neural networks to capture hidden dynamics through robust modeling in the Julia programming language. We use our models to perform forecasting under data constraints and symbolic recovery to transform the learned dynamics into explicit mathematical expressions. Our approach has the potential to improve predictive accuracy, guiding dynamic and effective treatment strategies for improved clinical outcomes.
Authors: Dario Fenoglio, Mohan Li, Pietro Barbiero, Nicholas D. Lane, Marc Langheinrich, Martin Gjoreski
Abstract: Federated Learning (FL) enables collaborative model training across multiple clients while preserving data privacy. Traditional FL methods often use a global model to fit all clients, assuming that clients' data are independent and identically distributed (IID). However, when this assumption does not hold, the global model accuracy may drop significantly, limiting FL applicability in real-world scenarios. To address this gap, we propose FLUX, a novel clustering-based FL (CFL) framework that addresses the four most common types of distribution shifts during both training and test time. To this end, FLUX leverages privacy-preserving client-side descriptor extraction and unsupervised clustering to ensure robust performance and scalability across varying levels and types of distribution shifts. Unlike existing CFL methods addressing non-IID client distribution shifts, FLUX i) does not require any prior knowledge of the types of distribution shifts or the number of client clusters, and ii) supports test-time adaptation, enabling unseen and unlabeled clients to benefit from the most suitable cluster-specific models. Extensive experiments across four standard benchmarks, two real-world datasets and ten state-of-the-art baselines show that FLUX improves performance and stability under diverse distribution shifts, achieving an average accuracy gain of up to 23 percentage points over the best-performing baselines, while maintaining computational and communication overhead comparable to FedAvg.
Authors: Wenbin Wu, Kejiang Qian, Alexis Lui, Christopher Jack, Yue Wu, Peter McBurney, Fengxiang He, Bryan Zhang
Abstract: We curate the DeXposure dataset, the first large-scale dataset for inter-protocol credit exposure in decentralized financial networks, covering global markets of 43.7 million entries across 4.3 thousand protocols, 602 blockchains, and 24.3 thousand tokens, from 2020 to 2025. A new measure, value-linked credit exposure between protocols, is defined as the inferred financial dependency relationships derived from changes in Total Value Locked (TVL). We develop a token-to-protocol model using DefiLlama metadata to infer inter-protocol credit exposure from the token's stock dynamics, as reported by the protocols. Based on the curated dataset, we develop three benchmarks for machine learning research with financial applications: (1) graph clustering for global network measurement, tracking the structural evolution of credit exposure networks, (2) vector autoregression for sector-level credit exposure dynamics during major shocks (Terra and FTX), and (3) temporal graph neural networks for dynamic link prediction on temporal graphs. From the analysis, we observe (1) a rapid growth of network volume, (2) a trend of concentration to key protocols, (3) a decline of network density (the ratio of actual connections to possible connections), and (4) distinct shock propagation across sectors, such as lending platforms, trading exchanges, and asset management protocols. The DeXposure dataset and code have been released publicly. We envision they will help with research and practice in machine learning as well as financial risk monitoring, policy analysis, DeFi market modeling, amongst others. The dataset also contributes to machine learning research by offering benchmarks for graph clustering, vector autoregression, and temporal graph analysis.
Authors: Jinying Xiao, Bin Ji, Shasha Li, Xiaodong Liu, Ma Jun, Ye Zhong, Wei Li, Xuan Xie, Qingbo Wu, Jie Yu
Abstract: Large Language Models (LLMs) quantization facilitates deploying LLMs in resource-limited settings, but existing methods that combine incompatible gradient optimization and quantization truncation lead to serious convergence pathology. This prolongs quantization time and degrades LLMs' task performance. Our studies confirm that Straight-Through Estimator (STE) on Stiefel manifolds introduce non-smoothness and gradient noise, obstructing optimization convergence and blocking high-fidelity quantized LLM development despite extensive training. To tackle the above limitations, we propose SingleQuant, a single-pass quantization framework that decouples from quantization truncation, thereby eliminating the above non-smoothness and gradient noise factors. Specifically, SingleQuant constructs Alignment Rotation Transformation (ART) and Uniformity Rotation Transformation (URT) targeting distinct activation outliers, where ART achieves smoothing of outlier values via closed-form optimal rotations, and URT reshapes distributions through geometric mapping. Both matrices comprise strictly formulated Givens rotations with predetermined dimensions and rotation angles, enabling promising LLMs task performance within a short time. Experimental results demonstrate SingleQuant's superiority over the selected baselines across diverse tasks on 7B-70B LLMs. To be more precise, SingleQuant enables quantized LLMs to achieve higher task performance while necessitating less time for quantization. For example, when quantizing LLaMA-2-13B, SingleQuant achieves 1,400$\times$ quantization speedup and increases +0.57\% average task performance compared to the selected best baseline.
Authors: Panteleimon Dogoulis, Mohammad Iman Alizadeh, Sylvain Kubler, Maxime Cordy
Abstract: Power Flow (PF) calculation based on machine learning (ML) techniques offer significant computational advantages over traditional numerical methods but often struggle to maintain full physical consistency. This paper introduces a physics-informed test-time training (PI-TTT) framework that enhances the accuracy and feasibility of ML-based PF surrogates by enforcing AC power flow equalities and operational constraints directly at inference time. The proposed method performs a lightweight self-supervised refinement of the surrogate outputs through few gradient-based updates, enabling local adaptation to unseen operating conditions without requiring labeled data. Extensive experiments on the IEEE 14-, 118-, and 300-bus systems and the PEGASE 1354-bus network show that PI-TTT reduces power flow residuals and operational constraint violations by one to two orders of magnitude compared with purely ML-based models, while preserving their computational advantage. The results demonstrate that PI-TTT provides fast, accurate, and physically reliable predictions, representing a promising direction for scalable and physics-consistent learning in power system analysis.
Authors: Denis Huseljic, Marek Herde, Lukas Rauch, Paul Hahn, Bernhard Sick
Abstract: Existing active learning (AL) strategies capture fundamentally different notions of data value, e.g., uncertainty or representativeness. Consequently, the effectiveness of strategies can vary substantially across datasets, models, and even AL cycles. Committing to a single strategy risks suboptimal performance, as no single strategy dominates throughout the entire AL process. We introduce REFINE, an ensemble AL method that combines multiple strategies without knowing in advance which will perform best. In each AL cycle, REFINE operates in two stages: (1) Progressive filtering iteratively refines the unlabeled pool by considering an ensemble of AL strategies, retaining promising candidates capturing different notions of value. (2) Coverage-based selection then chooses a final batch from this refined pool, ensuring all previously identified notions of value are accounted for. Extensive experiments across 6 classification datasets and 3 foundation models show that REFINE consistently outperforms individual strategies and existing ensemble methods. Notably, progressive filtering serves as a powerful preprocessing step that improves the performance of any individual AL strategy applied to the refined pool, which we demonstrate on an audio spectrogram classification use case. Finally, the ensemble of REFINE can be easily extended with upcoming state-of-the-art AL strategies.
Authors: Mengyang Liu, Chenyu Lu, Haodong Tian, Fang Dong, Ruiting Zhou, Wei Wang, Dian Shen, Guangtong Li, Ye Wan, Li Li
Abstract: On-device machine learning (ML) has become a fundamental component of emerging mobile applications. Adaptive model deployment delivers efficient inference for heterogeneous device capabilities and performance requirements through customizing neural architectures. SuperNet-based approaches offer a promising solution by generating a large number of model variants from a pre-trained ML model. However, applying SuperNet in existing frameworks suffers from tedious model-aware development and time-consuming hardware-aware profiling, which limits their practical adoption. We present AutoTailor, the first framework to enable automated, end-to-end SuperNet-based adaptive model deployment for edge devices. Unlike manual SuperNet construction, AutoTailor employs a computation graph-guided compilation approach to automatically transform user-provided ML models into SuperNets. To support efficient specialization, AutoTailor incorporates learning-free latency and accuracy predictors, enabling low-cost yet accurate performance prediction. Our extended evaluations demonstrate that AutoTailor reduces the lines of code for SuperNet construction by 11--27$\times$, decreases hardware-aware profiling costs by at least 11$\times$, and achieves up to 15.60\% absolute accuracy improvement and 60.03\% latency reduction compared to state-of-the-art approaches across diverse models and devices.
Authors: Merey Orazaly, Fariza Temirkhanova, Jurn-Gyu Park
Abstract: Transformer-based models have gained considerable attention in the field of physiological signal analysis. They leverage long-range dependencies and complex patterns in temporal signals, allowing them to achieve performance superior to traditional RNN and CNN models. However, they require high computational intensity and memory demands. In this work, we present Efficient-Husformer, a novel Transformer-based architecture developed with hyperparameter optimization (HPO) for multi-class stress detection across two multimodal physiological datasets (WESAD and CogLoad). The main contributions of this work are: (1) the design of a structured search space, targeting effective hyperparameter optimization; (2) a comprehensive ablation study evaluating the impact of architectural decisions; (3) consistent performance improvements over the original Husformer, with the best configuration achieving an accuracy of 88.41 and 92.61 (improvements of 13.83% and 6.98%) on WESAD and CogLoad datasets, respectively. The best-performing configuration is achieved with the (L + dm) or (L + FFN) modality combinations, using a single layer, 3 attention heads, a model dimension of 18/30, and FFN dimension of 120/30, resulting in a compact model with only about 30k parameters.
Authors: Hugo Hazard, Zafeirios Fountas, Martin A. Benfeghoul, Adnan Oomerjee, Jun Wang, Haitham Bou-Ammar
Abstract: Continual learning, one's ability to adapt to a sequence of tasks without forgetting previously acquired knowledge, remains a major challenge in machine learning and a key gap between artificial and human intelligence. While regularisation and replay perform well in vision, they lag behind multi-task learning for large language models (LLMs), especially at scale with many tasks. We revisit replay and argue that two failure modes drive this gap: selection (what to rehearse) and integration (how to consolidate new knowledge). To address selection, we propose Surprise-prioritised Replay (SuRe), a simple, architecture-agnostic rule that ranks and stores the most surprising (high Negative Log-Likelihood) sequences. SuRe achieves state-of-the-art performance in the Large Number of Tasks (LNT) setting and delivers the best overall average across both Standard CL and LNT benchmarks. To address integration, we add a dual-learner design with fast and slow LoRA adapters merged via an exponential moving average (EMA), enabling rapid adaptation while stabilising long-term knowledge. Combining SuRe with the dual learner yields further gains, including improvements of up to +5 accuracy points on LNT over prior SOTA. Ablation studies confirm that our proposed method remains robust under reduced replay frequency and small buffer size, demonstrating both effectiveness and sample efficiency. Taken together, our results establish replay as a strong baseline for continual LLM fine-tuning and demonstrate that surprise-based selection and slow-weight consolidation are complementary components for mitigating catastrophic forgetting.
Authors: Anna Pazola, Mohammad Shamsudduha, Richard G. Taylor, Allan Tucker
Abstract: Geospatial observational datasets are often limited to point measurements, making temporal prediction and spatial interpolation essential for constructing continuous fields. This study evaluates two deep learning strategies for addressing this challenge: (1) a grid-to-grid approach, where gridded predictors are used to model rasterised targets (aggregation before modelling), and (2) a grid-to-point approach, where gridded predictors model point targets, followed by kriging interpolation to fill the domain (aggregation after modelling). Using groundwater storage data from Bangladesh as a case study, we compare the effcacy of these approaches. Our findings indicate that spatial interpolation is substantially more difficult than temporal prediction. In particular, nearest neighbours are not always the most similar, and uncertainties in geology strongly influence point temporal behaviour. These insights motivate future work on advanced interpolation methods informed by clustering locations based on time series dynamics. Demonstrated on groundwater storage, the conclusions are applicable to other environmental variables governed by indirectly observable factors. Code is available at https://github.com/pazolka/interpolation-prediction-gwsa.
URLs: https://github.com/pazolka/interpolation-prediction-gwsa.
Authors: Ganeshan Niroshan, Uthayasanker Thayasivam
Abstract: Self-supervised representation learning, particularly through contrastive methods like TS2Vec, has advanced the analysis of time series data. However, these models often falter in forecasting tasks because their objective functions prioritize instance discrimination over capturing the deterministic patterns, such as seasonality and trend, that are critical for accurate prediction. This paper introduces TS2Vec-Ensemble, a novel hybrid framework designed to bridge this gap. Our approach enhances the powerful, implicitly learned dynamics from a pretrained TS2Vec encoder by fusing them with explicit, engineered time features that encode periodic cycles. This fusion is achieved through a dual-model ensemble architecture, where two distinct regression heads -- one focused on learned dynamics and the other on seasonal patterns -- are combined using an adaptive weighting scheme. The ensemble weights are optimized independently for each forecast horizon, allowing the model to dynamically prioritize short-term dynamics or long-term seasonality as needed. We conduct extensive experiments on the ETT benchmark datasets for both univariate and multivariate forecasting. The results demonstrate that TS2Vec-Ensemble consistently and significantly outperforms the standard TS2Vec baseline and other state-of-the-art models, validating our hypothesis that a hybrid of learned representations and explicit temporal priors is a superior strategy for long-horizon time series forecasting.
Authors: Roland Stolz, Michael Eichelbeck, Matthias Althoff
Abstract: In reinforcement learning (RL), it is often advantageous to consider additional constraints on the action space to ensure safety or action relevance. Existing work on such action-constrained RL faces challenges regarding effective policy updates, computational efficiency, and predictable runtime. Recent work proposes to use truncated normal distributions for stochastic policy gradient methods. However, the computation of key characteristics, such as the entropy, log-probability, and their gradients, becomes intractable under complex constraints. Hence, prior work approximates these using the non-truncated distributions, which severely degrades performance. We argue that accurate estimation of these characteristics is crucial in the action-constrained RL setting, and propose efficient numerical approximations for them. We also provide an efficient sampling strategy for truncated policy distributions and validate our approach on three benchmark environments, which demonstrate significant performance improvements when using accurate estimations.
Authors: Ali Ghasemi, Farooq Ahmad Wani, Maria Sofia Bucarelli, Fabrizio Silvestri
Abstract: Recent work has extended the invariance principle for out-of-distribution (OOD) generalization from Euclidean to graph data, where challenges arise due to complex structures and diverse distribution shifts in node attributes and topology. To handle these, Chen et al. proposed CIGA (Chen et al., 2022b), which uses causal modeling and an information-theoretic objective to extract a single invariant subgraph capturing causal features. However, this single-subgraph focus can miss multiple causal patterns. Liu et al. (2025) addressed this with SuGAr, which learns and aggregates diverse invariant subgraphs via a sampler and diversity regularizer, improving robustness but still relying on simple uniform or greedy aggregation. To overcome this, the proposed PISA framework introduces a dynamic MLP-based aggregation that prioritizes and combines subgraph representations more effectively. Experiments on 15 datasets, including DrugOOD (Ji et al., 2023), show that PISA achieves up to 5% higher classification accuracy than prior methods.
Authors: Yifan Lei, Jiahua Luo, Tingyu Jiang, Bo Zhang, Lifeng Wang, Dapeng Liu, Zhaoren Wu, Haijie Gu, Huan Yu, Jie Jiang
Abstract: In large-scale advertising recommendation systems, retrieval serves as a critical component, aiming to efficiently select a subset of candidate ads relevant to user behaviors from a massive ad inventory for subsequent ranking and recommendation. The Embedding-Based Retrieval (EBR) methods modeled by the dual-tower network are widely used in the industry to maintain both retrieval efficiency and accuracy. However, the dual-tower model has significant limitations: the embeddings of users and ads interact only at the final inner product computation, resulting in insufficient feature interaction capabilities. Although DNN-based models with both user and ad as input features, allowing for early-stage interaction between these features, are introduced in the ranking stage to mitigate this issue, they are computationally infeasible for the retrieval stage. To bridge this gap, this paper proposes an efficient GPU-based feature interaction for the dual-tower network to significantly improve retrieval accuracy while substantially reducing computational costs. Specifically, we introduce a novel compressed inverted list designed for GPU acceleration, enabling efficient feature interaction computation at scale. To the best of our knowledge, this is the first framework in the industry to successfully implement Wide and Deep in a retrieval system. We apply this model to the real-world business scenarios in Tencent Advertising, and experimental results demonstrate that our method outperforms existing approaches in offline evaluation and has been successfully deployed to Tencent's advertising recommendation system, delivering significant online performance gains. This improvement not only validates the effectiveness of the proposed method, but also provides new practical guidance for optimizing large-scale ad retrieval systems.
Authors: Shanchuan Lin, Ceyuan Yang, Zhijie Lin, Hao Chen, Haoqi Fan
Abstract: We present adversarial flow models, a class of generative models that unifies adversarial models and flow models. Our method supports native one-step or multi-step generation and is trained using the adversarial objective. Unlike traditional GANs, where the generator learns an arbitrary transport plan between the noise and the data distributions, our generator learns a deterministic noise-to-data mapping, which is the same optimal transport as in flow-matching models. This significantly stabilizes adversarial training. Also, unlike consistency-based methods, our model directly learns one-step or few-step generation without needing to learn the intermediate timesteps of the probability flow for propagation. This saves model capacity, reduces training iterations, and avoids error accumulation. Under the same 1NFE setting on ImageNet-256px, our B/2 model approaches the performance of consistency-based XL/2 models, while our XL/2 model creates a new best FID of 2.38. We additionally show the possibility of end-to-end training of 56-layer and 112-layer models through depth repetition without any intermediate supervision, and achieve FIDs of 2.08 and 1.94 using a single forward pass, surpassing their 2NFE and 4NFE counterparts.
Authors: Guanxi Lu, Hao Mark Chen, Zhiqiang Que, Wayne Luk, Hongxiang Fan
Abstract: Large language models (LLMs) have shown promising performance across various tasks. However, their autoregressive decoding process poses significant challenges for efficient deployment on existing AI hardware. Quantization alleviates memory and compute pressure by compressing weights, activations, and KV caches to low precisions while preserving generation quality. However, existing quantization frameworks typically focus on perplexity or classification accuracy, often omitting critical trustworthiness metrics. This gap introduces risks when applying quantized LLMs to downstream high-stakes domains such as finance and healthcare. In this work, we systematically investigate the impact of quantization on four trustworthiness metrics (adversarial robustness, fairness, machine ethics, and out-of-distribution robustness) and identify the instability across compression ratios and quantization methods. Building on these observations, we develop a novel precision-ensemble voting approach that leverages predictions from mixed-precision variants of the same model and consistently improves performance by up to $5.8\%$ on trustworthiness metrics. Our results highlight the importance of considering trustworthiness when developing model compression techniques and point to research opportunities at the intersection of compression and trustworthiness for safety-critical applications.
Authors: Faezeh Labbaf, Tom\'a\v{s} Kol\'arik, Martin Blicha, Grigory Fedyukovich, Michael Wand, Natasha Sharygina
Abstract: We present a novel logic-based concept called Space Explanations for classifying neural networks that gives provable guarantees of the behavior of the network in continuous areas of the input feature space. To automatically generate space explanations, we leverage a range of flexible Craig interpolation algorithms and unsatisfiable core generation. Based on real-life case studies, ranging from small to medium to large size, we demonstrate that the generated explanations are more meaningful than those computed by state-of-the-art.
Authors: Shiva Parsarad, Isabel Wagner
Abstract: Recommender systems (RSs) output ranked lists of items, such as movies or restaurants, that users may find interesting, based on the user's past ratings and ratings from other users. RSs increasingly incorporate differential privacy (DP) to protect user data, raising questions about how privacy mechanisms affect both recommendation accuracy and fairness. We conduct a comprehensive, cross-model evaluation of two DP mechanisms, differentially private stochastic gradient descent (DPSGD) and local differential privacy (LDP), applied to four recommender systems (Neural Collaborative Filtering (NCF), Bayesian Personalized Ranking (BPR), Singular Value Decomposition (SVD), and Variational Autoencoder (VAE)) on the MovieLens-1M and Yelp datasets. We find that stronger privacy consistently reduces utility, but not uniformly. NCF under DPSGD shows the smallest accuracy loss (under 10 percent at epsilon approximately 1), whereas SVD and BPR experience larger drops, especially for users with niche preferences. VAE is the most sensitive to privacy, with sharp declines for sparsely represented groups. The impact on bias metrics is similarly heterogeneous. DPSGD generally reduces the gap between recommendations of popular and less popular items, whereas LDP preserves existing patterns more closely. These results highlight that no single DP mechanism is uniformly superior; instead, each provides trade-offs under different privacy regimes and data conditions.
Authors: Herbod Pourali, Sajjad Hashemian, Ebrahim Ardeshir-Larijani
Abstract: We introduce an expander-sketching framework for list-decodable linear regression that achieves sample complexity $\tilde{O}((d+\log(1/\delta))/\alpha)$, list size $O(1/\alpha)$, and near input-sparsity running time $\tilde{O}(\mathrm{nnz}(X)+d^{3}/\alpha)$ under standard sub-Gaussian assumptions. Our method uses lossless expanders to synthesize lightly contaminated batches, enabling robust aggregation and a short spectral filtering stage that matches the best known efficient guarantees while avoiding SoS machinery and explicit batch structure.
Authors: Feyza Eksen, Stefan Oehmcke, Stefan L\"udtke
Abstract: Accurate sensor placement is critical for modeling spatio-temporal systems such as environmental and climate processes. Neural Processes (NPs), particularly Convolutional Conditional Neural Processes (ConvCNPs), provide scalable probabilistic models with uncertainty estimates, making them well-suited for data-driven sensor placement. However, existing approaches rely on total predictive uncertainty, which conflates epistemic and aleatoric components, that may lead to suboptimal sensor selection in ambiguous regions. To address this, we propose expected reduction in epistemic uncertainty as a new acquisition function for sensor placement. To enable this, we extend ConvCNPs with a Mixture Density Networks (MDNs) output head for epistemic uncertainty estimation. Preliminary results suggest that epistemic uncertainty driven sensor placement more effectively reduces model error than approaches based on overall uncertainty.
Authors: Johannes Forkel, Jakob Foerster
Abstract: We find that in Hanabi, one of the most complex and popular benchmarks for zero-shot coordination and ad-hoc teamplay, a standard implementation of independent PPO with a slightly higher entropy coefficient 0.05 instead of the typically used 0.01, achieves a new state-of-the-art in cross-play between different seeds, beating by a significant margin all previous specialized algorithms, which were specifically designed for this setting. We provide an intuition for why sufficiently high entropy regularization ensures that different random seed produce joint policies which are mutually compatible. We also empirically find that a high $\lambda_{\text{GAE}}$ around 0.9, and using RNNs instead of just feed-forward layers in the actor-critic architecture, strongly increase inter-seed cross-play. While these results demonstrate the dramatic effect that hyperparameters can have not just on self-play scores but also on cross-play scores, we show that there are simple Dec-POMDPs though, in which standard policy gradient methods with increased entropy regularization are not able to achieve perfect inter-seed cross-play, thus demonstrating the continuing necessity for new algorithms for zero-shot coordination.
Authors: Francesco Marchetti, Edoardo Legnaro, Sabrina Guastavino
Abstract: In the supervised binary classification setting, score-oriented losses have been introduced with the aim of optimizing a chosen performance metric directly during the training phase, thus avoiding \textit{a posteriori} threshold tuning. To do this, in their construction, the decision threshold is treated as a random variable provided with a certain \textit{a priori} distribution. In this paper, we use a recently introduced multidimensional threshold-based classification framework to extend such score-oriented losses to multiclass classification, defining the Multiclass Score-Oriented Loss (MultiSOL) functions. As also demonstrated by several classification experiments, this proposed family of losses is designed to preserve the main advantages observed in the binary setting, such as the direct optimization of the target metric and the robustness to class imbalance, achieving performance comparable to other state-of-the-art loss functions and providing new insights into the interaction between simplex geometry and score-oriented learning.
Authors: Huanyu Li, Zongyuan Li, Wei Huang, Xian Guo
Abstract: Large language models (LLMs) such as ChatGPT o1, ChatGPT o3, and DeepSeek R1 have shown great potential in solving difficult problems. However, current LLM evaluation benchmarks are limited to one-step interactions. Some of the existing sequence decision-making environments, such as TextStarCraftII and LLM-PySC2, are too complicated and require hours of interaction to complete a game. In this paper, we introduce LLM-Cave, a benchmark and light environment for LLM reasoning and decision-making systems. This environment is a classic instance in the era of Symbolism. Artificial intelligence enables the agent to explore the environment and avoid potential losses by reasoning about nearby dangers using partial observable state information. In the experiment, we evaluated the sequential reasoning ability, decision-making performance and computational efficiency of mainstream large language models (LLMs) such as GPT-4o-mini, o1-mini, and DeepSeek-R1. Experiments show that while Deepseek-R1 achieved the highest success rate on complex reasoning tasks, smaller models like 4o-mini significantly narrowed the performance gap on challenges by employing Chain of Speculation and Planner-Critic strategies, at the expense of reduced computational efficiency. This indicates that structured, multi-step reasoning combined with an LLM-based feedback mechanism can substantially enhance an LLM's decision-making capabilities, providing a promising direction for improving reasoning in weaker models and suggesting a new reasoning-centered benchmark for LLM assessment. Our code is open-sourced in https://github.com/puleya1277/CaveEnv.
Authors: Meriem Arbaoui, Mohamed-el-Amine Brahmia, Abdellatif Rahmoun, Mourad Zghal
Abstract: The integration of IoT and AI has unlocked innovation across industries, but growing privacy concerns and data isolation hinder progress. Traditional centralized ML struggles to overcome these challenges, which has led to the rise of Federated Learning (FL), a decentralized paradigm that enables collaborative model training without sharing local raw data. FL ensures data privacy, reduces communication overhead, and supports scalability, yet its heterogeneity adds complexity compared to centralized approaches. This survey focuses on three main FL research directions: personalization, optimization, and robustness, offering a structured classification through a hybrid methodology that combines bibliometric analysis with systematic review to identify the most influential works. We examine challenges and techniques related to heterogeneity, efficiency, security, and privacy, and provide a comprehensive overview of aggregation strategies, including architectures, synchronization methods, and diverse federation objectives. To complement this, we discuss practical evaluation approaches and present experiments comparing aggregation methods under IID and non-IID data distributions. Finally, we outline promising research directions to advance FL, aiming to guide future innovation in this rapidly evolving field.
Authors: Riccardo De Santi, Marin Vlastelica, Ya-Ping Hsieh, Zebang Shen, Niao He, Andreas Krause
Abstract: Adapting large-scale foundation flow and diffusion generative models to optimize task-specific objectives while preserving prior information is crucial for real-world applications such as molecular design, protein docking, and creative image generation. Existing principled fine-tuning methods aim to maximize the expected reward of generated samples, while retaining knowledge from the pre-trained model via KL-divergence regularization. In this work, we tackle the significantly more general problem of optimizing general utilities beyond average rewards, including risk-averse and novelty-seeking reward maximization, diversity measures for exploration, and experiment design objectives among others. Likewise, we consider more general ways to preserve prior information beyond KL-divergence, such as optimal transport distances and Renyi divergences. To this end, we introduce Flow Density Control (FDC), a simple algorithm that reduces this complex problem to a specific sequence of simpler fine-tuning tasks, each solvable via scalable established methods. We derive convergence guarantees for the proposed scheme under realistic assumptions by leveraging recent understanding of mirror flows. Finally, we validate our method on illustrative settings, text-to-image, and molecular design tasks, showing that it can steer pre-trained generative models to optimize objectives and solve practically relevant tasks beyond the reach of current fine-tuning schemes.
Authors: David Grasev
Abstract: A new approach to data-driven discovery of Koopman eigenfunctions without a pre-defined set of basis functions is proposed. The approach is based on a reference trajectory, for which the Koopman mode amplitudes are first identified, and the Koopman mode decomposition is transformed to a new basis, which contains fundamental functions of eigenvalues and time. The initial values of the eigenfunctions are obtained by projecting trajectories onto this basis via a regularized least-squares fit. A global optimizer was employed to optimize the eigenvalues. Mapping initial-state values to eigenfunction values reveals their spatial structure, enabling the numerical computation of their gradients. Thus, deviations from the Koopman partial differential equation are penalized, leading to more robust solutions. The approach was successfully tested on several benchmark nonlinear dynamical systems, including the FitzHugh-Nagumo system with inputs, van der Pol and Duffing oscillators, and a 2-spool turbojet engine with control. The study demonstrates that incorporating principal eigenvalues and spatial structure integrity promotion significantly improves the accuracy of Koopman predictors. The approach effectively discovers Koopman spectral components even with sparse state-space sampling and reveals geometric features of the state space, such as invariant partitions. Finally, the numerical approximation of the eigenfunction gradient can be used for input dynamics modeling and control design. The results support the practicality of the approach for use with various dynamical systems.
Authors: Anthony Carreon, Vansh Sharma, Venkat Raman
Abstract: Traditional optimization methods excel in well-defined search spaces but struggle with design problems where transformations and design parameters are difficult to define. Large language models (LLMs) offer a promising alternative by dynamically interpreting design spaces and leveraging encoded domain knowledge. To this end, we introduce AUTO, an LLM agent framework that treats design optimization as a gradient-free search problem guided by strategic LLM reasoning. The framework employs two collaborative agents: a Strategist that selects between exploration and exploitation strategies, and an Implementor that executes detailed designs. Applied to GPU code optimization -- a domain critical to fields from machine learning to scientific computing -- AUTO generates solutions competitive with expert implementations for chemical kinetics integration and dense matrix multiplication. The framework achieves 50-70% search efficiency relative to Bayesian optimization methodologies. It completes optimizations in approximately 8 hours at an estimated cost of up to \$159 per run, compared to an estimated cost of up to \$480 with median-wage software developers. These findings open the door to automating design optimization in ill-defined search spaces with limited prior information.
Authors: Lin Xu, Ke Li, Dongjie Wang, Fengmao Lv, Tianrui Li, Yanyong Huang
Abstract: Multi-view unsupervised feature selection (MUFS) has recently emerged as an effective dimensionality reduction method for unlabeled multi-view data. However, most existing methods mainly use first-order similarity graphs to preserve local structure, often overlooking the global structure that can be captured by second-order similarity. In addition, a few MUFS methods leverage predefined second-order similarity graphs, making them vulnerable to noise and outliers and resulting in suboptimal feature selection performance. In this paper, we propose a novel MUFS method, termed Structure-aware Hybrid-order sImilarity learNing for multi-viEw unsupervised Feature Selection (SHINE-FS), to address the aforementioned problem. SHINE-FS first learns consensus anchors and the corresponding anchor graph to capture the cross-view relationships between the anchors and the samples. Based on the acquired cross-view consensus information, it generates low-dimensional representations of the samples, which facilitate the reconstruction of multi-view data by identifying discriminative features. Subsequently, it employs the anchor-sample relationships to learn a second-order similarity graph. Furthermore, by jointly learning first-order and second-order similarity graphs, SHINE-FS constructs a hybrid-order similarity graph that captures both local and global structures, thereby revealing the intrinsic data structure to enhance feature selection. Comprehensive experimental results on real multi-view datasets show that SHINE-FS outperforms the state-of-the-art methods.
Authors: Lewis Smith, Bilal Chughtai, Neel Nanda
Abstract: Building reliable deception detectors for AI systems -- methods that could predict when an AI system is being strategically deceptive without necessarily requiring behavioural evidence -- would be valuable in mitigating risks from advanced AI systems. But evaluating the reliability and efficacy of a proposed deception detector requires examples that we can confidently label as either deceptive or honest. We argue that we currently lack the necessary examples and further identify several concrete obstacles in collecting them. We provide evidence from conceptual arguments, analysis of existing empirical works, and analysis of novel illustrative case studies. We also discuss the potential of several proposed empirical workarounds to these problems and argue that while they seem valuable, they also seem insufficient alone. Progress on deception detection likely requires further consideration of these problems.
Authors: Morad Laglil, Emilie Devijver, Eric Gaussier, Bertrand Pracca
Abstract: Inspired by recent advances in large language models, foundation models have been developed for zero-shot time series forecasting, enabling prediction on datasets unseen during pretraining. These large-scale models, trained on vast collections of time series, learn generalizable representations for both point and probabilistic forecasting, reducing the need for task-specific architectures and manual tuning. In this work, we review the main architectures, pretraining strategies, and optimization methods used in such models, and study the effect of fine-tuning after pretraining to enhance their performance on specific datasets. Our empirical results show that fine-tuning generally improves zero-shot forecasting capabilities, especially for long-term horizons.
Authors: Amirmojtaba Sabour, Michael S. Albergo, Carles Domingo-Enrich, Nicholas M. Boffi, Sanja Fidler, Karsten Kreis, Eric Vanden-Eijnden
Abstract: A common recipe to improve diffusion models at test-time so that samples score highly against a user-specified reward is to introduce the gradient of the reward into the dynamics of the diffusion itself. This procedure is often ill posed, as user-specified rewards are usually only well defined on the data distribution at the end of generation. While common workarounds to this problem are to use a denoiser to estimate what a sample would have been at the end of generation, we propose a simple solution to this problem by working directly with a flow map. By exploiting a relationship between the flow map and velocity field governing the instantaneous transport, we construct an algorithm, Flow Map Trajectory Tilting (FMTT), which provably performs better ascent on the reward than standard test-time methods involving the gradient of the reward. The approach can be used to either perform exact sampling via importance weighting or principled search that identifies local maximizers of the reward-tilted distribution. We demonstrate the efficacy of our approach against other look-ahead techniques, and show how the flow map enables engagement with complicated reward functions that make possible new forms of image editing, e.g. by interfacing with vision language models.
Authors: Deressa Wodajo Deressa, Hannes Mareen, Peter Lambert, Glenn Van Wallendael
Abstract: We present Generative Anchored Fields (GAF), a generative model that learns independent endpoint predictors $J$ (noise) and $K$ (data) rather than a trajectory predictor. The velocity field $v=K-J$ emerges from their time-conditioned disagreement. This factorization enables \textit{Transport Algebra}: algebraic operation on learned $\{(J_n,K_n)\}_{n=1}^N$ heads for compositional control. With class-specific $K_n$ heads, GAF supports a rich family of directed transport maps between a shared base distribution and multiple modalities, enabling controllable interpolation, hybrid generation, and semantic morphing through vector arithmetic. We achieve strong sample quality (FID 7.5 on CelebA-HQ $64\times 64$) while uniquely providing compositional generation as an architectural primitive. We further demonstrate, GAF has lossless cyclic transport between its initial and final state with LPIPS=$0.0$. Code available at https://github.com/IDLabMedia/GAF
Authors: Yajun Yu, Guoping Xu, Steve Jiang, Robert Timmerman, John Minna, Yuanyuan Zhang, Hao Peng
Abstract: To develop an integrated transcriptome-proteome framework for identifying concurrent biomarkers predictive of radiation response, as measured by survival fraction at 2 Gy (SF2), in non-small cell lung cancer (NSCLC) cell lines. RNA sequencing (RNA-seq) and data-independent acquisition mass spectrometry (DIA-MS) proteomic data were collected from 73 and 46 NSCLC cell lines, respectively. Following preprocessing, 1,605 shared genes were retained for analysis. Feature selection was performed using least absolute shrinkage and selection operator (Lasso) regression with a frequency-based ranking criterion under five-fold cross-validation repeated ten times. Support vector regression (SVR) models were constructed using transcriptome-only, proteome-only, and combined transcriptome-proteome feature sets. Model performance was assessed by the coefficient of determination (R2) and root mean square error (RMSE). Correlation analyses evaluated concordance between RNA and protein expression and the relationships of selected biomarkers with SF2. RNA-protein expression exhibited significant positive correlations (median Pearson's r = 0.363). Independent pipelines identified 20 prioritized gene signatures from transcriptomic, proteomic, and combined datasets. Models trained on single-omic features achieved limited cross-omic generalizability, while the combined model demonstrated balanced predictive accuracy in both datasets (R2=0.461, RMSE=0.120 for transcriptome; R2=0.604, RMSE=0.111 for proteome). This study presents the first proteotranscriptomic framework for SF2 prediction in NSCLC, highlighting the complementary value of integrating transcriptomic and proteomic data. The identified concurrent biomarkers capture both transcriptional regulation and functional protein activity, offering mechanistic insights and translational potential.
Authors: Zeng Wang, Weihua Xiao, Minghao Shao, Raghu Vamshi Hemadri, Ozgur Sinanoglu, Muhammad Shafique, Ramesh Karri
Abstract: Large Language Models (LLMs) show strong performance in RTL generation, but different models excel on different tasks because of architecture and training differences. Prior work mainly prompts or finetunes a single model. What remains not well studied is how to coordinate multiple different LLMs so they jointly improve RTL quality while also reducing cost, instead of running all models and choosing the best output. We define this as the multi-LLM RTL generation problem. We propose VeriDispatcher, a multi-LLM RTL generation framework that dispatches each RTL task to suitable LLMs based on pre-inference difficulty prediction. For each model, we train a compact classifier over semantic embeddings of task descriptions, using difficulty scores derived from benchmark variants that combine syntax, structural similarity, and functional correctness. At inference, VeriDispatcher uses these predictors to route tasks to a selected subset of LLMs. Across 10 diverse LLMs on RTLLM and VerilogEval, VeriDispatcher achieves up to 18% accuracy improvement on RTLLM using only 40% of commercial calls, and on VerilogEval maintains accuracy while reducing commercial usage by 25%, enabling cost-effective, high-quality LLM deployment in hardware design automation.
Authors: Hristo Papazov, Francesco D'Angelo, Nicolas Flammarion
Abstract: We explore the possibility of exact algorithmic learning with gradient-based methods and introduce a differentiable framework capable of strong length generalization on arithmetic tasks. Our approach centers on Differentiable Finite-State Transducers (DFSTs), a Turing-complete model family that avoids the pitfalls of prior architectures by enabling constant-precision, constant-time generation, and end-to-end log-parallel differentiable training. Leveraging policy-trajectory observations from expert agents, we train DFSTs to perform binary and decimal addition and multiplication. Remarkably, models trained on tiny datasets generalize without error to inputs thousands of times longer than the training examples. These results show that training differentiable agents on structured intermediate supervision could pave the way towards exact gradient-based learning of algorithmic skills. Code available at \href{https://github.com/dngfra/differentiable-exact-algorithmic-learner.git}{https://github.com/dngfra/differentiable-exact-algorithmic-learner.git}.
URLs: https://github.com/dngfra/differentiable-exact-algorithmic-learner.git, https://github.com/dngfra/differentiable-exact-algorithmic-learner.git
Authors: Bhavya Sai Nukapotula, Rishabh Tripathi, Seth Pregler, Dileep Kalathil, Srinivas Shakkottai, Theodore S. Rappaport
Abstract: Channel state information (CSI) is essential for adaptive beamforming and maintaining robust links in wireless communication systems. However, acquiring CSI incurs significant overhead, consuming up to 25\% of spectrum resources in 5G networks due to frequent pilot transmissions at sub-millisecond intervals. Recent approaches aim to reduce this burden by reconstructing CSI from spatiotemporal RF measurements, such as signal strength and direction-of-arrival. While effective in offline settings, these methods often suffer from inference latencies in the 5--100~ms range, making them impractical for real-time systems. We present GSpaRC: Gaussian Splatting for Real-time Reconstruction of RF Channels, the first algorithm to break the 1 ms latency barrier while maintaining high accuracy. GSpaRC represents the RF environment using a compact set of 3D Gaussian primitives, each parameterized by a lightweight neural model augmented with physics-informed features such as distance-based attenuation. Unlike traditional vision-based splatting pipelines, GSpaRC is tailored for RF reception: it employs an equirectangular projection onto a hemispherical surface centered at the receiver to reflect omnidirectional antenna behavior. A custom CUDA pipeline enables fully parallelized directional sorting, splatting, and rendering across frequency and spatial dimensions. Evaluated on multiple RF datasets, GSpaRC achieves similar CSI reconstruction fidelity to recent state-of-the-art methods while reducing training and inference time by over an order of magnitude. By trading modest GPU computation for a substantial reduction in pilot overhead, GSpaRC enables scalable, low-latency channel estimation suitable for deployment in 5G and future wireless systems. The code is available here: \href{https://github.com/Nbhavyasai/GSpaRC-WirelessGaussianSplatting.git}{GSpaRC}.
URLs: https://github.com/Nbhavyasai/GSpaRC-WirelessGaussianSplatting.git
Authors: Fitria Wulandari Ramlan, Colm O'Riordan, Gabriel Kronberger, James McDermott
Abstract: Many machine learning models perform well when making predictions within the training data range, but often struggle when required to extrapolate beyond it. Symbolic regression (SR) using genetic programming (GP) can generate flexible models but is prone to unreliable behaviour in extrapolation. This paper investigates whether adding synthetic data can help improve performance in such cases. We apply Kernel Density Estimation (KDE) to identify regions in the input space where the training data is sparse. Synthetic data is then generated in those regions using a knowledge distillation approach: a teacher model generates predictions on new input points, which are then used to train a student model. We evaluate this method across six benchmark datasets, using neural networks (NN), random forests (RF), and GP both as teacher models (to generate synthetic data) and as student models (trained on the augmented data). Results show that GP models can often improve when trained on synthetic data, especially in extrapolation areas. However, the improvement depends on the dataset and teacher model used. The most important improvements are observed when synthetic data from GPe is used to train GPp in extrapolation regions. Changes in interpolation areas show only slight changes. We also observe heterogeneous errors, where model performance varies across different regions of the input space. Overall, this approach offers a practical solution for better extrapolation. Note: An earlier version of this work appeared in the GECCO 2025 Workshop on Symbolic Regression. This arXiv version corrects several parts of the original submission.
Authors: Antoine Salomon
Abstract: Biological neurons exhibit remarkable intelligence: they maintain internal states, communicate selectively with other neurons, and self-organize into complex graphs rather than rigid hierarchical layers. What if artificial intelligence could emerge from similarly intelligent computational units? We introduce Intelligent Neural Networks (INN), a paradigm shift where neurons are first-class entities with internal memory and learned communication patterns, organized in complete graphs rather than sequential layers. Each Intelligent Neuron combines selective state-space dynamics (knowing when to activate) with attention-based routing (knowing to whom to send signals), enabling emergent computation through graph-structured interactions. On the standard Text8 character modeling benchmark, INN achieves 1.705 Bit-Per-Character (BPC), significantly outperforming a comparable Transformer (2.055 BPC) and matching a highly optimized LSTM baseline. Crucially, a parameter-matched baseline of stacked Mamba blocks fails to converge (>3.4 BPC) under the same training protocol, demonstrating that INN's graph topology provides essential training stability. Ablation studies confirm this: removing inter-neuron communication degrades performance or leads to instability, proving the value of learned neural routing. This work demonstrates that neuron-centric design with graph organization is not merely bio-inspired -- it is computationally effective, opening new directions for modular, interpretable, and scalable neural architectures.
Authors: Miao Zhang, Junpeng Li, Changchun Hua, Yana Yang
Abstract: Weakly supervised learning has emerged as a practical alternative to fully supervised learning when complete and accurate labels are costly or infeasible to acquire. However, many existing methods are tailored to specific supervision patterns -- such as positive-unlabeled (PU), unlabeled-unlabeled (UU), complementary-label (CLL), partial-label (PLL), or similarity-unlabeled annotations -- and rely on post-hoc corrections to mitigate instability induced by indirect supervision. We propose a principled, unified framework that bypasses such post-hoc adjustments by directly formulating a stable surrogate risk grounded in the structure of weakly supervised data. The formulation naturally subsumes diverse settings -- including PU, UU, CLL, PLL, multi-class unlabeled, and tuple-based learning -- under a single optimization objective. We further establish a non-asymptotic generalization bound via Rademacher complexity that clarifies how supervision structure, model capacity, and sample size jointly govern performance. Beyond this, we analyze the effect of class-prior misspecification on the bound, deriving explicit terms that quantify its impact, and we study identifiability, giving sufficient conditions -- most notably via supervision stratification across groups -- under which the target risk is recoverable. Extensive experiments show consistent gains across class priors, dataset scales, and class counts -- without heuristic stabilization -- while exhibiting robustness to overfitting.
Authors: Panayiotis Panayiotou, Audrey Poinsot, Alessandro Leite, Nicolas Chesneau, Marc Schoenauer, \"Ozg\"ur \c{S}im\c{s}ek
Abstract: Causal machine learning (Causal ML) aims to answer "what if" questions using machine learning algorithms, making it a promising tool for high-stakes decision-making. Yet, empirical evaluation practices in Causal ML remain limited. Existing benchmarks often rely on a handful of hand-crafted or semi-synthetic datasets, leading to brittle, non-generalizable conclusions. To bridge this gap, we introduce CausalProfiler, a synthetic benchmark generator for Causal ML methods. Based on a set of explicit design choices about the class of causal models, queries, and data considered, the CausalProfiler randomly samples causal models, data, queries, and ground truths constituting the synthetic causal benchmarks. In this way, Causal ML methods can be rigorously and transparently evaluated under a variety of conditions. This work offers the first random generator of synthetic causal benchmarks with coverage guarantees and transparent assumptions operating on the three levels of causal reasoning: observation, intervention, and counterfactual. We demonstrate its utility by evaluating several state-of-the-art methods under diverse conditions and assumptions, both in and out of the identification regime, illustrating the types of analyses and insights the CausalProfiler enables.
Authors: Abdullah Al Asif, Mobina Kashaniyan, Sixing Yu, Juan Pablo Mu\~noz, Ali Jannesari
Abstract: Recent advances in sequence modeling have introduced selective SSMs as promising alternatives to Transformer architectures, offering theoretical computational efficiency and sequence processing advantages. A comprehensive understanding of selective SSMs in runtime behavior, resource utilization patterns, and scaling characteristics still remains unexplored, thus obstructing their optimal deployment and further architectural improvements. This paper presents a thorough empirical study of Mamba-1 and Mamba-2, systematically profiled for performance to assess the design principles that contribute to their efficiency in state-space modeling. A detailed analysis of computation patterns, memory access, I/O characteristics, and scaling properties was performed for sequence lengths ranging from 64 to 16384 tokens. Our findings show that the SSM component, a central part of the selective SSM architecture, demands a significant portion of computational resources compared to other components in the Mamba block. Based on these insights, we propose a pruning technique that selectively removes low-activity states within the SSM component, achieving measurable throughput and memory gains while maintaining accuracy within a moderate pruning regime. This approach results in performance improvements across varying sequence lengths, achieving a 1.14x speedup and reducing memory usage by 11.50\%. These results offer valuable guidance for designing more efficient SSM architectures that can be applied to a wide range of real-world applications.
Authors: Jiawen Wei, Lan Jiang, Pengbo Wei, Ziwen Ye, Teng Song, Chen Chen, Guangrui Ma
Abstract: Time series data is ubiquitous, with forecasting applications spanning from finance to healthcare. Beyond popular deterministic methods, generative models are gaining attention due to advancements in areas like image synthesis and video generation, as well as their inherent ability to provide probabilistic predictions. However, existing generative approaches mostly involve recurrent generative operations or repeated denoising steps, making the prediction laborious, particularly for long-term forecasting. Most of them only conduct experiments for relatively short-term forecasting, with limited comparison to deterministic methods in long-term forecasting, leaving their practical advantages unclear. This paper presents TARFVAE, a novel generative framework that combines the Transformer-based autoregressive flow (TARFLOW) and variational autoencoder (VAE) for efficient one-step generative time series forecasting. Inspired by the rethinking that complex architectures for extracting time series representations might not be necessary, we add a flow module, TARFLOW, to VAE to promote spontaneous learning of latent variables that benefit predictions. TARFLOW enhances VAE's posterior estimation by breaking the Gaussian assumption, thereby enabling a more informative latent space. TARFVAE uses only the forward process of TARFLOW, avoiding autoregressive inverse operations and thus ensuring fast generation. During generation, it samples from the prior latent space and directly generates full-horizon forecasts via the VAE decoder. With simple MLP modules, TARFVAE achieves superior performance over state-of-the-art deterministic and generative models across different forecast horizons on benchmark datasets while maintaining efficient prediction speed, demonstrating its effectiveness as an efficient and powerful solution for generative time series forecasting.
Authors: Finn G. Vamosi, Nils D. Forkert
Abstract: When people reason about cause and effect, they often consider many competing "what if" scenarios before deciding which explanation fits best. Analogously, advanced language models capable of causal inference can consider multiple interventions and counterfactuals to judge the validity of causal claims. Crucially, this type of reasoning is less like a single calculation and more like an internal dialogue between alternative hypotheses. In this paper, we make this dialogue explicit through a dual-agent debate framework where one model provides a structured causal inference, and the other critically examines this reasoning for logical flaws. When disagreements arise, agents attempt to persuade each other, challenging each other's logic and revising their conclusions until they converge on a mutually agreed answer. To take advantage of this deliberative process, we specifically use reasoning language models, whose strengths in both causal inference and adversarial debate remain under-explored relative to standard large language models. We evaluate our approach on the CLadder dataset, a benchmark linking natural language questions to formally defined causal graphs across all three rungs of Pearl's ladder of causation. With Qwen3 and DeepSeek-R1 as debater agents, we demonstrate that multi-agent debate improves DeepSeek-R1's overall accuracy in causal inference from 78.03% to 87.45%, with the counterfactual category specifically improving from 67.94% to 80.04% accuracy. Similarly, Qwen3's overall accuracy improves from 84.16% to 89.41%, and counterfactual questions from 71.53% to 80.35%, showing that strong models can still benefit greatly from debate with weaker agents. Our results highlight the potential of reasoning models as building blocks for multi-agent systems in causal inference, and demonstrate the importance of diverse perspectives in causal problem-solving.
Authors: Jiacheng Li, Songhe Feng
Abstract: Test-time adaptation (TTA) enables online model adaptation using only unlabeled test data, aiming to bridge the gap between source and target distributions. However, in multimodal scenarios, varying degrees of distribution shift across different modalities give rise to a complex coupling effect of unimodal shallow feature shift and cross-modal high-level semantic misalignment, posing a major obstacle to extending existing TTA methods to the multimodal field. To address this challenge, we propose a novel multimodal test-time adaptation (MMTTA) framework, termed as Bridging Modalities via Progressive Re-alignment (BriMPR). BriMPR, consisting of two progressively enhanced modules, tackles the coupling effect with a divide-and-conquer strategy. Specifically, we first decompose MMTTA into multiple unimodal feature alignment sub-problems. By leveraging the strong function approximation ability of prompt tuning, we calibrate the unimodal global feature distributions to their respective source distributions, so as to achieve the initial semantic re-alignment across modalities. Subsequently, we assign the credible pseudo-labels to combinations of masked and complete modalities, and introduce inter-modal instance-wise contrastive learning to further enhance the information interaction among modalities and refine the alignment. Extensive experiments on MMTTA tasks, including both corruption-based and real-world domain shift benchmarks, demonstrate the superiority of our method. Our source code is available at [this URL](https://github.com/Luchicken/BriMPR).
Authors: Bharat Sharman, Elkafi Hassini
Abstract: Numerous graph neural network (GNN)-based algorithms have been proposed to solve graph-based combinatorial optimization problems (COPs), but methods to explain their predictions remain largely undeveloped. We introduce ARM-Explainer, a post-hoc, model-level explainer based on association rule mining, and demonstrate it on the predictions of the hybrid geometric scattering (HGS) GNN for the maximum clique problem (MCP), a canonical NP-hard graph-based COP. The eight most explanatory association rules discovered by ARM-Explainer achieve high median lift and confidence values of 2.42 and 0.49, respectively, on test instances from the TWITTER and BHOSLIB-DIMACS benchmark datasets. ARM-Explainer identifies the most important node features, together with their value ranges, that influence the GNN's predictions on these datasets. Furthermore, augmenting the GNN with informative node features substantially improves its performance on the MCP, increasing the median largest-found clique size by 22% (from 29.5 to 36) on large graphs from the BHOSLIB-DIMACS dataset.
Authors: William Ghanem
Abstract: We construct pushforward distributions via the universal covering map rho: S^3 -> L(p;q) with the goal of approximating these distributions using flows on L(p;q). We highlight that our method deletes redundancies in the case of a symmetric S^3 distribution. Using our model, we approximate the pushforwards of von Mises-Fisher-induced target densities as well as that of a Z_12-symmetric Boltzmann distribution on S^3 constructed to model benzene.
Authors: Md. Muhtashim Shahrier, Nazmul Haque, Md Asif Raihan, Md. Hadiuzzaman
Abstract: As cities around the world aim to improve walkability and safety, understanding the irregular and unpredictable nature of pedestrian behavior has become increasingly important. This study introduces a data-driven framework for modeling chaotic pedestrian movement using empirically observed trajectory data and supervised learning. Videos were recorded during both daytime and nighttime conditions to capture pedestrian dynamics under varying ambient and traffic contexts. Pedestrian trajectories were extracted through computer vision techniques, and behavioral chaos was quantified using four chaos metrics: Approximate Entropy and Lyapunov Exponent, each computed for both velocity and direction change. A Principal Component Analysis (PCA) was then applied to consolidate these indicators into a unified chaos score. A comprehensive set of individual, group-level, and contextual traffic features was engineered and used to train Random Forest and CatBoost regression models. CatBoost models consistently achieved superior performance. The best daytime PCA-based CatBoost model reached an R^2 of 0.8319, while the nighttime PCA-based CatBoost model attained an R^2 of 0.8574. SHAP analysis highlighted that features such as distance travel, movement duration, and speed variability were robust contributors to chaotic behavior. The proposed framework enables practitioners to quantify and anticipate behavioral instability in real-world settings. Planners and engineers can use chaos scores to identify high-risk pedestrian zones, apprise infrastructure improvements, and calibrate realistic microsimulation models. The approach also supports adaptive risk assessment in automated vehicle systems by capturing short-term motion unpredictability grounded in observable, interpretable features.
Authors: Gurusha Juneja, Deepak Nathani, William Yang Wang
Abstract: Process Reward Models (PRMs) enhance reasoning ability of LLMs by providing step-level supervision. However, their widespread adoption is limited due to expensive manual step-level annotation and poor generalization of static training data to novel errors. We introduce Adversarially Trained PRMs (\texttt{APRM}), where a Generator ($G$) learns to produce reasoning errors to deceive a PRM ($R$), while $R$ concurrently learns to detect them. This interaction yields progressively harder negatives for $R$, improving its robustness and generalization to novel errors without requiring manual step-level labels. Averaged across diverse mathematical reasoning benchmarks, \texttt{APRM} improves solver accuracy by $+3.4$ percentage points (pp) over the strongest PRM baseline. \texttt{APRM} achieves gains of $+5.3$ pp on out-of-distribution tasks.
Authors: Yuhao Xu, Xiaoda Wang, Jiaying Lu, Sirui Ding, Defu Cao, Huaxiu Yao, Yan Liu, Xiao Hu, Carl Yang
Abstract: Electrocardiogram (ECG) analysis plays a vital role in the early detection, monitoring, and management of various cardiovascular conditions. While existing models have achieved notable success in ECG interpretation, they fail to leverage the interrelated nature of various cardiac abnormalities. Conversely, developing a specific model capable of extracting all relevant features for multiple ECG tasks remains a significant challenge. Large-scale foundation models, though powerful, are not typically pretrained on ECG data, making full re-training or fine-tuning computationally expensive. To address these challenges, we propose EnECG(Mixture of Experts-based Ensemble Learning for ECG Multi-tasks), an ensemble-based framework that integrates multiple specialized foundation models, each excelling in different aspects of ECG interpretation. Instead of relying on a single model or single task, EnECG leverages the strengths of multiple specialized models to tackle a variety of ECG-based tasks. To mitigate the high computational cost of full re-training or fine-tuning, we introduce a lightweight adaptation strategy: attaching dedicated output layers to each foundation model and applying Low-Rank Adaptation (LoRA) only to these newly added parameters. We then adopt a Mixture of Experts (MoE) mechanism to learn ensemble weights, effectively combining the complementary expertise of individual models. Our experimental results demonstrate that by minimizing the scope of fine-tuning, EnECG can help reduce computational and memory costs while maintaining the strong representational power of foundation models. This framework not only enhances feature extraction and predictive performance but also ensures practical efficiency for real-world clinical applications. The code is available at https://github.com/yuhaoxu99/EnECG.git.
Authors: Ethan Ji, Yuanzhou Chen, Arush Ramteke, Fang Sun, Tianrun Yu, Jai Parera, Wei Wang, Yizhou Sun
Abstract: Partial differential equations (PDEs) are central to dynamical systems modeling, particularly in hydrodynamics, where traditional solvers often struggle with nonlinearity and computational cost. Lagrangian neural surrogates such as GNS and SEGNN have emerged as strong alternatives by learning from particle-based simulations. However, these models typically operate with limited receptive fields, making them inaccurate for capturing the inherently global interactions in fluid flows. Motivated by this observation, we introduce Convolutional Residual Global Interactions (CORGI), a hybrid architecture that augments any GNN-based solver with a lightweight Eulerian component for global context aggregation. By projecting particle features onto a grid, applying convolutional updates, and mapping them back to the particle domain, CORGI captures long-range dependencies without significant overhead. When applied to a GNS backbone, CORGI achieves a 57% improvement in rollout accuracy with only 13% more inference time and 31% more training time. Compared to SEGNN, CORGI improves accuracy by 49% while reducing inference time by 48% and training time by 30%. Even under identical runtime constraints, CORGI outperforms GNS by 47% on average, highlighting its versatility and performance on varied compute budgets.
Authors: Prateek Chanda, Prayas Agrawal, Saral Sureka, Lokesh Reddy Polu, Atharv Kshirsagar, Ganesh Ramakrishnan
Abstract: Traditional curriculum learning proceeds from easy to hard samples, yet defining a reliable notion of difficulty remains elusive. Prior work has used submodular functions to induce difficulty scores in curriculum learning. We reinterpret adaptive subset selection and formulate it as a multi-armed bandit problem, where each arm corresponds to a submodular function guiding sample selection. We introduce ONLINESUBMOD, a novel online greedy policy that optimizes a utility-driven reward and provably achieves no-regret performance under various sampling regimes. Empirically, ONLINESUBMOD outperforms both traditional curriculum learning and bi-level optimization approaches across vision and language datasets, showing superior accuracy-efficiency tradeoffs. More broadly, we show that validationdriven reward metrics offer a principled way to guide the curriculum schedule.
Authors: Shrihari Sridharan, Sourjya Roy, Anand Raghunathan, Kaushik Roy
Abstract: Large Language Models (LLMs) have achieved state-of-the-art accuracies in a variety of natural language processing (NLP) tasks. However, this success comes at the cost of increased model sizes which leads to additional computational burden. Mixture of Experts (MoEs) overcome this bottleneck by decoupling model capacity from computation by only activating a subset of parameters or "experts". However, these models require joint pretraining of these experts along with the router and do not model multi-step reasoning. In contrast, multi-agent frameworks improve reasoning by decomposing complex problems into modular subtasks. However, these frameworks rely on sequential "plan--act--observe" loops, which introduce significant latency. Our work, Comp-LLM, addresses these challenges by introducing a composable inference framework that enables cross-expert collaboration via an explicit sub-query dependency graph. Comp-LLM consists of three components: (1) A Sub-query Generator that decomposes an input query, assigns each sub-query to an appropriate expert using embedding similarity, and constructs a dependency graph; (2) A Query Executor that processes nodes in the graph and identifies opportunities for parallelism based on dependencies and resource constraints; and (3) A Response Aggregator that synthesizes intermediate expert responses into a coherent final answer. Across several benchmarks, Comp-LLM achieves up to 11.01% accuracy improvement over monolithic LLMs of similar size, while offering 1.67x--3.56x reduction in model size with no significant degradation relative to the largest model in its family. Additionally, Comp-LLM provides 1.1x--1.7x latency improvement compared to sequential sub-query processing.
Authors: Minh Duc Vu, Mingshuo Liu, Doudou Zhou
Abstract: Measuring how central or typical a data point is underpins robust estimation, ranking, and outlier detection, but classical depth notions become expensive and unstable in high dimensions and are hard to extend beyond Euclidean data. We introduce Fused Unified centrality Score Estimation (FUSE), a neural centrality framework that operates on top of arbitrary representations. FUSE combines a global head, trained from pairwise distance-based comparisons to learn an anchor-free centrality score, with a local head, trained by denoising score matching to approximate a smoothed log-density potential. A single parameter between 0 and 1 interpolates between these calibrated signals, yielding depth-like centrality from different views via one forward pass. Across synthetic distributions, real images, time series, and text data, and standard outlier detection benchmarks, FUSE recovers meaningful classical ordering, reveals multi-scale geometric structures, and attains competitive performance with strong classical baselines while remaining simple and efficient.
Authors: Xiaoxuan Wang, Rolf Stadler
Abstract: We study automated intrusion prediction in an IT system using statistical learning methods. The focus is on developing online attack predictors that detect attacks in real time and identify the current stage of the attack. While such predictors have been proposed in the recent literature, these works typically rely on constructing a monolithic predictor tailored to a specific attack type and scenario. Given that hundreds of attack types are cataloged in the MITRE framework, training a separate monolithic predictor for each of them is infeasible. In this paper, we propose a modular framework for rapidly assembling online attack predictors from reusable components. The modular nature of a predictor facilitates controlling key metrics like timeliness and accuracy of prediction, as well as tuning the trade-off between them. Using public datasets for training and evaluation, we provide many examples of modular predictors and show how an effective predictor can be dynamically assembled during training from a network of modular components.
Authors: Kulin Shah, Bhuvesh Kumar, Neil Shah, Liam Collins
Abstract: Generative recommendation (GR) with semantic IDs (SIDs) has emerged as a promising alternative to traditional recommendation approaches due to its performance gains, capitalization on semantic information provided through language model embeddings, and inference and storage efficiency. Existing GR with SIDs works frame the probability of a sequence of SIDs corresponding to a user's interaction history using autoregressive modeling. While this has led to impressive next item prediction performances in certain settings, these autoregressive GR with SIDs models suffer from expensive inference due to sequential token-wise decoding, potentially inefficient use of training data and bias towards learning short-context relationships among tokens. Inspired by recent breakthroughs in NLP, we propose to instead model and learn the probability of a user's sequence of SIDs using masked diffusion. Masked diffusion employs discrete masking noise to facilitate learning the sequence distribution, and models the probability of masked tokens as conditionally independent given the unmasked tokens, allowing for parallel decoding of the masked tokens. We demonstrate through thorough experiments that our proposed method consistently outperforms autoregressive modeling. This performance gap is especially pronounced in data-constrained settings and in terms of coarse-grained recall, consistent with our intuitions. Moreover, our approach allows the flexibility of predicting multiple SIDs in parallel during inference while maintaining superior performance to autoregressive modeling.
Authors: Changhun Kim, Yechan Mun, Hyeongwon Jang, Eunseo Lee, Sangchul Hahn, Eunho Yang
Abstract: Explaining online time series monitoring models is crucial across sensitive domains such as healthcare and finance, where temporal and contextual prediction dynamics underpin critical decisions. While recent XAI methods have improved the explainability of time series models, they mostly analyze each time step independently, overlooking temporal dependencies. This results in further challenges: explaining prediction changes is non-trivial, methods fail to leverage online dynamics, and evaluation remains difficult. To address these challenges, we propose Delta-XAI, which adapts 14 existing XAI methods through a wrapper function and introduces a principled evaluation suite for the online setting, assessing diverse aspects, such as faithfulness, sufficiency, and coherence. Experiments reveal that classical gradient-based methods, such as Integrated Gradients (IG), can outperform recent approaches when adapted for temporal analysis. Building on this, we propose Shifted Window Integrated Gradients (SWING), which incorporates past observations in the integration path to systematically capture temporal dependencies and mitigate out-of-distribution effects. Extensive experiments consistently demonstrate the effectiveness of SWING across diverse settings with respect to diverse metrics. Our code is publicly available at https://anonymous.4open.science/r/Delta-XAI.
Authors: Akira Tamamori
Abstract: High-capacity kernel Hopfield networks exhibit a "Ridge of Optimization" characterized by extreme stability. While previously linked to "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: Pankhil Gawade, Adam Izdebski, Myriam Lizotte, Kevin R. Moon, Jake S. Rhodes, Guy Wolf, Ewa Szczurek
Abstract: Pretrained transformers provide rich, general-purpose embeddings, which are transferred to downstream tasks. However, current transfer strategies: fine-tuning and probing, either distort the pretrained geometric structure of the embeddings or lack sufficient expressivity to capture task-relevant signals. These issues become even more pronounced when supervised data are scarce. Here, we introduce Freeze, Diffuse, Decode (FDD), a novel diffusion-based framework that adapts pre-trained embeddings to downstream tasks while preserving their underlying geometric structure. FDD propagates supervised signal along the intrinsic manifold of frozen embeddings, enabling a geometry-aware adaptation of the embedding space. Applied to antimicrobial peptide design, FDD yields low-dimensional, predictive, and interpretable representations that support property prediction, retrieval, and latent-space interpolation.
Authors: David Leeftink, Roman Doll, Heleen Visserman, Marco Post, Faysal Boughorbel, Max Hinne, Marcel van Gerven
Abstract: Laser dicing of semiconductor wafers is a critical step in microelectronic manufacturing, where multiple sequential laser passes precisely separate individual dies from the wafer. Adapting this complex sequential process to new wafer materials typically requires weeks of expert effort to balance process speed, separation quality, and material integrity. We present the first automated discovery of production-ready laser dicing processes on an industrial LASER1205 dicing system. We formulate the problem as a high-dimensional, constrained multi-objective Bayesian optimization task, and introduce a sequential two-level fidelity strategy to minimize expensive destructive die-strength evaluations. On bare silicon and product wafers, our method autonomously delivers feasible configurations that match or exceed expert baselines in production speed, die strength, and structural integrity, using only technician-level operation. Post-hoc validation of different weight configurations of the utility functions reveals that multiple feasible solutions with qualitatively different trade-offs can be obtained from the final surrogate model. Expert-refinement of the discovered process can further improve production speed while preserving die strength and structural integrity, surpassing purely manual or automated methods.
Authors: Ard Kastrati, Luca Lanzend\"orfer, Riccardo Rigoni, John Staib Matilla, Roger Wattenhofer
Abstract: EEG and audio are inherently distinct modalities, differing in sampling rate, channel structure, and scale. Yet, we show that pretrained neural audio codecs can serve as effective starting points for EEG compression, provided that the data are preprocessed to be suitable to the codec's input constraints. Using DAC, a state-of-the-art neural audio codec as our base, we demonstrate that raw EEG can be mapped into the codec's stride-based framing, enabling direct reuse of the audio-pretrained encoder-decoder. Even without modification, this setup yields stable EEG reconstructions, and fine-tuning on EEG data further improves fidelity and generalization compared to training from scratch. We systematically explore compression-quality trade-offs by varying residual codebook depth, codebook (vocabulary) size, and input sampling rate. To capture spatial dependencies across electrodes, we propose DAC-MC, a multi-channel extension with attention-based cross-channel aggregation and channel-specific decoding, while retaining the audio-pretrained initialization. Evaluations on the TUH Abnormal and Epilepsy datasets show that the adapted codecs preserve clinically relevant information, as reflected in spectrogram-based reconstruction loss and downstream classification accuracy.
Authors: Dongsung Huh, Halyun Jeong
Abstract: We analyze the HyperCube model, an \textit{operator-valued} tensor factorization architecture that discovers group structures and their unitary representations. We provide a rigorous theoretical explanation for this inductive bias by decomposing its objective into a term regulating factor scales ($\mathcal{B}$) and a term enforcing directional alignment ($\mathcal{R} \geq 0$). This decomposition isolates the \textit{collinear manifold} ($\mathcal{R}=0$), to which numerical optimization consistently converges for group isotopes. We prove that this manifold admits feasible solutions exclusively for group isotopes, and that within it, $\mathcal{B}$ exerts a variational pressure toward unitarity. To bridge the gap to the global landscape, we formulate a \textit{Collinearity Dominance Conjecture}, supported by empirical observations. Conditional on this dominance, we prove two key results: (1) the global minimum is achieved by the unitary regular representation for groups, and (2) non-group operations incur a strictly higher objective value, formally quantifying the model's inductive bias toward the associative structure of groups (up to isotopy).
Authors: Anders Vestergaard N{\o}rskov, Kasper J{\o}rgensen, Alexander Neergaard Zahid, Morten M{\o}rup
Abstract: Event-related potentials (ERP) are measurements of brain activity with wide applications in basic and clinical neuroscience, that are typically estimated using the average of many trials of electroencephalography signals (EEG) to sufficiently reduce noise and signal variability. We introduce EEG2ERP, a novel uncertainty-aware autoencoder approach that maps an arbitrary number of EEG trials to their associated ERP. To account for the ERP uncertainty we use bootstrapped training targets and introduce a separate variance decoder to model the uncertainty of the estimated ERP. We evaluate our approach in the challenging zero-shot scenario of generalizing to new subjects considering three different publicly available data sources; i) the comprehensive ERP CORE dataset that includes over 50,000 EEG trials across six ERP paradigms from 40 subjects, ii) the large P300 Speller BCI dataset, and iii) a neuroimaging dataset on face perception consisting of both EEG and magnetoencephalography (MEG) data. We consistently find that our method in the few trial regime provides substantially better ERP estimates than commonly used conventional and robust averaging procedures. EEG2ERP is the first deep learning approach to map EEG signals to their associated ERP, moving toward reducing the number of trials necessary for ERP research. Code is available at https://github.com/andersxa/EEG2ERP
Authors: Nursultan Amanzhol, Jurn-Gyu Park
Abstract: The growing deployment of Vision Transformers (ViTs) on energy-constrained devices requires evaluation methods that go beyond accuracy alone. We present a two-stage pipeline for assessing ViT energy efficiency that combines device-agnostic model selection with device-related measurements. We benchmark 13 ViT models on ImageNet-1K and CIFAR-10, running inference on NVIDIA Jetson TX2 (edge device) and an NVIDIA RTX 3050 (mobile GPU). The device-agnostic stage uses the NetScore metric for screening; the device-related stage ranks models with the Sustainable Accuracy Metric (SAM). Results show that hybrid models such as LeViT_Conv_192 reduce energy by up to 53% on TX2 relative to a ViT baseline (e.g., SAM5=1.44 on TX2/CIFAR-10), while distilled models such as TinyViT-11M_Distilled excel on the mobile GPU (e.g., SAM5=1.72 on RTX 3050/CIFAR-10 and SAM5=0.76 on RTX 3050/ImageNet-1K).
Authors: Yuting Fang, Qouc Le Gia, Flora Salim
Abstract: Irregularly sampled time series with substantial missing observations are common in healthcare and sensor networks. We introduce SDE-Attention, a family of SDE-RNNs equipped with channel-level attention on the latent pre-RNN state, including channel recalibration, time-varying feature attention, and pyramidal multi-scale self-attention. We therefore conduct a comparison on a synthetic periodic dataset and real-world benchmarks, under varying missing rate. Latent-space attention consistently improves over a vanilla SDE-RNN. On the univariate UCR datasets, the LSTM-based time-varying feature model SDE-TVF-L achieves the highest average accuracy, raising mean performance by approximately 4, 6, and 10 percentage points over the baseline at 30%, 60% and 90% missingness, respectively (averaged across datasets). On multivariate UEA benchmarks, attention-augmented models again outperform the backbone, with SDE-TVF-L yielding up to a 7% gain in mean accuracy under high missingness. Among the proposed mechanisms, time-varying feature attention is the most robust on univariate datasets. On multivariate datasets, different attention types excel on different tasks, showing that SDE-Attention can be flexibly adapted to the structure of each problem.
Authors: Wei Shi, Yuan Cao
Abstract: Transformers have proven highly effective across various applications, especially in handling sequential data such as natural languages and time series. However, transformer models often lack clear interpretability, and the success of transformers has not been well understood in theory. In this paper, we study the capability and interpretability of transformers in learning a family of classic statistical models, namely random walks on circles. We theoretically demonstrate that, after training with gradient descent, a one-layer transformer model can achieve optimal accuracy in predicting random walks. Importantly, our analysis reveals that the trained model is interpretable: the trained softmax attention serves as a token selector, focusing on the direct parent state; subsequently, the value matrix executes a one-step probability transition to predict the location of the next state based on this parent state. We also show that certain edge cases not covered by our theory are indeed failure cases, demonstrating that our theoretical conditions are tight. By investigating these success and failure cases, it is revealed that gradient descent with small initialization may fail or struggle to converge to a good solution in certain simple tasks even beyond random walks. Experiments are conducted to support our theoretical findings.
Authors: Jonathan Ethier
Abstract: Traditional and modern machine learning-based path loss models typically assume a constant prediction variance. We propose a neural network that jointly predicts the mean and link-specific variance by minimizing a Gaussian negative log-likelihood, enabling heteroscedastic uncertainty estimates. We compare shared, partially shared, and independent-parameter architectures using accuracy, calibration, and sharpness metrics on blind test sets from large public RF drive-test datasets. The shared-parameter architecture performs best, achieving an RMSE of 7.4 dB, 95.1 percent coverage for 95 percent prediction intervals, and a mean interval width of 29.6 dB. These uncertainty estimates further support link-specific coverage margins, improve RF planning and interference analyses, and provide effective self-diagnostics of model weaknesses.
Authors: Linghao Kong, Xiaopeng Hong
Abstract: Deep neural network-based time series prediction models have recently demonstrated superior capabilities in capturing complex temporal dependencies. However, it is challenging for these models to account for uncertainty associated with their predictions, because they directly output scalar values at each time step. To address such a challenge, we propose a novel model named interleaved dual-branch Probability Distribution Network (interPDN), which directly constructs discrete probability distributions per step instead of a scalar. The regression output at each time step is derived by computing the expectation of the predictive distribution on a predefined support set. To mitigate prediction anomalies, a dual-branch architecture is introduced with interleaved support sets, augmented by coarse temporal-scale branches for long-term trend forecasting. Outputs from another branch are treated as auxiliary signals to impose self-supervised consistency constraints on the current branch's prediction. Extensive experiments on multiple real-world datasets demonstrate the superior performance of interPDN.
Authors: George Tyler, Luca Zanetti
Abstract: We revisit the theoretical performances of Spectral Clustering, a classical algorithm for graph partitioning that relies on the eigenvectors of a matrix representation of the graph. Informally, we show that Spectral Clustering works well as long as the smallest eigenvalues appear in groups well separated from the rest of the matrix representation's spectrum. This arises, for example, whenever there exists a hierarchy of clusters at different scales, a regime not captured by previous analyses. Our results are very general and can be applied beyond the traditional graph Laplacian. In particular, we study Hermitian representations of digraphs and show Spectral Clustering can recover partitions where edges between clusters are oriented mostly in the same direction. This has applications in, for example, the analysis of trophic levels in ecological networks. We demonstrate that our results accurately predict the performances of Spectral Clustering on synthetic and real-world data sets.
Authors: Ariful Islam, Md Rifat Hossen, Tanvir Mahmud
Abstract: Multi-aspect sentiment analysis of Bangla e-commerce reviews remains challenging due to limited annotated datasets, morphological complexity, code-mixing phenomena, and domain shift issues, affecting 300 million Bangla-speaking users. Existing approaches lack explainability and cross-domain generalization capabilities crucial for practical deployment. We present BanglaSentNet, an explainable hybrid deep learning framework integrating LSTM, BiLSTM, GRU, and BanglaBERT through dynamic weighted ensemble learning for multi-aspect sentiment classification. We introduce a dataset of 8,755 manually annotated Bangla product reviews across four aspects (Quality, Service, Price, Decoration) from major Bangladeshi e-commerce platforms. Our framework incorporates SHAP-based feature attribution and attention visualization for transparent insights. BanglaSentNet achieves 85% accuracy and 0.88 F1-score, outperforming standalone deep learning models by 3-7% and traditional approaches substantially. The explainability suite achieves 9.4/10 interpretability score with 87.6% human agreement. Cross-domain transfer learning experiments reveal robust generalization: zero-shot performance retains 67-76% effectiveness across diverse domains (BanglaBook reviews, social media, general e-commerce, news headlines); few-shot learning with 500-1000 samples achieves 90-95% of full fine-tuning performance, significantly reducing annotation costs. Real-world deployment demonstrates practical utility for Bangladeshi e-commerce platforms, enabling data-driven decision-making for pricing optimization, service improvement, and customer experience enhancement. This research establishes a new state-of-the-art benchmark for Bangla sentiment analysis, advances ensemble learning methodologies for low-resource languages, and provides actionable solutions for commercial applications.
Authors: Joongwon Chae, Runming Wang, Chen Xiong, Gong Yunhan, Lian Zhang, Ji Jiansong, Dongmei Yu, Peiwu Qin
Abstract: Effective surveillance of hand, foot and mouth disease (HFMD) requires forecasts accounting for epidemiological patterns and contextual drivers like school calendars and weather. While classical models and recent foundation models (e.g., Chronos, TimesFM) incorporate covariates, they often lack the semantic reasoning to interpret the causal interplay between conflicting drivers. In this work, we propose a two-agent framework decoupling contextual interpretation from probabilistic forecasting. An LLM "event interpreter" processes heterogeneous signals-including school schedules, meteorological summaries, and reports-into a scalar transmission-impact signal. A neuro-symbolic core then combines this with historical case counts to produce calibrated probabilistic forecasts. We evaluate the framework on real-world HFMD datasets from Hong Kong (2023-2024) and Lishui, China (2024). Compared to traditional and foundation-model baselines, our approach achieves competitive point forecasting accuracy while providing robust 90% prediction intervals (coverage 0.85-1.00) and human-interpretable rationales. Our results suggest that structurally integrating domain knowledge through LLMs can match state-of-the-art performance while yielding context-aware forecasts that align with public health workflows. Code is available at https://github.com/jw-chae/forecast_MED .
Authors: Xinnong Du, Zhonghao Lyu, Xiaowen Cao, Chunyang Wen, Shuguang Cui, Jie Xu
Abstract: Federated edge learning (FEEL) provides a promising foundation for edge artificial intelligence (AI) by enabling collaborative model training while preserving data privacy. However, limited and heterogeneous local datasets, as well as resource-constrained deployment, severely degrade both model generalization and resource utilization, leading to a compromised learning performance. Therefore, we propose a parameter-efficient FEEL framework that jointly leverages model pruning and client selection to tackle such challenges. First, we derive an information-theoretic generalization statement that characterizes the discrepancy between training and testing function losses and embed it into the convergence analysis. It reveals that a larger local generalization statement can undermine the global convergence. Then, we formulate a generalization-aware average squared gradient norm bound minimization problem, by jointly optimizing the pruning ratios, client selection, and communication-computation resources under energy and delay constraints. Despite its non-convexity, the resulting mixed-integer problem is efficiently solved via an alternating optimization algorithm. Extensive experiments demonstrate that the proposed design achieves superior learning performance than state-of-the-art baselines, validating the effectiveness of coupling generalization-aware analysis with system-level optimization for efficient FEEL.
Authors: Ariful Islam, Tanvir Mahmud, Md Rifat Hossen
Abstract: The expansion of the Internet and social networks has led to an explosion of user-generated content. Author intent understanding plays a crucial role in interpreting social media content. This paper addresses author intent classification in Bangla social media posts by leveraging both textual and visual data. Recognizing limitations in previous unimodal approaches, we systematically benchmark transformer-based language models (mBERT, DistilBERT, XLM-RoBERTa) and vision architectures (ViT, Swin, SwiftFormer, ResNet, DenseNet, MobileNet), utilizing the Uddessho dataset of 3,048 posts spanning six practical intent categories. We introduce a novel intermediate fusion strategy that significantly outperforms early and late fusion on this task. Experimental results show that intermediate fusion, particularly with mBERT and Swin Transformer, achieves 84.11% macro-F1 score, establishing a new state-of-the-art with an 8.4 percentage-point improvement over prior Bangla multimodal approaches. Our analysis demonstrates that integrating visual context substantially enhances intent classification. Cross-modal feature integration at intermediate levels provides optimal balance between modality-specific representation and cross-modal learning. This research establishes new benchmarks and methodological standards for Bangla and other low-resource languages. We call our proposed framework BangACMM (Bangla Author Content MultiModal).
Authors: Hamid Gadirov
Abstract: Scientific simulations and experimental measurements produce vast amounts of spatio-temporal data, yet extracting meaningful insights remains challenging due to high dimensionality, complex structures, and missing information. Traditional analysis methods often struggle with these issues, motivating the need for more robust, data-driven approaches. This dissertation explores deep learning methodologies to improve the analysis and visualization of spatio-temporal scientific ensembles, focusing on dimensionality reduction, flow estimation, and temporal interpolation. First, we address high-dimensional data representation through autoencoder-based dimensionality reduction for scientific ensembles. We evaluate the stability of projection metrics under partial labeling and introduce a Pareto-efficient selection strategy to identify optimal autoencoder variants, ensuring expressive and reliable low-dimensional embeddings. Next, we present FLINT, a deep learning model for high-quality flow estimation and temporal interpolation in both flow-supervised and flow-unsupervised settings. FLINT reconstructs missing velocity fields and generates high-fidelity temporal interpolants for scalar fields across 2D+time and 3D+time ensembles without domain-specific assumptions or extensive finetuning. To further improve adaptability and generalization, we introduce HyperFLINT, a hypernetwork-based approach that conditions on simulation parameters to estimate flow fields and interpolate scalar data. This parameter-aware adaptation yields more accurate reconstructions across diverse scientific domains, even with sparse or incomplete data. Overall, this dissertation advances deep learning techniques for scientific visualization, providing scalable, adaptable, and high-quality solutions for interpreting complex spatio-temporal ensembles.
Authors: Enzo Nicol\'as Spotorno, Josafat Leal Filho, Ant\^onio Augusto Fr\"ohlich
Abstract: This paper presents a framework for physics-informed learning in complex cyber-physical systems governed by differential equations with both unknown dynamics and algebraic invariants. First, we formalize the Hybrid Recurrent Physics-Informed Neural Network (HRPINN), a general-purpose architecture that embeds known physics as a hard structural constraint within a recurrent integrator to learn only residual dynamics. Second, we introduce the Projected HRPINN (PHRPINN), a novel extension that integrates a predict-project mechanism to strictly enforce algebraic invariants by design. The framework is supported by a theoretical analysis of its representational capacity. We validate HRPINN on a real-world battery prognostics DAE and evaluate PHRPINN on a suite of standard constrained benchmarks. The results demonstrate the framework's potential for achieving high accuracy and data efficiency, while also highlighting critical trade-offs between physical consistency, computational cost, and numerical stability, providing practical guidance for its deployment.
Authors: Azusa Yamaguchi
Abstract: A clearer understanding of when coordination emerges, fluctuates, or collapses in decentralized multi-agent reinforcement learning (MARL) is increasingly sought in order to characterize the dynamics of multi-agent learning systems. We revisit fully independent Q-learning (IQL) as a minimal decentralized testbed and run large-scale experiments across environment size L and agent density rho. We construct a phase map using two axes - the cooperative success rate (CSR) and a stability index derived from TD-error variance - revealing three distinct regimes: a coordinated and stable phase, a fragile transition region, and a jammed or disordered phase. A sharp double Instability Ridge separates these regimes and corresponds to persistent kernel drift, the time-varying shift of each agent's effective transition kernel induced by others' policy updates. Synchronization analysis further shows that temporal alignment is required for sustained cooperation, and that competition between drift and synchronization generates the fragile regime. Removing agent identifiers eliminates drift entirely and collapses the three-phase structure, demonstrating that small inter-agent asymmetries are a necessary driver of drift. Overall, the results show that decentralized MARL exhibits a coherent phase structure governed by the interaction between scale, density, and kernel drift, suggesting that emergent coordination behaves as a distribution-interaction-driven phase phenomenon.
Authors: Bin Sun, Jingyi Zhou, Jianan Mu, Zhiteng Chao, Tianmeng Yang, Ziyue Xu, Jing Ye, Huawei Li
Abstract: In traditional EDA flows, layout-level performance metrics are only obtainable after placement and routing, hindering global optimization at earlier stages. Although some neural-network-based solutions predict layout-level performance directly from netlists, they often face generalization challenges due to the black-box heuristics of commercial placement-and-routing tools, which create disparate data across designs. To this end, we propose ParaGate, a three-step cross-stage prediction framework that infers layout-level timing and power from netlists. First, we propose a two-phase transfer-learning approach to predict parasitic parameters, pre-training on mid-scale circuits and fine-tuning on larger ones to capture extreme conditions. Next, we rely on EDA tools for timing analysis, offloading the long-path numerical reasoning. Finally, ParaGate performs global calibration using subgraph features. Experiments show that ParaGate achieves strong generalization with minimal fine-tuning data: on openE906, its arrival-time R2 from 0.119 to 0.897. These results demonstrate that ParaGate could provide guidance for global optimization in the synthesis and placement stages.
Authors: Bowen Wang, Matteo Zecchin, Osvaldo Simeone
Abstract: An associative memory (AM) enables cue-response recall, and it has recently been recognized as a key mechanism underlying modern neural architectures such as Transformers. In this work, we introduce the concept of distributed dynamic associative memory (DDAM), which extends classical AM to settings with multiple agents and time-varying data streams. In DDAM, each agent maintains a local AM that must not only store its own associations but also selectively memorize information from other agents based on a specified interest matrix. To address this problem, we propose a novel tree-based distributed online gradient descent algorithm, termed DDAM-TOGD, which enables each agent to update its memory on the fly via inter-agent communication over designated routing trees. We derive rigorous performance guarantees for DDAM-TOGD, proving sublinear static regret in stationary environments and a path-length dependent dynamic regret bound in non-stationary environments. These theoretical results provide insights into how communication delays and network structure impact performance. Building on the regret analysis, we further introduce a combinatorial tree design strategy that optimizes the routing trees to minimize communication delays, thereby improving regret bounds. Numerical experiments demonstrate that the proposed DDAM-TOGD framework achieves superior accuracy and robustness compared to representative online learning baselines such as consensus-based distributed optimization, confirming the benefits of the proposed approach in dynamic, distributed environments.
Authors: Kunanon Burathep, Thomas Erlebach, William K. Moses Jr
Abstract: We study the online unweighted bipartite matching problem in the random arrival order model, with $n$ offline and $n$ online vertices, in the learning-augmented setting: The algorithm is provided with untrusted predictions of the types (neighborhoods) of the online vertices. We build upon the work of Choo et al. (ICML 2024, pp. 8762-8781) who proposed an approach that uses a prefix of the arrival sequence as a sample to determine whether the predictions are close to the true arrival sequence and then either follows the predictions or uses a known baseline algorithm that ignores the predictions and is $\beta$-competitive. Their analysis is limited to the case that the optimal matching has size $n$, i.e., every online vertex can be matched. We generalize their approach and analysis by removing any assumptions on the size of the optimal matching while only requiring that the size of the predicted matching is at least $\alpha n$ for any constant $0 < \alpha \le 1$. Our learning-augmented algorithm achieves $(1-o(1))$-consistency and $(\beta-o(1))$-robustness. Additionally, we show that the competitive ratio degrades smoothly between consistency and robustness with increasing prediction error.
Authors: Jiajun Guo, Xin Luo, Jie Liu
Abstract: Split learning is well known as a method for resolving data privacy concerns by training a model on distributed devices, thereby avoiding data sharing that raises privacy issues. However, high network communication costs are always an impediment to split learning, especially for large foundation models that require transmitting large amounts of high-dimensional data. To resolve this issue, we present a new multimodal model structure that incorporates a learning-based data compression method, which compresses model embeddings into low-bit integers while preserving the model's performance, greatly reducing the transmission costs between partitions. We then determine the optimal number of discrete representation levels based on a solid theoretical foundation from entropy coding.
Authors: Alexander Amini, Anna Banaszak, Harold Benoit, Arthur B\"o\"ok, Tarek Dakhran, Song Duong, Alfred Eng, Fernando Fernandes, Marc H\"ark\"onen, Anne Harrington, Ramin Hasani, Saniya Karwa, Yuri Khrustalev, Maxime Labonne, Mathias Lechner, Valentine Lechner, Simon Lee, Zetian Li, Noel Loo, Jacob Marks, Edoardo Mosca, Samuel J. Paech, Paul Pak, Rom N. Parnichkun, Alex Quach, Ryan Rogers, Daniela Rus, Nayan Saxena, Bettina Schlager, Tim Seyde, Jimmy T. H. Smith, Aditya Tadimeti, Neehal Tumma
Abstract: We present LFM2, a family of Liquid Foundation Models designed for efficient on-device deployment and strong task capabilities. Using hardware-in-the-loop architecture search under edge latency and memory constraints, we obtain a compact hybrid backbone that combines gated short convolutions with a small number of grouped query attention blocks, delivering up to 2x faster prefill and decode on CPUs compared to similarly sized models. The LFM2 family covers 350M-8.3B parameters, including dense models (350M, 700M, 1.2B, 2.6B) and a mixture-of-experts variant (8.3B total, 1.5B active), all with 32K context length. LFM2's training pipeline includes a tempered, decoupled Top-K knowledge distillation objective that avoids support mismatch; curriculum learning with difficulty-ordered data; and a three-stage post-training recipe of supervised fine-tuning, length-normalized preference optimization, and model merging. Pre-trained on 10-12T tokens, LFM2 models achieve strong results across diverse benchmarks; for example, LFM2-2.6B reaches 79.56% on IFEval and 82.41% on GSM8K. We further build multimodal and retrieval variants: LFM2-VL for vision-language tasks, LFM2-Audio for speech, and LFM2-ColBERT for retrieval. LFM2-VL supports tunable accuracy-latency tradeoffs via token-efficient visual processing, while LFM2-Audio separates audio input and output pathways to enable real-time speech-to-speech interaction competitive with models 3x larger. LFM2-ColBERT provides a low-latency encoder for queries and documents, enabling high-performance retrieval across multiple languages. All models are released with open weights and deployment packages for ExecuTorch, llama.cpp, and vLLM, making LFM2 a practical base for edge applications that need fast, memory-efficient inference and strong task capabilities.
Authors: Bernhard Klein, Falk Selker, Hendrik Borras, Sophie Steger, Franz Pernkopf, Holger Fr\"oning
Abstract: Machine learning models perform well across domains such as diagnostics, weather forecasting, NLP, and autonomous driving, but their limited uncertainty handling restricts use in safety-critical settings. Traditional neural networks often fail to detect out-of-domain (OOD) data and may output confident yet incorrect predictions. Bayesian neural networks (BNNs) address this by providing probabilistic estimates, but incur high computational cost because predictions require sampling weight distributions and multiple forward passes. The Probabilistic Forward Pass (PFP) offers a highly efficient approximation to Stochastic Variational Inference (SVI) by assuming Gaussian-distributed weights and activations, enabling fully analytic uncertainty propagation and replacing sampling with a single deterministic forward pass. We present an end-to-end pipeline for training, compiling, optimizing, and deploying PFP-based BNNs on embedded ARM CPUs. Using the TVM deep learning compiler, we implement a dedicated library of Gaussian-propagating operators for multilayer perceptrons and convolutional neural networks, combined with manual and automated tuning strategies. Ablation studies show that PFP consistently outperforms SVI in computational efficiency, achieving speedups of up to 4200x for small mini-batches. PFP-BNNs match SVI-BNNs on Dirty-MNIST in accuracy, uncertainty estimation, and OOD detection while greatly reducing compute cost. These results highlight the potential of combining Bayesian approximations with code generation to enable efficient BNN deployment on resource-constrained systems.
Authors: Hang Yu, Di Zhang, Qiwei Du, Yanping Zhao, Hai Zhang, Guang Chen, Eduardo E. Veas, Junqiao Zhao
Abstract: Offline reinforcement learning (RL) enables agents to learn optimal policies from pre-collected datasets. However, datasets containing suboptimal and fragmented trajectories present challenges for reward propagation, resulting in inaccurate value estimation and degraded policy performance. While trajectory stitching via generative models offers a promising solution, existing augmentation methods frequently produce trajectories that are either confined to the support of the behavior policy or violate the underlying dynamics, thereby limiting their effectiveness for policy improvement. We propose ASTRO, a data augmentation framework that generates distributionally novel and dynamics-consistent trajectories for offline RL. ASTRO first learns a temporal-distance representation to identify distinct and reachable stitch targets. We then employ a dynamics-guided stitch planner that adaptively generates connecting action sequences via Rollout Deviation Feedback, defined as the gap between target state sequence and the actual arrived state sequence by executing predicted actions, to improve trajectory stitching's feasibility and reachability. This approach facilitates effective augmentation through stitching and ultimately enhances policy learning. ASTRO outperforms prior offline RL augmentation methods across various algorithms, achieving notable performance gain on the challenging OGBench suite and demonstrating consistent improvements on standard offline RL benchmarks such as D4RL.
Authors: Tianlong Huang, Zhiyuan Li
Abstract: This paper studies the role of activation functions in learning modular addition with two-layer neural networks. We first establish a sharp expressivity gap: sine MLPs admit width-$2$ exact realizations for any fixed length $m$ and, with bias, width-$2$ exact realizations uniformly over all lengths. In contrast, the width of ReLU networks must scale linearly with $m$ to interpolate, and they cannot simultaneously fit two lengths with different residues modulo $p$. We then provide a novel Natarajan-dimension generalization bound for sine networks, yielding nearly optimal sample complexity $\widetilde{\mathcal{O}}(p)$ for ERM over constant-width sine networks. We also derive width-independent, margin-based generalization for sine networks in the overparametrized regime and validate it. Empirically, sine networks generalize consistently better than ReLU networks across regimes and exhibit strong length extrapolation.
Authors: Ali Waseem, Malcolm Mielle
Abstract: Inverse heat problems refer to the estimation of material thermophysical properties given observed or known heat diffusion behaviour. Inverse heat problems have wide-ranging uses, but a critical application lies in quantifying how building facade renovation reduces thermal transmittance, a key determinant of building energy efficiency. However, solving inverse heat problems with non-invasive data collected in situ is error-prone due to environmental variability or deviations from theoretically assumed conditions. Hence, current methods for measuring thermal conductivity are either invasive, require lengthy observation periods, or are sensitive to environmental and experimental conditions. Here, we present a PINN-based iterative framework to estimate the thermal conductivity k of a wall from a set of thermographs; our framework alternates between estimating the forward heat problem with a PINN for a fixed k, and optimizing k by comparing the thermographs and surface temperatures predicted by the PINN, repeating until the estimated k's convergence. Using both environmental data captured by a weather station and data generated from Finite-Volume-Method software simulations, we accurately predict k across different environmental conditions and data collection sampling times, given the temperature profile of the wall at dawn is close to steady state. Although violating the steady-state assumption impacts the accuracy of k's estimation, we show that our proposed framework still only exhibits a maximum MAE of 4.0851. Our work demonstrates the potential of PINN-based methods for reliable estimation of material properties in situ and under realistic conditions, without lengthy measurement campaigns. Given the lack of research on using machine learning, and more specifically on PINNs, for solving in-situ inverse problems, we expect our work to be a starting point for more research on the topic.
Authors: Hans Gundlach, Jayson Lynch, Matthias Mertens, Neil Thompson
Abstract: Language models have seen enormous progress on advanced benchmarks in recent years, but much of this progress has only been possible by using more costly models. Benchmarks may therefore present a warped picture of progress in practical capabilities per dollar. To remedy this, we use data from Artificial Analysis and Epoch AI to form the largest dataset of current and historical prices to run benchmarks to date. We find that the price for a given level of benchmark performance has decreased remarkably fast, around $5\times$ to $10\times$ per year, for frontier models on knowledge, reasoning, math, and software engineering benchmarks. These reductions in the cost of AI inference are due to economic forces, hardware efficiency improvements, and algorithmic efficiency improvements. Isolating out open models to control for competition effects and dividing by hardware price declines, we estimate that algorithmic efficiency progress is around $3\times$ per year. Finally, we recommend that evaluators both publicize and take into account the price of benchmarking as an essential part of measuring the real-world impact of AI.
Authors: Xinyi Li, Zaishuo Xia, Weyl Lu, Chenjie Hao, Yubei Chen
Abstract: Current world models lack a unified and controlled setting for systematic evaluation, making it difficult to assess whether they truly capture the underlying rules that govern environment dynamics. In this work, we address this open challenge by introducing the SmallWorld Benchmark, a testbed designed to assess world model capability under isolated and precisely controlled dynamics without relying on handcrafted reward signals. Using this benchmark, we conduct comprehensive experiments in the fully observable state space on representative architectures including Recurrent State Space Model, Transformer, Diffusion model, and Neural ODE, examining their behavior across six distinct domains. The experimental results reveal how effectively these models capture environment structure and how their predictions deteriorate over extended rollouts, highlighting both the strengths and limitations of current modeling paradigms and offering insights into future improvement directions in representation learning and dynamics modeling.
Authors: Yiping Wang, Shao-Rong Su, Zhiyuan Zeng, Eva Xu, Liliang Ren, Xinyu Yang, Zeyi Huang, Xuehai He, Luyao Ma, Baolin Peng, Hao Cheng, Pengcheng He, Weizhu Chen, Shuohang Wang, Simon Shaolei Du, Yelong Shen
Abstract: Recent advances in large language models (LLMs) have enabled breakthroughs in mathematical discovery, exemplified by AlphaEvolve, a closed-source system that evolves programs to improve bounds on open problems. However, it relies on ensembles of frontier LLMs to achieve new bounds and is a pure inference system that models cannot internalize the evolving strategies. We introduce ThetaEvolve, an open-source framework that simplifies and extends AlphaEvolve to efficiently scale both in-context learning and Reinforcement Learning (RL) at test time, allowing models to continually learn from their experiences in improving open optimization problems. ThetaEvolve features a single LLM, a large program database for enhanced exploration, batch sampling for higher throughput, lazy penalties to discourage stagnant outputs, and optional reward shaping for stable training signals, etc. ThetaEvolve is the first evolving framework that enable a small open-source model, like DeepSeek-R1-0528-Qwen3-8B, to achieve new best-known bounds on open problems (circle packing and first auto-correlation inequality) mentioned in AlphaEvolve. Besides, across two models and four open tasks, we find that ThetaEvolve with RL at test-time consistently outperforms inference-only baselines, and the model indeed learns evolving capabilities, as the RL-trained checkpoints demonstrate faster progress and better final performance on both trained target task and other unseen tasks. We release our code publicly: https://github.com/ypwang61/ThetaEvolve
Authors: Jiacheng Guo, Zihao Li, Jiahao Qiu, Yue Wu, Mengdi Wang
Abstract: Direct Preference Optimization (DPO) has emerged as an important approach for learning from human preferences in aligning large language models (LLMs). However, collecting human preference data is costly and inefficient, motivating methods to reduce the required annotations. In this work, we investigate the impact of \emph{preference variance} (PVar), which measures the variance in model preferences when comparing pairs of responses, on the effectiveness of DPO training. We provide a theoretical insight by establishing an upper bound on the DPO gradient norm for any given prompt, showing it is controlled by the PVar of that prompt. This implies that prompts with low PVar can only produce small gradient updates, making them less valuable for learning. We validate this finding by fine-tuning LLMs with preferences generated by a reward model, evaluating on two benchmarks (AlpacaEval 2.0 and Arena-Hard). Experimental results demonstrate that prompts with higher PVar outperform randomly selected prompts or those with lower PVar. We also show that our PVar-based selection method is robust, when using smaller reward models (1B, 3B) for selection. Notably, in a separate experiment using the original human annotations from the UltraFeedback dataset, we found that training on only the top 10\% of prompts with the highest PVar yields better evaluation performance than training on the full dataset, highlighting the importance of preference variance in identifying informative examples for efficient LLM alignment.
Authors: Zhihao Zhan, Jiaying Zhou, Likui Zhang, Qinhan Lv, Hao Liu, Jusheng Zhang, Weizheng Li, Ziliang Chen, Tianshui Chen, Keze Wang, Liang Lin, Guangrun Wang
Abstract: Vision-Language-Action (VLA) models offer a unified framework for robotic manipulation by integrating visual perception, language understanding, and control generation. Yet existing VLA models still struggle to generalize across diverse tasks, scenes, and camera viewpoints, and often produce coarse or unstable actions. We introduce E0, a continuized discrete diffusion framework that formulates action generation as iterative denoising over quantized action tokens. Compared with continuous diffusion policies, E0 offers two key advantages: (1) discrete action tokens align naturally with the symbolic structure of pretrained VLM/VLA backbones, enabling stronger semantic conditioning; and 2. discrete diffusion matches the true quantized nature of real-world robot control-whose hardware constraints (e.g., encoder resolution, control frequency, actuation latency) inherently discretize continuous signals-and therefore benefits from a Bayes-optimal denoiser that models the correct discrete action distribution, leading to stronger generalization. Compared with discrete autoregressive and mask-based discrete diffusion models, E0 supports a significantly larger and finer-grained action vocabulary and avoids the distributional mismatch introduced by masking-based corruptions-yielding more accurate fine-grained action control. We further introduce a spherical viewpoint perturbation augmentation method to improve robustness to camera shifts without additional data. Experiments on LIBERO, VLABench, and ManiSkill show that E0 achieves state-of-the-art performance across 14 diverse environments, outperforming strong baselines by 10.7% on average. Real-world evaluation on a Franka arm confirms that E0 delivers precise, robust, and transferable manipulation, establishing discrete diffusion as a promising direction for generalizable VLA policy learning.
Authors: Chiung-Yi Tseng, Danyang Zhang, Tianyang Wang, Hongying Luo, Lu Chen, Junming Huang, Jibin Guan, Junfeng Hao, Junhao Song, Ziqian Bi
Abstract: The rapid advancement of large language models(LLMs) has prompted significant interest in their potential applications in medical domains. This paper presents a comprehensive benchmark evaluation of 27 state-of-the-art LLMs on Chinese medical examination questions, encompassing seven medical specialties across two professional levels. We introduce a robust evaluation framework that assesses model performance on 2,800 carefully curated questions from cardiovascular, gastroenterology, hematology, infectious diseases, nephrology, neurology, and respiratory medicine domains. Our dataset distinguishes between attending physician and senior physician difficulty levels, providing nuanced insights into model capabilities across varying complexity. Our empirical analysis reveals substantial performance variations among models, with Mixtral-8x7B achieving the highest overall accuracy of 74.25%, followed by DeepSeek-R1-671B at 64.07%. Notably, we observe no consistent correlation between model size and performance, as evidenced by the strong performance of smaller mixture-of-experts architectures. The evaluation demonstrates significant performance gaps between medical specialties, with models generally performing better on cardiovascular and neurology questions compared to gastroenterology and nephrology domains. Furthermore, our analysis indicates minimal performance degradation between attending and senior physician levels for top-performing models, suggesting robust generalization capabilities. This benchmark provides critical insights for the deployment of LLMs in medical education and clinical decision support systems, highlighting both the promise and current limitations of these technologies in specialized medical contexts.
Authors: Siyaxolisa Kabane
Abstract: We investigate the generalization properties of dense text embeddings when the embedding backbone is a large language model (LLM) versus when it is a non-LLM encoder, and we study the extent to which spherical linear interpolation (SLERP) model-merging mitigates over-specialization introduced by task-specific adaptation (e.g., LoRA). To make the comparison concrete and domain-agnostic, we design a controlled suite of experiments in which models embed short numerical sequences and are evaluated on their ability to cluster and classify those sequences according to well-defined number-theoretic properties. Our experimental protocol compares four families of models: (1) non-LLM encoders trained from scratch or fine-tuned for embeddings, (2) LLM-based encoders adapted with parameter-efficient methods (LoRA), (3) LLM-based encoders with LoRA followed by model souping merging into the base weights, and (4) the same LoRA-adapted LLMs merged using SLERP across checkpoints or stages. We evaluate representational quality with clustering indices (Silhouette and Davies Bouldin). We additionally analyze the use of kmeans labels to see if the embeddings encode any other information besides the one we are testing for. Empirically, we find that LLM-based backbones produce embeddings that better capture higher-order, compositional numeric patterns, but are prone to adapter dominance that degrades balanced generalization; SLERP merging consistently recovers base-model structure while retaining most task gains, yielding superior tradeoffs in clustering separability, and robustness compared to model souping or models that were not merged.
Authors: Fatima Kazi
Abstract: Large Language models (LLMs), such as ChatGPT, have gained popularity in recent years with the advancement of Natural Language Processing (NLP), with use cases spanning many disciplines and daily lives as well. LLMs inherit explicit and implicit biases from the datasets they were trained on; these biases can include social, ethical, cultural, religious, and other prejudices and stereotypes. It is important to comprehensively examine such shortcomings by identifying the existence and extent of such biases, recognizing the origin, and attempting to mitigate such biased outputs to ensure fair outputs to reduce harmful stereotypes and misinformation. This study inspects and highlights the need to address biases in LLMs amid growing generative Artificial Intelligence (AI). We utilize bias-specific benchmarks such StereoSet and CrowSPairs to evaluate the existence of various biases in many different generative models such as BERT, GPT 3.5, and ADA. To detect both explicit and implicit biases, we adopt a three-pronged approach for thorough and inclusive analysis. Results indicate fine-tuned models struggle with gender biases but excel at identifying and avoiding racial biases. Our findings also illustrated that despite some cases of success, LLMs often over-rely on keywords in prompts and its outputs. This demonstrates the incapability of LLMs to attempt to truly understand the accuracy and authenticity of its outputs. Finally, in an attempt to bolster model performance, we applied an enhancement learning strategy involving fine-tuning, models using different prompting techniques, and data augmentation of the bias benchmarks. We found fine-tuned models to exhibit promising adaptability during cross-dataset testing and significantly enhanced performance on implicit bias benchmarks, with performance gains of up to 20%.
Authors: Robert W. Batterman, James F. Woodward
Abstract: This paper argues that dataset structure is important in image recognition tasks (among other tasks). Specifically, we focus on the nature and genesis of correlational structure in the actual datasets upon which DNNs are trained. We argue that DNNs are implementing a widespread methodology in condensed matter physics and materials science that focuses on mesoscale correlation structures that live between fundamental atomic/molecular scales and continuum scales. Specifically, we argue that DNNs that are successful in image classification must be discovering high order correlation functions. It is well-known that DNNs successfully generalize in apparent contravention of standard statistical learning theory. We consider the implications of our discussion for this puzzle.
Authors: Gao Mo, Naveen Raman, Megan Chai, Cindy Peng, Shannon Pagdon, Nev Jones, Hong Shen, Peggy Swarbrick, Fei Fang
Abstract: Behavioral health conditions, which include mental health and substance use disorders, are the leading disease burden in the United States. Peer-run behavioral health organizations (PROs) critically assist individuals facing these conditions by combining mental health services with assistance for needs such as income, employment, and housing. However, limited funds and staffing make it difficult for PROs to address all service user needs. To assist peer providers at PROs with their day-to-day tasks, we introduce PeerCoPilot, a large language model (LLM)-powered assistant that helps peer providers create wellness plans, construct step-by-step goals, and locate organizational resources to support these goals. PeerCoPilot ensures information reliability through a retrieval-augmented generation pipeline backed by a large database of over 1,300 vetted resources. We conducted human evaluations with 15 peer providers and 6 service users and found that over 90% of users supported using PeerCoPilot. Moreover, we demonstrated that PeerCoPilot provides more reliable and specific information than a baseline LLM. PeerCoPilot is now used by a group of 5-10 peer providers at CSPNJ, a large behavioral health organization serving over 10,000 service users, and we are actively expanding PeerCoPilot's use.
Authors: Yicong Zheng, Kevin L. McKee, Thomas Miconi, Zacharie Bugaud, Mick van Gelderen, Jed McCaleb
Abstract: How to enable human-like long-term memory in large language models (LLMs) has been a central question for unlocking more general capabilities such as few-shot generalization. Existing memory frameworks and benchmarks focus on finding the optimal memory compression algorithm for higher performance in tasks that require recollection and sometimes further reasoning. However, such efforts have ended up building more human bias into the compression algorithm, through the search for the best prompts and memory architectures that suit specific benchmarks, rather than finding a general solution that would work on other data distributions. On the other hand, goal-directed search on uncompressed information could potentially exhibit superior performance because compression is lossy, and a predefined compression algorithm will not fit all raw data distributions. Here we present SUMER (Search in Uncompressed Memory via Experience Replay), an end-to-end reinforcement learning agent with verifiable reward (RLVR) that learns to use search tools to gather information and answer a target question. On the LoCoMo dataset for long-context conversation understanding, SUMER with Qwen2.5-7B-Instruct learned to use search tools and outperformed all other biased memory compression approaches and also the full-context baseline, reaching SOTA performance (43% gain over the prior best). We demonstrate that a simple search method applied to raw data outperforms goal-agnostic and biased compression algorithms in current long-context memory tasks, arguing for new paradigms and benchmarks that are more dynamic and autonomously scalable. Code for SUMER and all implemented baselines is publicly available at https://github.com/zycyc/SUMER.
Authors: Lin Yu, Xiaofei Han, Yifei Kang, Chiung-Yi Tseng, Danyang Zhang, Ziqian Bi, Zhimo Han
Abstract: Recent advances in large language models (LLMs) have enabled fluent dialogue systems, but most remain reactive and struggle in emotionally rich, goal-oriented settings such as marketing conversations. To address this limitation, we propose AffectMind, a multimodal affective dialogue agent that performs proactive reasoning and dynamic knowledge grounding to sustain emotionally aligned and persuasive interactions. AffectMind combines three components: a Proactive Knowledge Grounding Network (PKGN) that continuously updates factual and affective context from text, vision, and prosody; an Emotion--Intent Alignment Model (EIAM) that jointly models user emotion and purchase intent to adapt persuasion strategies; and a Reinforced Discourse Loop (RDL) that optimizes emotional coherence and engagement via reinforcement signals from user responses. Experiments on two newly curated marketing dialogue datasets, MM-ConvMarket and AffectPromo, show that AffectMind outperforms strong LLM-based baselines in emotional consistency (+26\%), persuasive success rate (+19\%), and long-term user engagement (+23\%), highlighting emotion-grounded proactivity as a key capability for commercial multimodal agents.
Authors: Ishant Kohar, Aswanth Krishnan
Abstract: Current AI agents excel in familiar settings, but fail sharply when faced with novel tasks with unseen vocabularies -- a core limitation of procedural memory systems. We present the first benchmark that isolates procedural memory retrieval from task execution, evaluating whether agents can recognize functionally equivalent procedures that span different object instantiations. Using ALFWorld, we construct dual corpora of expert and LLM-generated trajectories and evaluate six retrieval methods using systematically stratified queries. Our results expose a clear generalization cliff: embedding-based methods perform strongly on familiar contexts, yet degrade considerably on novel ones, while LLM-generated procedural abstractions demonstrate reliable cross-context transfer. Controlled ablations show that although embeddings capture some lexical-level abstraction, they fundamentally treat procedures as unordered bags of words, discarding temporal structure necessary for cross-context transfer. Corpus scale delivers far larger gains than representation enrichment, revealing an architectural ceiling in current encoders. Our benchmark offers the first diagnostic framework separating genuine procedural understanding from surface-level memorization and gives tools for developing retrieval systems capable of dependable generalization. Resources available at our GitHub repository (https://github.com/qpiai/Proced_mem_bench).
Authors: Conrad D. Hougen, Karl T. Pazdernik, Alfred O. Hero
Abstract: Interpretable topic modeling is essential for tracking how research interests evolve within co-author communities. In scientific corpora, where novelty is prized, identifying underrepresented niche topics is particularly important. However, contemporary models built from dense transformer embeddings tend to miss rare topics and therefore also fail to capture smooth temporal alignment. We propose a geometric method that integrates multimodal text and co-author network data, using Hellinger distances and Ward's linkage to construct a hierarchical topic dendrogram. This approach captures both local and global structure, supporting multiscale learning across semantic and temporal dimensions. Our method effectively identifies rare-topic structure and visualizes smooth topic drift over time. Experiments highlight the strength of interpretable bag-of-words models when paired with principled geometric alignment.
Authors: Yinqi Zeng, Renjie Li
Abstract: The discovery of next-generation photoinitiators for two-photon polymerization (TPP) is hindered by the absence of large, open datasets containing the quantum-chemical and photophysical properties required to model photodissociation and excited-state behavior. Existing molecular datasets typically provide only basic physicochemical descriptors and therefore cannot support data-driven screening or AI-assisted design of photoinitiators. To address this gap, we introduce QuantumChem-200K, a large-scale dataset of over 200,000 organic molecules annotated with eleven quantum-chemical properties, including two-photon absorption (TPA) cross sections, TPA spectral ranges, singlet-triplet intersystem crossing (ISC) energies, toxicity and synthetic accessibility scores, hydrophilicity, solubility, boiling point, molecular weight, and aromaticity. These values are computed using a hybrid workflow that integrates density function theory (DFT), semi-empirical excited-state methods, atomistic quantum solvers, and neural-network predictors. Using QuantumChem-200K, we fine tune the open-source Qwen2.5-32B large language model to create a chemistry AI assistant capable of forward property prediction from SMILES. Benchmarking on 3000 unseen molecules from VQM24 and ZINC20 demonstrates that domain-specific fine-tuning significantly improves accuracy over GPT-4o, Llama-3.1-70B, and the base Qwen2.5-32B model, particularly for TPA and ISC predictions central to photoinitiator design. QuantumChem-200K and the corresponding AI assistant together provide the first scalable platform for high-throughput, LLM-driven photoinitiator screening and accelerated discovery of photosensitive materials.
Authors: Linye Wei, Wenjue Chen, Pingzhi Tang, Xiaotian Guo, Le Ye, Runsheng Wang, Meng Li
Abstract: Diffusion-based large language models (dLLMs) have recently gained significant attention for their exceptional performance and inherent potential for parallel decoding. Existing frameworks further enhance its inference efficiency by enabling KV caching. However, its bidirectional attention mechanism necessitates periodic cache refreshes that interleave prefill and decoding phases, both contributing substantial inference cost and constraining achievable speedup. Inspired by the heterogeneous arithmetic intensity of the prefill and decoding phases, we propose ODB-dLLM, a framework that orchestrates dual-boundaries to accelerate dLLM inference. In the prefill phase, we find that the predefined fixed response length introduces heavy yet redundant computational overhead, which affects efficiency. To alleviate this, ODB-dLLM incorporates an adaptive length prediction mechanism that progressively reduces prefill overhead and unnecessary computation. In the decoding phase, we analyze the computational characteristics of dLLMs and propose a dLLM-specific jump-share speculative decoding method to enhance efficiency by reducing the number of decoding iterations. Experimental results demonstrate that ODB-dLLM achieves 46-162x and 2.63-6.30x speedups over the baseline dLLM and Fast-dLLM, respectively, while simultaneously mitigating the accuracy degradation in existing acceleration frameworks.
Authors: Luke Rimmo Lego, Samantha Gauthier, Denver Jn. Baptiste
Abstract: Research increasingly relies on computational methods to analyze experimental data and predict molecular properties. Current approaches often require researchers to use a variety of tools for statistical analysis and machine learning, creating workflow inefficiencies. We present an integrated platform that combines classical statistical methods with Random Forest classification for comprehensive data analysis that can be used in the biological sciences. The platform implements automated hyperparameter optimization, feature importance analysis, and a suite of statistical tests including t tests, ANOVA, and Pearson correlation analysis. Our methodology addresses the gap between traditional statistical software, modern machine learning frameworks and biology, by providing a unified interface accessible to researchers without extensive programming experience. The system achieves this through automatic data preprocessing, categorical encoding, and adaptive model configuration based on dataset characteristics. Initial testing protocols are designed to evaluate classification accuracy across diverse chemical datasets with varying feature distributions. This work demonstrates that integrating statistical rigor with machine learning interpretability can accelerate biological discovery workflows while maintaining methodological soundness. The platform's modular architecture enables future extensions to additional machine learning algorithms and statistical procedures relevant to bioinformatics.
Authors: Gauri Pradhan, Joonas J\"alk\"o, Santiago Zanella-B\`eguelin, Antti Honkela
Abstract: Training machine learning models with differential privacy (DP) limits an adversary's ability to infer sensitive information about the training data. It can be interpreted as a bound on adversary's capability to distinguish two adjacent datasets according to chosen adjacency relation. In practice, most DP implementations use the add/remove adjacency relation, where two datasets are adjacent if one can be obtained from the other by adding or removing a single record, thereby protecting membership. In many ML applications, however, the goal is to protect attributes of individual records (e.g., labels used in supervised fine-tuning). We show that privacy accounting under add/remove overstates attribute privacy compared to accounting under the substitute adjacency relation, which permits substituting one record. To demonstrate this gap, we develop novel attacks to audit DP under substitute adjacency, and show empirically that audit results are inconsistent with DP guarantees reported under add/remove, yet remain consistent with the budget accounted under the substitute adjacency relation. Our results highlight that the choice of adjacency when reporting DP guarantees is critical when the protection target is per-record attributes rather than membership.
Authors: Sarina Xi, Vishisht Rao, Justin Payan, Nihar B. Shah
Abstract: The identification and localization of errors is a core task in peer review, yet the exponential growth of scientific output has made it increasingly difficult for human reviewers to reliably detect errors given the limited pool of experts. Recent advances in Large Language Models (LLMs) have sparked interest in their potential to support such evaluation tasks, from academic peer review to automated scientific assessment. However, despite the growing use of LLMs in review systems, their capabilities to pinpoint errors remain underexplored. In this work, we introduce Fault Localization Across Writing in Science (FLAWS), an automated benchmark consisting of 713 paper-error pairs designed to evaluate how effectively LLMs detect errors that undermine key claims in research papers. We construct the benchmark by systematically inserting claim-invalidating errors into peer-reviewed papers using LLMs, paired with an automated evaluation metric that measures whether models can identify and localize these errors. Developing such a benchmark presents unique challenges that we overcome: ensuring that the inserted errors are well-defined, challenging, and relevant to the content of the paper, avoiding artifacts that would make identification trivial, and designing a scalable, automated evaluation metric. On the resulting benchmark, we evaluate five frontier LLMs: Claude Sonnet 4.5, DeepSeek Reasoner v3.1, Gemini 2.5 Pro, GPT 5, and Grok 4. Among these, GPT 5 is the top-performing model, achieving 39.1% identification accuracy when k=10, where k is the number of top-ranked error text candidates generated by the LLM.
Authors: Amit Jena, Na Li, Le Xie
Abstract: System identification in control theory aims to approximate dynamical systems from trajectory data. While neural networks have demonstrated strong predictive accuracy, they often fail to preserve critical physical properties such as stability and typically assume stationary dynamics, limiting their applicability under distribution shifts. Existing approaches generally address either stability or adaptability in isolation, lacking a unified framework that ensures both. We propose LILAD (Learning In-Context Lyapunov-stable Adaptive Dynamics), a novel framework for system identification that jointly guarantees adaptability and stability. LILAD simultaneously learns a dynamics model and a Lyapunov function through in-context learning (ICL), explicitly accounting for parametric uncertainty. Trained across a diverse set of tasks, LILAD produces a stability-aware, adaptive dynamics model alongside an adaptive Lyapunov certificate. At test time, both components adapt to a new system instance using a short trajectory prompt, which enables fast generalization. To rigorously ensure stability, LILAD also computes a state-dependent attenuator that enforces a sufficient decrease condition on the Lyapunov function for any state in the new system instance. This mechanism extends stability guarantees even under out-of-distribution and out-of-task scenarios. We evaluate LILAD on benchmark autonomous systems and demonstrate that it outperforms adaptive, robust, and non-adaptive baselines in predictive accuracy.
Authors: Eric Yeats, Darryl Hannan, Wilson Fearn, Timothy Doster, Henry Kvinge, Scott Mahan
Abstract: Score-based generative models require guidance in order to generate plausible, on-manifold samples. The most popular guidance method, Classifier-Free Guidance (CFG), is only applicable in settings with labeled data and requires training an additional unconditional score-based model. More recently, Auto-Guidance adopts a smaller, less capable version of the original model to guide generation. While each method effectively promotes the fidelity of generated data, each requires labeled data or the training of additional models, making it challenging to guide score-based models when (labeled) training data are not available or training new models is not feasible. We make the surprising discovery that the positive curvature of log density estimates in saddle regions provides strong guidance for score-based models. Motivated by this, we develop saddle-free guidance (SFG) which maintains estimates of maximal positive curvature of the log density to guide individual score-based models. SFG has the same computational cost of classifier-free guidance, does not require additional training, and works with off-the-shelf diffusion and flow matching models. Our experiments indicate that SFG achieves state-of-the-art FID and FD-DINOv2 metrics in single-model unconditional ImageNet-512 generation. When SFG is combined with Auto-Guidance, its unconditional samples achieve general state-of-the-art in FD-DINOv2 score. Our experiments with FLUX.1-dev and Stable Diffusion v3.5 indicate that SFG boosts the diversity of output images compared to CFG while maintaining excellent prompt adherence and image fidelity.
Authors: Diego Vallarino
Abstract: This paper examines how institutional belonging shapes long-term development by comparing Spain and Uruguay, two small democracies with similar historical endowments whose trajectories diverged sharply after the 1960s. While Spain integrated into dense European institutional architectures, Uruguay remained embedded within the Latin American governance regime, characterized by weaker coordination and lower institutional coherence. To assess how alternative institutional embeddings could have altered these paths, the study develops a generative counterfactual framework grounded in economic complexity, institutional path dependence, and a Wasserstein GAN trained on data from 1960-2020. The resulting Expected Developmental Shift (EDS) quantifies structural gains or losses from hypothetical re-embedding in different institutional ecosystems. Counterfactual simulations indicate that Spain would have experienced significant developmental decline under a Latin American configuration, while Uruguay would have achieved higher complexity and resilience within a European regime. These findings suggest that development is not solely determined by domestic reforms but emerges from a country's structural position within transnational institutional networks.
Authors: Bruno Padovese, Fabio Frazao, Michael Dowd, Ruth Joy
Abstract: Automated detection and classification of marine mammals vocalizations is critical for conservation and management efforts but is hindered by limited annotated datasets and the acoustic complexity of real-world marine environments. Data augmentation has proven to be an effective strategy to address this limitation by increasing dataset diversity and improving model generalization without requiring additional field data. However, most augmentation techniques used to date rely on effective but relatively simple transformations, leaving open the question of whether deep generative models can provide additional benefits. In this study, we evaluate the potential of deep generative for data augmentation in marine mammal call detection including: Variational Autoencoders, Generative Adversarial Networks, and Denoising Diffusion Probabilistic Models. Using Southern Resident Killer Whale (Orcinus orca) vocalizations from two long-term hydrophone deployments in the Salish Sea, we compare these approaches against traditional augmentation methods such as time-shifting and vocalization masking. While all generative approaches improved classification performance relative to the baseline, diffusion-based augmentation yielded the highest recall (0.87) and overall F1-score (0.75). A hybrid strategy combining generative-based synthesis with traditional methods achieved the best overall performance with an F1-score of 0.81. We hope this study encourages further exploration of deep generative models as complementary augmentation strategies to advance acoustic monitoring of threatened marine mammal populations.
Authors: Guy Blanc, William Pires, Toniann Pitassi
Abstract: Differential privacy (DP) is the de facto notion of privacy both in theory and in practice. However, despite its popularity, DP imposes strict requirements which guard against strong worst-case scenarios. For example, it guards against seemingly unrealistic scenarios where an attacker has full information about all but one point in the data set, and still nothing can be learned about the remaining point. While preventing such a strong attack is desirable, many works have explored whether average-case relaxations of DP are easier to satisfy [HWR13,WLF16,BF16,LWX23]. In this work, we are motivated by the question of whether alternate, weaker notions of privacy are possible: can a weakened privacy notion still guarantee some basic level of privacy, and on the other hand, achieve privacy more efficiently and/or for a substantially broader set of tasks? Our main result shows the answer is no: even in the statistical setting, any reasonable measure of privacy satisfying nontrivial composition is equivalent to DP. To prove this, we identify a core set of four axioms or desiderata: pre-processing invariance, prohibition of blatant non-privacy, strong composition, and linear scalability. Our main theorem shows that any privacy measure satisfying our axioms is equivalent to DP, up to polynomial factors in sample complexity. We complement this result by showing our axioms are minimal: removing any one of our axioms enables ill-behaved measures of privacy.
Authors: Dimitris Bertsimas, Caio de Prospero Iglesias, Nicholas A. G. Johnson
Abstract: We study Sparse Multiple Kernel Learning (SMKL), which is the problem of selecting a sparse convex combination of prespecified kernels for support vector binary classification. Unlike prevailing l1 regularized approaches that approximate a sparsifying penalty, we formulate the problem by imposing an explicit cardinality constraint on the kernel weights and add an l2 penalty for robustness. We solve the resulting non-convex minimax problem via an alternating best response algorithm with two subproblems: the alpha subproblem is a standard kernel SVM dual solved via LIBSVM, while the beta subproblem admits an efficient solution via the Greedy Selector and Simplex Projector algorithm. We reformulate SMKL as a mixed integer semidefinite optimization problem and derive a hierarchy of semidefinite convex relaxations which can be used to certify near-optimality of the solutions returned by our best response algorithm and also to warm start it. On ten UCI benchmarks, our method with random initialization outperforms state-of-the-art MKL approaches in out-of-sample prediction accuracy on average by 3.34 percentage points (relative to the best performing benchmark) while selecting a small number of candidate kernels in comparable runtime. With warm starting, our method outperforms the best performing benchmark's out-of-sample prediction accuracy on average by 4.05 percentage points. Our convex relaxations provide a certificate that in several cases, the solution returned by our best response algorithm is the globally optimal solution.
Authors: Cecilia G. Morales, Fanurs Chi En Teh, Kai Li, Pushpak Agrawal, Artur Dubrawski
Abstract: Remote photoplethysmography (rPPG) enables contactless vital sign monitoring using standard RGB cameras. However, existing methods rely on fixed parameters optimized for particular lighting conditions and camera setups, limiting adaptability to diverse deployment environments. This paper introduces the Projection-based Robust Signal Mixing (PRISM) algorithm, a training-free method that jointly optimizes photometric detrending and color mixing through online parameter adaptation based on signal quality assessment. PRISM achieves state-of-the-art performance among unsupervised methods, with MAE of 0.77 bpm on PURE and 0.66 bpm on UBFC-rPPG, and accuracy of 97.3\% and 97.5\% respectively at a 5 bpm threshold. Statistical analysis confirms PRISM performs equivalently to leading supervised methods ($p > 0.2$), while maintaining real-time CPU performance without training. This validates that adaptive time series optimization significantly improves rPPG across diverse conditions.
Authors: Aleksei G. Sorokin
Abstract: Most scientific domains elicit the development of efficient algorithms and accessible scientific software. This thesis unifies our developments in three broad domains: Quasi-Monte Carlo (QMC) methods for efficient high-dimensional integration, Gaussian process (GP) regression for high-dimensional interpolation with built-in uncertainty quantification, and scientific machine learning (sciML) for modeling partial differential equations (PDEs) with mesh-free solvers. For QMC, we built new algorithms for vectorized error estimation and developed QMCPy (https://qmcsoftware.github.io/QMCSoftware/): an open-source Python interface to randomized low-discrepancy sequence generators, automatic variable transforms, adaptive error estimation procedures, and diverse use cases. For GPs, we derived new digitally-shift-invariant kernels of higher-order smoothness, developed novel fast multitask GP algorithms, and produced the scalable Python software FastGPs (https://alegresor.github.io/fastgps/). For sciML, we developed a new algorithm capable of machine precision recovery of PDEs with random coefficients. We have also studied a number of applications including GPs for probability of failure estimation, multilevel GPs for the Darcy flow equation, neural surrogates for modeling radiative transfer, and fast GPs for Bayesian multilevel QMC.
URLs: https://qmcsoftware.github.io/QMCSoftware/):, https://alegresor.github.io/fastgps/).
Authors: Shilong Xiang, JangHyeon Lee, Min Namgung, Yao-Yi Chiang
Abstract: Urban walkability is a cornerstone of public health, sustainability, and quality of life. Traditional walkability assessments rely on surveys and field audits, which are costly and difficult to scale. Recent studies have used satellite imagery, street view imagery, or population indicators to estimate walkability, but these single-source approaches capture only one dimension of the walking environment. Satellite data describe the built environment from above, but overlook the pedestrian perspective. Street view imagery captures conditions at the ground level, but lacks broader spatial context. Population dynamics reveal patterns of human activity but not the visual form of the environment. We introduce WalkCLIP, a multimodal framework that integrates these complementary viewpoints to predict urban walkability. WalkCLIP learns walkability-aware vision-language representations from GPT-4o generated image captions, refines these representations with a spatial aggregation module that incorporates neighborhood context, and fuses the resulting features with representations from a population dynamics foundation model. Evaluated at 4,660 locations throughout Minneapolis-Saint Paul, WalkCLIP outperforms unimodal and multimodal baselines in both predictive accuracy and spatial alignment. These results show that the integration of visual and behavioral signals yields reliable predictions of the walking environment.
Authors: Walid Houmaidi, Mohamed Hadadi, Youssef Sabiri, Yousra Chtouki
Abstract: This paper presents a comprehensive comparative model analysis on a novel gastrointestinal medical imaging dataset, comprised of 4,000 endoscopic images spanning four critical disease classes: Diverticulosis, Neoplasm, Peritonitis, and Ureters. Leveraging state-of-the-art deep learning techniques, the study confronts common endoscopic challenges such as variable lighting, fluctuating camera angles, and frequent imaging artifacts. The best performing models, VGG16 and MobileNetV2, each achieved a test accuracy of 96.5%, while Xception reached 94.24%, establishing robust benchmarks and baselines for automated disease classification. In addition to strong classification performance, the approach includes explainable AI via Grad-CAM visualization, enabling identification of image regions most influential to model predictions and enhancing clinical interpretability. Experimental results demonstrate the potential for robust, accurate, and interpretable medical image analysis even in complex real-world conditions. This work contributes original benchmarks, comparative insights, and visual explanations, advancing the landscape of gastrointestinal computer-aided diagnosis and underscoring the importance of diverse, clinically relevant datasets and model explainability in medical AI research.
Authors: Alif Ilham Madani, Riska A. Kuswati, Alex M. Lechner, Muhamad Risqi U. Saputra
Abstract: Digital Elevation Models (DEMs) are vital datasets for geospatial applications such as hydrological modeling and environmental monitoring. However, conventional methods to generate DEM, such as using LiDAR and photogrammetry, require specific types of data that are often inaccessible in resource-constrained settings. To alleviate this problem, this study proposes an approach to generate DEM from freely available RGB satellite imagery using generative deep learning, particularly based on a conditional Generative Adversarial Network (GAN). We first developed a global dataset consisting of 12K RGB-DEM pairs using Landsat satellite imagery and NASA's SRTM digital elevation data, both from the year 2000. A unique preprocessing pipeline was implemented to select high-quality, cloud-free regions and aggregate normalized RGB composites from Landsat imagery. Additionally, the model was trained in a two-stage process, where it was first trained on the complete dataset and then fine-tuned on high-quality samples filtered by Structural Similarity Index Measure (SSIM) values to improve performance on challenging terrains. The results demonstrate promising performance in mountainous regions, achieving an overall mean root-mean-square error (RMSE) of 0.4671 and a mean SSIM score of 0.2065 (scale -1 to 1), while highlighting limitations in lowland and residential areas. This study underscores the importance of meticulous preprocessing and iterative refinement in generative modeling for DEM generation, offering a cost-effective and adaptive alternative to conventional methods while emphasizing the challenge of generalization across diverse terrains worldwide.
Authors: Yuanzhe Ma, Hongseok Namkoong
Abstract: Limited overlap between treated and control groups is a key challenge in observational analysis. Standard approaches like trimming importance weights can reduce variance but introduce a fundamental bias. We propose a sensitivity framework for contextualizing findings under limited overlap, where we assess how irregular the outcome function has to be in order for the main finding to be invalidated. Our approach is based on worst-case confidence bounds on the bias introduced by standard trimming practices, under explicit assumptions necessary to extrapolate counterfactual estimates from regions of overlap to those without. Empirically, we demonstrate how our sensitivity framework protects against spurious findings by quantifying uncertainty in regions with limited overlap.
Authors: Eliot Wong-Toi, Alex Boyd, Vincent Fortuin, Stephan Mandt
Abstract: Uncertainty quantification is vital for decision-making and risk assessment in machine learning. Mean-variance regression models, which predict both a mean and residual noise for each data point, provide a simple approach to uncertainty quantification. However, overparameterized mean-variance models struggle with signal-to-noise ambiguity, deciding whether prediction targets should be attributed to signal (mean) or noise (variance). At one extreme, models fit all training targets perfectly with zero residual noise, while at the other, they provide constant, uninformative predictions and explain the targets as noise. We observe a sharp phase transition between these extremes, driven by model regularization. Empirical studies with varying regularization levels illustrate this transition, revealing substantial variability across repeated runs. To explain this behavior, we develop a statistical field theory framework, which captures the observed phase transition in alignment with experimental results. This analysis reduces the regularization hyperparameter search space from two dimensions to one, significantly lowering computational costs. Experiments on UCI datasets and the large-scale ClimSim dataset demonstrate robust calibration performance, effectively quantifying predictive uncertainty.
Authors: Yann Le Beux, Oluchi Audu, Oche D. Ankeli, Dhananjay Balakrishnan, Melissah Weya, Marie D. Ralaiarinosy, Ignatius Ezeani
Abstract: Existing AI bias evaluation benchmarks largely reflect Western perspectives, leaving African contexts underrepresented and enabling harmful stereotypes in applications across various domains. To address this gap, we introduce AfriStereo, the first open-source African stereotype dataset and evaluation framework grounded in local socio-cultural contexts. Through community engaged efforts across Senegal, Kenya, and Nigeria, we collected 1,163 stereotypes spanning gender, ethnicity, religion, age, and profession. Using few-shot prompting with human-in-the-loop validation, we augmented the dataset to over 5,000 stereotype-antistereotype pairs. Entries were validated through semantic clustering and manual annotation by culturally informed reviewers. Preliminary evaluation of language models reveals that nine of eleven models exhibit statistically significant bias, with Bias Preference Ratios (BPR) ranging from 0.63 to 0.78 (p <= 0.05), indicating systematic preferences for stereotypes over antistereotypes, particularly across age, profession, and gender dimensions. Domain-specific models appeared to show weaker bias in our setup, suggesting task-specific training may mitigate some associations. Looking ahead, AfriStereo opens pathways for future research on culturally grounded bias evaluation and mitigation, offering key methodologies for the AI community on building more equitable, context-aware, and globally inclusive NLP technologies.
Authors: Jingjun Xu, Chongshan Lin, Haofei Yu, Tao Feng, Jiaxuan You
Abstract: Academic research generates diverse data sources, and as researchers increasingly use machine learning to assist research tasks, a crucial question arises: Can we build a unified data interface to support the development of machine learning models for various academic tasks? Models trained on such a unified interface can better support human researchers throughout the research process, eventually accelerating knowledge discovery. In this work, we introduce ResearchArcade, a graph-based interface that connects multiple academic data sources, unifies task definitions, and supports a wide range of base models to address key academic challenges. ResearchArcade utilizes a coherent multi-table format with graph structures to organize data from different sources, including academic corpora from ArXiv and peer reviews from OpenReview, while capturing information with multiple modalities, such as text, figures, and tables. ResearchArcade also preserves temporal evolution at both the manuscript and community levels, supporting the study of paper revisions as well as broader research trends over time. Additionally, ResearchArcade unifies diverse academic task definitions and supports various models with distinct input requirements. Our experiments across six academic tasks demonstrate that combining cross-source and multi-modal information enables a broader range of tasks, while incorporating graph structures consistently improves performance over baseline methods. This highlights the effectiveness of ResearchArcade and its potential to advance research progress.
Authors: Shibo Diao
Abstract: Support vector machines are widely used in machine learning classification tasks, but traditional SVM models suffer from sensitivity to outliers and instability in resampling, which limits their performance in practical applications. To address these issues, this paper proposes a novel rescaled Huberized pinball loss function with asymmetric, non-convex, and smooth properties. Based on this loss function, we develop a corresponding SVM model called RHPSVM (Rescaled Huberized Pinball Loss Support Vector Machine). Theoretical analyses demonstrate that RHPSVM conforms to Bayesian rules, has a strict generalization error bound, a bounded influence function, and controllable optimality conditions, ensuring excellent classification accuracy, outlier insensitivity, and resampling stability. Additionally, RHPSVM can be extended to various advanced SVM variants by adjusting parameters, enhancing its flexibility. We transform the non-convex optimization problem of RHPSVM into a series of convex subproblems using the concave-convex procedure (CCCP) and solve it with the ClipDCD algorithm, which is proven to be convergent. Experimental results on simulated data, UCI datasets, and small-sample crop leaf image classification tasks show that RHPSVM outperforms existing SVM models in both noisy and noise-free scenarios, especially in handling high-dimensional small-sample data.
Authors: Simon Joseph Cl\'ement Cr\^ete, Marta Kersten-Oertel, Yiming Xiao
Abstract: MRI-based brain age estimation models aim to assess a subject's biological brain age based on information, such as neuroanatomical features. Various factors, including neurodegenerative diseases, can accelerate brain aging and measuring this phenomena could serve as a potential biomarker for clinical applications. While deep learning (DL)-based regression has recently attracted major attention, existing approaches often fail to capture the continuous nature of neuromorphological changes, potentially resulting in sub-optimal feature representation and results. To address this, we propose to use supervised contrastive learning with the recent Rank-N-Contrast (RNC) loss to estimate brain age based on widely used T1w structural MRI for the first time and leverage Grad-RAM to visually explain regression results. Experiments show that our proposed method achieves a mean absolute error (MAE) of 4.27 years and an $R^2$ of 0.93 with a limited dataset of training samples, significantly outperforming conventional deep regression with the same ResNet backbone while performing better or comparably with the state-of-the-art methods with significantly larger training data. Furthermore, Grad-RAM revealed more nuanced features related to age regression with the RNC loss than conventional deep regression. As an exploratory study, we employed the proposed method to estimate the gap between the biological and chronological brain ages in Alzheimer's Disease and Parkinson's disease patients, and revealed the correlation between the brain age gap and disease severity, demonstrating its potential as a biomarker in neurodegenerative disorders.
Authors: Xilin Yang, Musa Aydin, Yuhong Lu, Sahan Yoruc Selcuk, Bijie Bai, Yijie Zhang, Andrew Birkeland, Katjana Ehrlich, Julien Bec, Laura Marcu, Nir Pillar, Aydogan Ozcan
Abstract: Assessing resection margins is central to pathological specimen evaluation and has profound implications for patient outcomes. Current practice employs physical inking, which is applied variably, and cautery artifacts can obscure the true margin on histological sections. We present a virtual inking network (VIN) that autonomously localizes the surgical cut surface on whole-slide images, reducing reliance on inks and standardizing margin-focused review. VIN uses a frozen foundation model as the feature extractor and a compact two-layer multilayer perceptron trained for patch-level classification of cautery-consistent features. The dataset comprised 120 hematoxylin and eosin (H&E) stained slides from 12 human tonsil tissue blocks, resulting in ~2 TB of uncompressed raw image data, where a board-certified pathologist provided boundary annotations. In blind testing with 20 slides from previously unseen blocks, VIN produced coherent margin overlays that qualitatively aligned with expert annotations across serial sections. Quantitatively, region-level accuracy was ~73.3% across the test set, with errors largely confined to limited areas that did not disrupt continuity of the whole-slide margin map. These results indicate that VIN captures cautery-related histomorphology and can provide a reproducible, ink-free margin delineation suitable for integration into routine digital pathology workflows and for downstream measurement of margin distances.
Authors: Adarsh Gupta, Japleen Kaur, Tanvi Doshi, Teena Sharma, Nishchal K. Verma, Shantaram Vasikarla
Abstract: Knee Osteoarthritis (KOA) is a musculoskeletal condition that can cause significant limitations and impairments in daily activities, especially among older individuals. To evaluate the severity of KOA, typically, X-ray images of the affected knee are analyzed, and a grade is assigned based on the Kellgren-Lawrence (KL) grading system, which classifies KOA severity into five levels, ranging from 0 to 4. This approach requires a high level of expertise and time and is susceptible to subjective interpretation, thereby introducing potential diagnostic inaccuracies. To address this problem a stacked ensemble model of fine-tuned Convolutional Neural Networks (CNNs) was developed for two classification tasks: a binary classifier for detecting the presence of KOA, and a multiclass classifier for precise grading across the KL spectrum. The proposed stacked ensemble model consists of a diverse set of pre-trained architectures, including MobileNetV2, You Only Look Once (YOLOv8), and DenseNet201 as base learners and Categorical Boosting (CatBoost) as the meta-learner. This proposed model had a balanced test accuracy of 73% in multiclass classification and 87.5% in binary classification, which is higher than previous works in extant literature.
Authors: Hao Wang, Yingshuo Wang, Junang Gan, Yanan Cheng, Jinshuai Zhang
Abstract: Online pornography and gambling have consistently posed regulatory challenges for governments, threatening both personal assets and privacy. Therefore, it is imperative to research the classification of the newly registered Pornographic and Gambling Domain Names (PGDN). However, scholarly investigation into this topic is limited. Previous efforts in PGDN classification pursue high accuracy using ideal sample data, while others employ up-to-date data from real-world scenarios but achieve lower classification accuracy. This paper introduces the Real-PGDN method, which accomplishes a complete process of timely and comprehensive real-data crawling, feature extraction with feature-missing tolerance, precise PGDN classification, and assessment of application effects in actual scenarios. Our two-level classifier, which integrates CoSENT (BERT-based), Multilayer Perceptron (MLP), and traditional classification algorithms, achieves a 97.88% precision. The research process amasses the NRD2024 dataset, which contains continuous detection information over 20 days for 1,500,000 newly registered domain names across 6 directions. Results from our case study demonstrate that this method also maintains a forecast precision of over 70% for PGDN that are delayed in usage after registration.
Authors: Josef Bengtson, David Nilsson, Dong In Lee, Fredrik Kahl
Abstract: Recent advancements in diffusion models have greatly improved text-based image editing, yet methods that edit images independently often produce geometrically and photometrically inconsistent results across different views of the same scene. Such inconsistencies are particularly problematic for editing of 3D representations such as NeRFs or Gaussian Splat models. We propose a training-free diffusion framework that enforces multi-view consistency during the image editing process. The key assumption is that corresponding points in the unedited images should undergo similar transformations after editing. To achieve this, we introduce a consistency loss that guides the diffusion sampling toward coherent edits. The framework is flexible and can be combined with widely varying image editing methods, supporting both dense and sparse multi-view editing setups. Experimental results show that our approach significantly improves 3D consistency compared to existing multi-view editing methods. We also show that this increased consistency enables high-quality Gaussian Splat editing with sharp details and strong fidelity to user-specified text prompts. Please refer to our project page for video results: https://3d-consistent-editing.github.io/
Authors: Zhongjie Shi, Puyu Wang, Chenyang Zhang, Yuan Cao
Abstract: Modern deep learning techniques focus on extracting intricate information from data to achieve accurate predictions. However, the training datasets may be crowdsourced and include sensitive information, such as personal contact details, financial data, and medical records. As a result, there is a growing emphasis on developing privacy-preserving training algorithms for neural networks that maintain good performance while preserving privacy. In this paper, we investigate the generalization and privacy performances of the differentially private gradient descent (DP-GD) algorithm, which is a private variant of the gradient descent (GD) by incorporating additional noise into the gradients during each iteration. Moreover, we identify a concrete learning task where DP-GD can achieve superior generalization performance compared to GD in training two-layer Huberized ReLU convolutional neural networks (CNNs). Specifically, we demonstrate that, under mild conditions, a small signal-to-noise ratio can result in GD producing training models with poor test accuracy, whereas DP-GD can yield training models with good test accuracy and privacy guarantees if the signal-to-noise ratio is not too small. This indicates that DP-GD has the potential to enhance model performance while ensuring privacy protection in certain learning tasks. Numerical simulations are further conducted to support our theoretical results.
Authors: Zaile Li, Weiwei Fan, L. Jeff Hong
Abstract: Selecting the best alternative from a finite set represents a broad class of pure exploration problems. Traditional approaches to pure exploration have predominantly relied on Gaussian or sub-Gaussian assumptions on the performance distributions of all alternatives, which limit their applicability to non-sub-Gaussian especially heavy-tailed problems. The need to move beyond sub-Gaussianity may become even more critical in large-scale problems, which tend to be especially sensitive to distributional specifications. In this paper, motivated by the widespread use of upper confidence bound (UCB) algorithms in pure exploration and beyond, we investigate their performance in the large-scale, non-sub-Gaussian settings. We consider the simplest category of UCB algorithms, where the UCB value for each alternative is defined as the sample mean plus an exploration bonus that depends only on its own sample size. We abstract this into a meta-UCB algorithm and propose letting it select the alternative with the largest sample size as the best upon stopping. For this meta-UCB algorithm, we first derive a distribution-free lower bound on the probability of correct selection. Building on this bound, we analyze two general non-sub-Gaussian scenarios: (1) all alternatives follow a common location-scale structure and have bounded variance; and (2) when such a structure does not hold, each alternative has a bounded absolute moment of order $q > 3$. In both settings, we show that the meta-UCB algorithm and therefore a broad class of UCB algorithms can achieve the sample optimality. These results demonstrate the applicability of UCB algorithms for solving large-scale pure exploration problems with non-sub-Gaussian distributions. Numerical experiments support our results and provide additional insights into the comparative behaviors of UCB algorithms within and beyond our meta-UCB framework.
Authors: Teysir Baoueb, Xiaoyu Bie, Mathieu Fontaine, Ga\"el Richard
Abstract: Recent advances in diffusion models have positioned them as powerful generative frameworks for speech synthesis, demonstrating substantial improvements in audio quality and stability. Nevertheless, their effectiveness in vocoders conditioned on mel spectrograms remains constrained, particularly when the conditioning diverges from the training distribution. The recently proposed GLA-Grad model introduced a phase-aware extension to the WaveGrad vocoder that integrated the Griffin-Lim algorithm (GLA) into the reverse process to reduce inconsistencies between generated signals and conditioning mel spectrogram. In this paper, we further improve GLA-Grad through an innovative choice in how to apply the correction. Particularly, we compute the correction term only once, with a single application of GLA, to accelerate the generation process. Experimental results demonstrate that our method consistently outperforms the baseline models, particularly in out-of-domain scenarios.
Authors: Sonia Laguna, Andrea Agostini, Alain Ryser, Samuel Ruiperez-Campillo, Irene Cannistraci, Moritz Vandenhirtz, Stephan Mandt, Nicolas Deperrois, Farhad Nooralahzadeh, Michael Krauthammer, Thomas M. Sutter, Julia E. Vogt
Abstract: Building robust medical machine learning systems requires pretraining strategies that exploit the intrinsic structure present in clinical data. We introduce Multiview Masked Autoencoder (MVMAE), a self-supervised framework that leverages the natural multi-view organization of radiology studies to learn view-invariant and disease-relevant representations. MVMAE combines masked image reconstruction with cross-view alignment, transforming clinical redundancy across projections into a powerful self-supervisory signal. We further extend this approach with MVMAE-V2T, which incorporates radiology reports as an auxiliary text-based learning signal to enhance semantic grounding while preserving fully vision-based inference. Evaluated on a downstream disease classification task on three large-scale public datasets, MIMIC-CXR, CheXpert, and PadChest, MVMAE consistently outperforms supervised and vision-language baselines. Furthermore, MVMAE-V2T provides additional gains, particularly in low-label regimes where structured textual supervision is most beneficial. Together, these results establish the importance of structural and textual supervision as complementary paths toward scalable, clinically grounded medical foundation models.
Authors: Javier Lopez-Santiago, Luca Martino, Joaquin Miguez, Gonzalo Vazquez-Vilar
Abstract: Bayesian computational strategies for inference can be inefficient in approximating the posterior distribution in models that exhibit some form of periodicity. This is because the probability mass of the marginal posterior distribution of the parameter representing the period is usually highly concentrated in a very small region of the parameter space. Therefore, it is necessary to provide as much information as possible to the inference method through the parameter prior distribution. We intend to show that it is possible to construct a prior distribution from the data by fitting a Gaussian process (GP) with a periodic kernel. More specifically, we want to show that it is possible to approximate the marginal posterior distribution of the hyperparameter corresponding to the period in the kernel. Subsequently, this distribution can be used as a prior distribution for the inference method. We use an adaptive importance sampling method to approximate the posterior distribution of the hyperparameters of the GP. Then, we use the marginal posterior distribution of the hyperparameter related to the periodicity in order to construct a prior distribution for the period of the parametric model. This workflow is empirical Bayes, implemented as a modular (cut) transfer of a GP posterior for the period to the parametric model. We applied the proposed methodology to both synthetic and real data. We approximated the posterior distribution of the period of the GP kernel and then passed it forward as a posterior-as-prior with no feedback. Finally, we analyzed its impact on the marginal posterior distribution.
Authors: Inhyo Lee, Junhyeong Lee, Jongwon Park, KyungTae Lim, Seunghwa Ryu
Abstract: Double perovskites (DPs) are promising candidates for sustainable energy technologies due to their compositional tunability and compatibility with low-energy fabrication, yet their vast design space poses a major challenge for conditional materials discovery. This work introduces a multi-agent, text gradient-driven framework that performs DP composition generation under natural-language conditions by integrating three complementary feedback sources: LLM-based self-evaluation, DP-specific domain knowledge-informed feedback, and ML surrogate-based feedback. Analogous to how knowledge-informed machine learning improves the reliability of conventional data-driven models, our framework incorporates domain-informed text gradients to guide the generative process toward physically meaningful regions of the DP composition space. Systematic comparison of three incremental configurations, (i) pure LLM generation, (ii) LLM generation with LLM reasoning-based feedback, and (iii) LLM generation with domain knowledge-guided feedback, shows that iterative guidance from knowledge-informed gradients improves stability-condition satisfaction without additional training data, achieving over 98% compositional validity and up to 54% stable or metastable candidates, surpassing both the LLM-only baseline (43%) and prior GAN-based results (27%). Analyses of ML-based gradients further reveal that they enhance performance in in-distribution (ID) regions but become unreliable in out-of-distribution (OOD) regimes. Overall, this work provides the first systematic analysis of multi-agent, knowledge-guided text gradients for DP discovery and establishes a generalizable blueprint for MAS-driven generative materials design aimed at advancing sustainable technologies.
Authors: Fiona Y. Wang, Di Sheng Lee, David L. Kaplan, Markus J. Buehler
Abstract: Designing proteins de novo with tailored structural, physicochemical, and functional properties remains a grand challenge in biotechnology, medicine, and materials science, due to the vastness of sequence space and the complex coupling between sequence, structure, and function. Current state-of-the-art generative methods, such as protein language models (PLMs) and diffusion-based architectures, often require extensive fine-tuning, task-specific data, or model reconfiguration to support objective-directed design, thereby limiting their flexibility and scalability. To overcome these limitations, we present a decentralized, agent-based framework inspired by swarm intelligence for de novo protein design. In this approach, multiple large language model (LLM) agents operate in parallel, each assigned to a specific residue position. These agents iteratively propose context-aware mutations by integrating design objectives, local neighborhood interactions, and memory and feedback from previous iterations. This position-wise, decentralized coordination enables emergent design of diverse, well-defined sequences without reliance on motif scaffolds or multiple sequence alignments, validated with experiments on proteins with alpha helix and coil structures. Through analyses of residue conservation, structure-based metrics, and sequence convergence and embeddings, we demonstrate that the framework exhibits emergent behaviors and effective navigation of the protein fitness landscape. Our method achieves efficient, objective-directed designs within a few GPU-hours and operates entirely without fine-tuning or specialized training, offering a generalizable and adaptable solution for protein design. Beyond proteins, the approach lays the groundwork for collective LLM-driven design across biomolecular systems and other scientific discovery tasks.
Authors: Lesi Chen, Jingzhao Zhang
Abstract: Bilevel optimization minimizes an objective function, defined by an upper-level problem whose feasible region is the solution of a lower-level problem. We study the oracle complexity of finding an $\epsilon$-stationary point with first-order methods when the upper-level problem is nonconvex and the lower-level problem is strongly convex. Recent works (Ji et al., ICML 2021; Arbel and Mairal, ICLR 2022; Chen el al., JMLR 2025) achieve a $\tilde{\mathcal{O}}(\kappa^4 \epsilon^{-2})$ upper bound that is near-optimal in $\epsilon$. However, the optimal dependency on the condition number $\kappa$ is unknown. In this work, we establish a new $\Omega(\kappa^2 \epsilon^{-2})$ lower bound and $\tilde{\mathcal{O}}(\kappa^{7/2} \epsilon^{-2})$ upper bound for this problem, establishing the first provable gap between bilevel problems and minimax problems in this setup. Our lower bounds can be extended to various settings, including high-order smooth functions, stochastic oracles, and convex hyper-objectives: (1) For second-order and arbitrarily smooth problems, we show $\Omega(\kappa_y^{13/4} \epsilon^{-12/7})$ and $\Omega(\kappa^{17/10} \epsilon^{-8/5})$ lower bounds, respectively. (2) For convex-strongly-convex problems, we improve the previously best lower bound (Ji and Liang, JMLR 2022) from $\Omega(\kappa /\sqrt{\epsilon})$ to $\Omega(\kappa^{5/4} / \sqrt{\epsilon})$. (3) For smooth stochastic problems, we show an $\Omega(\kappa^4 \epsilon^{-4})$ lower bound.
Authors: Fabio Rosenthal, Sebastian Schmidt, Thorsten Graf, Thorsten Bagodonat, Stephan G\"unnemann, Leo Schwinn
Abstract: Multimodal Large Language Models (MLLMs) demonstrate strong capabilities in handling image-text inputs. A common way to assess this ability is through multiple-choice Visual Question Answering (VQA). Earlier works have already revealed that these benchmarks are sensitive to answer choice order, a limitation that can be mitigated through careful design. Yet, we highlight additional, unexplored biases in prompt formatting that question the reliability of current MLLM evaluations. Specifically, we identify three key variation factors in prompt formatting and analyze their impact through a large-scale study involving $\mathbf{\text{seven}}$ MLLMs and $\mathbf{\text{five}}$ VQA datasets, spanning $\mathbf{48}$ distinct $\mathbf{\text{prompt format variations}}$. Our findings reveal that multiple-choice VQA is highly sensitive to minor prompt format changes, even when these changes are semantically neutral. We further demonstrate that these biases persist independently of known order biases or the MLLM's confidence in the correct answer. Finally, we demonstrate that existing bias mitigation strategies fail to address these newly identified biases.
Authors: Sebe Vanbrabant, Gustavo Rovelo Ruiz, Davy Vanacken
Abstract: While the increased integration of AI technologies into interactive systems enables them to solve an increasing number of tasks, the black-box problem of AI models continues to spread throughout the interactive system as a whole. Explainable AI (XAI) techniques can make AI models more accessible by employing post-hoc methods or transitioning to inherently interpretable models. While this makes individual AI models clearer, the overarching system architecture remains opaque. This challenge not only pertains to standard XAI techniques but also to human examination and conversational XAI approaches that need access to model internals to interpret them correctly and completely. To this end, we propose conceptually representing such interactive systems as sequences of structural building blocks. These include the AI models themselves, as well as control mechanisms grounded in literature. The structural building blocks can then be explained through complementary explanatory building blocks, such as established XAI techniques like LIME and SHAP. The flow and APIs of the structural building blocks form an unambiguous overview of the underlying system, serving as a communication basis for both human and automated agents, thus aligning human and machine interpretability of the embedded AI models. In this paper, we present our flow-based approach and a selection of building blocks as MATCH: a framework for engineering Multi-Agent Transparent and Controllable Human-centered systems. This research contributes to the field of (conversational) XAI by facilitating the integration of interpretability into existing interactive systems.
Authors: Xinyu Zhang, Yixin Wu, Boyang Zhang, Chenhao Lin, Chao Shen, Michael Backes, Yang Zhang
Abstract: Images shared on social media often expose geographic cues. While early geolocation methods required expert effort and lacked generalization, the rise of Large Vision Language Models (LVLMs) now enables accurate geolocation even for ordinary users. However, existing approaches are not optimized for this task. To explore the full potential and associated privacy risks, we present Geo-Detective, an agent that mimics human reasoning and tool use for image geolocation inference. It follows a procedure with four steps that adaptively selects strategies based on image difficulty and is equipped with specialized tools such as visual reverse search, which emulates how humans gather external geographic clues. Experimental results show that GEO-Detective outperforms baseline large vision language models (LVLMs) overall, particularly on images lacking visible geographic features. In country level geolocation tasks, it achieves an improvement of over 11.1% compared to baseline LLMs, and even at finer grained levels, it still provides around a 5.2% performance gain. Meanwhile, when equipped with external clues, GEO-Detective becomes more likely to produce accurate predictions, reducing the "unknown" prediction rate by more than 50.6%. We further explore multiple defense strategies and find that Geo-Detective exhibits stronger robustness, highlighting the need for more effective privacy safeguards.
Authors: S\'ebastien Pi\'erard, Adrien Deli\`ege, Marc Van Droogenbroeck
Abstract: Ranking methods or models based on their performance is of prime importance but is tricky because performance is fundamentally multidimensional. In the case of classification, precision and recall are scores with probabilistic interpretations that are both important to consider and complementary. The rankings induced by these two scores are often in partial contradiction. In practice, therefore, it is extremely useful to establish a compromise between the two views to obtain a single, global ranking. Over the last fifty years or so,it has been proposed to take a weighted harmonic mean, known as the F-score, F-measure, or $F_\beta$. Generally speaking, by averaging basic scores, we obtain a score that is intermediate in terms of values. However, there is no guarantee that these scores lead to meaningful rankings and no guarantee that the rankings are good tradeoffs between these base scores. Given the ubiquity of $F_\beta$ scores in the literature, some clarification is in order. Concretely: (1) We establish that $F_\beta$-induced rankings are meaningful and define a shortest path between precision- and recall-induced rankings. (2) We frame the problem of finding a tradeoff between two scores as an optimization problem expressed with Kendall rank correlations. We show that $F_1$ and its skew-insensitive version are far from being optimal in that regard. (3) We provide theoretical tools and a closed-form expression to find the optimal value for $\beta$ for any distribution or set of performances, and we illustrate their use on six case studies.
Authors: Valeria D\'iaz Moreno, Ryan P Khalili, Daniel Schug, Patrick J. Walsh, Justyna P. Zwolak
Abstract: Semiconductor quantum dots (QDs) are a leading platform for scalable quantum processors. However, scaling to large arrays requires reliable, automated tuning strategies for devices' bootstrapping, calibration, and operation, with many tuning aspects depending on accurately identifying QD device states from charge-stability diagrams (CSDs). In this work, we present a comprehensive benchmarking study of four modern machine learning (ML) architectures for multi-class state recognition in double-QD CSDs. We evaluate their performance across different data budgets and normalization schemes using both synthetic and experimental data. We find that the more resource-intensive models -- U-Nets and visual transformers (ViTs) -- achieve the highest MSE score (defined as $1-\mathrm{MSE}$) on synthetic data (over $0.98$) but fail to generalize to experimental data. MDNs are the most computationally efficient and exhibit highly stable training, but with substantially lower peak performance. CNNs offer the most favorable trade-off on experimental CSDs, achieving strong accuracy with two orders of magnitude fewer parameters than the U-Nets and ViTs. Normalization plays a nontrivial role: min-max scaling generally yields higher MSE scores but less stable convergence, whereas z-score normalization produces more predictable training dynamics but at reduced accuracy for most models. Overall, our study shows that CNNs with min-max normalization are a practical approach for QD CSDs.
Authors: Samuel Burles, Enrico Camporeale
Abstract: The requirement for large-scale global simulations of plasma is an ongoing challenge in both space and laboratory plasma physics. Any simulation based on a fluid model inherently requires a closure relation for the high order plasma moments. This review compiles and analyses the recent surge of machine learning approaches developing improved plasma closure models capable of capturing kinetic phenomena within plasma fluid models. The purpose of this review is both to collect and analyse the various methods employed on the plasma closure problem, including both equation discovery methods and neural network surrogate approaches, as well as to provide a general overview of the state of the problem. In particular, we highlight the challenges of developing a data-driven closure as well as the direction future work should take toward addressing these challenges, in the pursuit of a computationally viable large-scale global simulation.
Authors: Hyakka Nakada, Marika Kubota
Abstract: The advent of generative models has dramatically improved the accuracy of image inpainting. In particular, by removing specific text from document images, reconstructing original images is extremely important for industrial applications. However, most existing methods of text removal focus on deleting simple scene text which appears in images captured by a camera in an outdoor environment. There is little research dedicated to complex and practical images with dense text. Therefore, we created benchmark data for text removal from images including a large amount of text. From the data, we found that text-removal performance becomes vulnerable against mask profile perturbation. Thus, for practical text-removal tasks, precise tuning of the mask shape is essential. This study developed a method to model highly flexible mask profiles and learn their parameters using Bayesian optimization. The resulting profiles were found to be character-wise masks. It was also found that the minimum cover of a text region is not optimal. Our research is expected to pave the way for a user-friendly guideline for manual masking.
Authors: Hyun-Sik Jeong, Hanse Kim, Keun-Young Kim, Gaya Yun, Hyeonwoo Yu, Kwan Yun
Abstract: We apply physics-informed machine learning (PIML) to solve inverse problems in holography and classical mechanics, focusing on neural ordinary differential equations (Neural ODEs) and physics-informed neural networks (PINNs) for solving non-linear differential equations of motion. First, we introduce holographic inverse problems and demonstrate how PIML can reconstruct bulk spacetime and effective potentials from boundary quantum data. To illustrate this, two case studies are explored: the QCD equation of state in holographic QCD and $T$-linear resistivity in holographic strange metals. Additionally, we explicitly show how such holographic problems can be analogized to inverse problems in classical mechanics, modeling frictional forces with neural networks. We also explore Kolmogorov-Arnold Networks (KANs) as an alternative to traditional neural networks, offering more efficient solutions in certain cases. This manuscript aim to provide a systematic framework for using neural networks in inverse problems, serving as a comprehensive reference for researchers in machine learning for high-energy physics, with methodologies that also have broader applications in mathematics, engineering, and the natural sciences.
Authors: Yannick Brunink, Daniel Daza, Yunjie He, Michael Cochez
Abstract: Neural methods for Complex Query Answering (CQA) over knowledge graphs (KGs) are widely believed to learn patterns that generalize beyond explicit graph structure, allowing them to infer answers that are unreachable through symbolic query processing. In this work, we critically examine this assumption through a systematic analysis comparing neural CQA models with an alternative, training-free query relaxation strategy that retrieves possible answers by relaxing query constraints and counting resulting paths. Across multiple datasets and query structures, we find several cases where neural and relaxation-based approaches perform similarly, with no neural model consistently outperforming the latter. Moreover, a similarity analysis reveals that their retrieved answers exhibit little overlap, and that combining their outputs consistently improves performance. These results call for a re-evaluation of progress in neural query answering: despite their complexity, current models fail to subsume the reasoning patterns captured by query relaxation. Our findings highlight the importance of stronger non-neural baselines and suggest that future neural approaches could benefit from incorporating principles of query relaxation.
Authors: Mohammadreza Malekabbasi, Minghe Wang, David Bermbach
Abstract: Deploying Large Language Model (LLM) services at the edge benefits latency-sensitive and privacy-aware applications. However, the stateless nature of LLMs makes managing user context (e.g., sessions, preferences) across geo-distributed edge nodes challenging. Existing solutions, such as client-side context storage, often introduce network latency and bandwidth overhead, undermining the advantages of edge deployment. We propose DisCEdge, a distributed context management system that stores and replicates user context in tokenized form across edge nodes. By maintaining context as token sequences rather than raw text, our system avoids redundant computation and enables efficient data replication. We implement and evaluate an open-source prototype in a realistic edge environment with commodity hardware. We show DisCEdge improves median response times by up to 14.46% and lowers median inter-node synchronization overhead by up to 15% compared to a raw-text-based system. It also reduces client request sizes by a median of 90% compared to client-side context management, while guaranteeing data consistency.
Authors: Xiaoyin Yang
Abstract: Eye tracking has become increasingly important in virtual and augmented reality applications; however, the current gaze accuracy falls short of meeting the requirements for spatial computing. We designed a gaze collection framework and utilized high-precision equipment to gather the first precise benchmark dataset, GazeTrack, encompassing diverse ethnicities, ages, and visual acuity conditions for pupil localization and gaze tracking. We propose a novel shape error regularization method to constrain pupil ellipse fitting and train on open-source datasets, enhancing semantic segmentation and pupil position prediction accuracy. Additionally, we invent a novel coordinate transformation method similar to paper unfolding to accurately predict gaze vectors on the GazeTrack dataset. Finally, we built a gaze vector generation model that achieves reduced gaze angle error with lower computational complexity compared to other methods.
Authors: Yan Yang, Bin Gao, Ya-xiang Yuan
Abstract: Determinantal varieties -- the sets of bounded-rank matrices or tensors -- have attracted growing interest in low-rank optimization. The tangent cone to low-rank sets is widely studied and underpins a range of geometric methods. The second-order geometry, which encodes curvature information, is more intricate. In this work, we develop a unified framework to derive explicit formulas for both first- and second-order tangent sets to various low-rank sets, including low-rank matrices, tensors, symmetric matrices, and positive semidefinite matrices. The framework also accommodates the intersection of a low-rank set and another set satisfying mild assumptions, thereby yielding a tangent intersection rule. Through the lens of tangent sets, we establish a necessary and sufficient condition under which a nonsmooth problem and its smooth parameterization share equivalent second-order stationary points. Moreover, we exploit tangent sets to characterize optimality conditions for low-rank optimization and prove that verifying second-order optimality is NP-hard. In a separate line of analysis, we investigate variational geometry of the graph of the normal cone to matrix varieties, deriving the explicit Bouligand tangent cone, Fr\'echet and Mordukhovich normal cones to the graph. These results are further applied to develop optimality conditions for low-rank bilevel programs.
Authors: Paraskevi-Antonia Theofilou, Anuhya Thota, Stefanos Kollias, Mamatha Thota
Abstract: When deep learning models are sequentially trained on new data, they tend to abruptly lose performance on previously learned tasks, a critical failure known as catastrophic forgetting. This challenge severely limits the deployment of AI in medical imaging, where models must continually adapt to data from new hospitals without compromising established diagnostic knowledge. To address this, we introduce a latent drift-guided replay method that identifies and replays samples with high representational instability. Specifically, our method quantifies this instability via latent drift, the change in a sample internal feature representation after naive domain adaptation. To ensure diversity and clinical relevance, we aggregate drift at the patient level, our memory buffer stores the per patient slices exhibiting the greatest multi-layer representation shift. Evaluated on a cross-hospital COVID-19 CT classification task using state-of-the-art CNN and Vision Transformer backbones, our method substantially reduces forgetting compared to naive fine-tuning and random replay. This work highlights latent drift as a practical and interpretable replay signal for advancing robust continual learning in real world medical settings.
Authors: Houssam Metni, Laura Ruple, Lauren N. Walters, Luca Torresi, Jonas Teufel, Henrik Schopmans, Jona \"Ostreicher, Yumeng Zhang, Marlen Neubert, Yuri Koide, Kevin Steiner, Paul Link, Lukas B\"ar, Mariana Petrova, Gerbrand Ceder, Pascal Friederich
Abstract: Understanding structure-property relationships in materials is fundamental in condensed matter physics and materials science. Over the past few years, machine learning (ML) has emerged as a powerful tool for advancing this understanding and accelerating materials discovery. Early ML approaches primarily focused on constructing and screening large material spaces to identify promising candidates for various applications. More recently, research efforts have increasingly shifted toward generating crystal structures using end-to-end generative models. This review analyzes the current state of generative modeling for crystal structure prediction and \textit{de novo} generation. It examines crystal representations, outlines the generative models used to design crystal structures, and evaluates their respective strengths and limitations. Furthermore, the review highlights experimental considerations for evaluating generated structures and provides recommendations for suitable existing software tools. Emerging topics, such as modeling disorder and defects, integration in advanced characterization, and incorporating synthetic feasibility constraints, are explored. Ultimately, this work aims to inform both experimental scientists looking to adapt suitable ML models to their specific circumstances and ML specialists seeking to understand the unique challenges related to inverse materials design and discovery.
Authors: Kanchon Gharami, Shafika Showkat Moni
Abstract: The rapid proliferation of unmanned aerial vehicles (UAVs) and their applications in diverse domains, such as surveillance, disaster management, agriculture, and defense, have revolutionized modern technology. While the potential benefits of swarm-based UAV networks are growing significantly, they are vulnerable to various security attacks that can jeopardize the overall mission success by degrading their performance, disrupting decision-making, and compromising the trajectory planning process. The Intrusion Detection System (IDS) plays a vital role in identifying potential security attacks to ensure the secure operation of UAV swarm networks. However, conventional IDS primarily focuses on binary classification with resource-intensive neural networks and faces challenges, including latency, privacy breaches, increased performance overhead, and model drift. This research aims to address these challenges by developing a novel lightweight and federated continuous learning-based IDS scheme. Our proposed model facilitates decentralized training across diverse UAV swarms to ensure data heterogeneity and privacy. The performance evaluation of our model demonstrates significant improvements, with classification accuracies of 99.45% on UKM-IDS, 99.99% on UAV-IDS, 96.85% on TLM-UAV dataset, and 98.05% on Cyber-Physical datasets.
Authors: Yiming Chen, Junlin Han, Tianyi Bai, Shengbang Tong, Filippos Kokkinos, Philip Torr
Abstract: While Multimodal Large Language Models (MLLMs) are adept at answering what is in an image-identifying objects and describing scenes-they often lack the ability to understand how an image feels to a human observer. This gap is most evident when considering subjective cognitive properties, such as what makes an image memorable, funny, aesthetically pleasing, or emotionally evocative. To systematically address this challenge, we introduce CogIP-Bench, a comprehensive benchmark for evaluating MLLMs on such image cognitive properties. Our evaluation reveals a significant gap: current models are poorly aligned with human perception of these nuanced properties. We then demonstrate that a post-training phase can effectively bridge this gap, significantly enhancing the model's alignment with human judgments. Furthermore, we show that this learned cognitive alignment is not merely predictive but also transferable to downstream creative tasks. By integrating our cognitively-aligned MLLM into an image generation pipeline, we can guide the synthesis process to produce images that better embody desired traits, such as being more memorable or visually appealing. Our work provides a benchmark to measure this human-like perception, a post-training pipeline to enhance it, and a demonstration that this alignment unlocks more human-centric AI.
Authors: Vivek Kumar, Pushpraj Singh Rajawat, Eirini Ntoutsi
Abstract: Recent advancements in large language models (LLMs) have shown their potential across both general and domain-specific tasks. However, there is a growing concern regarding their lack of sensitivity, factual incorrectness in responses, inconsistent expressions of empathy, bias, hallucinations, and overall inability to capture the depth and complexity of human understanding, especially in low-resource and sensitive domains such as psychology. To address these challenges, our study employs a mixed-methods approach to evaluate the efficacy of LLMs in psychotherapy. We use LLMs to generate precise summaries of motivational interviewing (MI) dialogues and design a two-stage annotation scheme based on key components of the Motivational Interviewing Treatment Integrity (MITI) framework, namely evocation, collaboration, autonomy, direction, empathy, and a non-judgmental attitude. Using expert-annotated MI dialogues as ground truth, we formulate multi-class classification tasks to assess model performance under progressive prompting techniques, incorporating one-shot and few-shot prompting. Our results offer insights into LLMs' capacity for understanding complex psychological constructs and highlight best practices to mitigate ``semantic drift" in therapeutic settings. Our work contributes not only to the MI community by providing a high-quality annotated dataset to address data scarcity in low-resource domains but also critical insights for using LLMs for precise contextual interpretation in complex behavioral therapy.
Authors: Yongji Wang, Tristan L\'eger, Ching-Yao Lai, Tristan Buckmaster
Abstract: Recent work introduced a robust computational framework combining embedded mathematical structures, advanced optimization, and neural network architecture, leading to the discovery of multiple unstable self-similar solutions for key fluid dynamics equations, including the Incompressible Porous Media (IPM) and 2D Boussinesq systems. While this framework confirmed the existence of these singularities, an accuracy level approaching double-float machine precision was only achieved for stable and 1st unstable solutions of the 1D C\'ordoba-C\'ordoba-Fontelos model. For highly unstable solutions characterized by extreme gradients, the accuracy remained insufficient for validation. The primary obstacle is the presence of sharp solution gradients. Those gradients tend to induce large, localized PDE residuals during training, which not only hinder convergence, but also obscure the subtle signals near the origin required to identify the correct self-similar scaling parameter lambda of the solutions. In this work, we introduce a gradient-normalized PDE residual re-weighting scheme to resolve the high-gradient challenge while amplifying the critical residual signals at the origin for lambda identification. Coupled with the multi-stage neural network architecture, the PDE residuals are reduced to the level of round-off error across a wide spectrum of unstable self-similar singularities previously discovered. Furthermore, our method enables the discovery of new highly unstable singularities, i.e. the 4th unstable solution for IPM equations and a novel family of highly unstable solitons for the Nonlinear Schr\"odinger equations. This results in achieving high-gradient solutions with high precision, providing an important ingredient for bridging the gap between numerical discovery and computer-assisted proofs for unstable phenomena in nonlinear PDEs.
Authors: Shashwat Jaiswal, Shrikara Arun, Anjaly Parayil, Ankur Mallick, Spyros Mastorakis, Alind Khare, Chloi Alverti, Renee St Amant, Chetan Bansal, Victor R\"uhle, Josep Torrellas
Abstract: Low-Rank Adaptation (LoRA) has become the de facto method for parameter-efficient fine-tuning of large language models (LLMs), enabling rapid adaptation to diverse domains. In production, LoRA-based models are served at scale, creating multi-tenant environments with hundreds of adapters sharing a base model. However, state-of-the-art serving systems co-batch heterogeneous adapters without accounting for rank (size) variability, leading to severe performance skew, which ultimately requires adding more GPUs to satisfy service-level objectives (SLOs). Existing optimizations, focused on loading, caching, and kernel execution, ignore this heterogeneity, leaving GPU resources underutilized. We present LoRAServe, a workload-aware dynamic adapter placement and routing framework designed to tame rank diversity in LoRA serving. By dynamically rebalancing adapters across GPUs and leveraging GPU Direct RDMA for remote access, LoRAServe maximizes throughput and minimizes tail latency under real-world workload drift. Evaluations on production traces from Company X show that LoRAServe elicits up to 2$\times$ higher throughput, up to 9$\times$ lower TTFT, while using up to 50% fewer GPUs under SLO constraints compared to state-of-the-art systems.
Authors: Kumar Tanmay, Kriti Aggarwal, Paul Pu Liang, Subhabrata Mukherjee
Abstract: Large Reasoning Models (LRMs) achieve strong performance in mathematics, code generation, and task planning, but their reliance on long chains of verbose "thinking" tokens leads to high latency, redundancy, and incoherent reasoning paths. Inspired by the Language of Thought Hypothesis, which posits that human reasoning operates over a symbolic, compositional mental language called Mentalese, we introduce a framework that trains models to reason in a similarly compact style. Mentalese encodes abstract reasoning as ultra-compressed, structured tokens, enabling models to solve complex problems with far fewer steps. To improve both efficiency and accuracy, we propose SHORTER LENGTH PREFERENCE OPTIMIZATION (SLPO), a reinforcement learning method that rewards concise solutions that stay correct, while still allowing longer reasoning when needed. Applied to Mentalese-aligned models, SLPO yields significantly higher compression rates by enabling concise reasoning that preserves the benefits of detailed thinking without the computational overhead. Across benchmarks including AIME 2024 and 2025, MinervaMath, OlympiadBench, Math500, and AMC, our ORION models produce reasoning traces with 4-16x fewer tokens, achieve up to 5x lower inference latency, and reduce training costs by 7-9x relative to the DeepSeek R1 Distilled model, while maintaining 90-98% of its accuracy. ORION also surpasses Claude and ChatGPT-4o by up to 5% in accuracy while maintaining 2x compression. These results show that Mentalese-style compressed reasoning offers a step toward human-like cognitive efficiency, enabling real-time, cost-effective reasoning without sacrificing accuracy.
Authors: Kailin Lyu, Jianwei He, Long Xiao, Jianing Zeng, Liang Fan, Lin Shu, Jie Hao
Abstract: In open-world scenarios, Generalized Category Discovery (GCD) requires identifying both known and novel categories within unlabeled data. However, existing methods often suffer from prototype confusion caused by shortcut learning, which undermines generalization and leads to forgetting of known classes. We propose ClearGCD, a framework designed to mitigate reliance on non-semantic cues through two complementary mechanisms. First, Semantic View Alignment (SVA) generates strong augmentations via cross-class patch replacement and enforces semantic consistency using weak augmentations. Second, Shortcut Suppression Regularization (SSR) maintains an adaptive prototype bank that aligns known classes while encouraging separation of potential novel ones. ClearGCD can be seamlessly integrated into parametric GCD approaches and consistently outperforms state-of-the-art methods across multiple benchmarks.
Authors: Anh Nguyen, Stefan Lee
Abstract: To interact effectively with humans in the real world, it is important for agents to understand language that describes the dynamics of the environment--that is, how the environment behaves--rather than just task instructions specifying "what to do". Understanding this dynamics-descriptive language is important for human-agent interaction and agent behavior. Recent work address this problem using a model-based approach: language is incorporated into a world model, which is then used to learn a behavior policy. However, these existing methods either do not demonstrate policy generalization to unseen games or rely on limiting assumptions. For instance, assuming that the latency induced by inference-time planning is tolerable for the target task or expert demonstrations are available. Expanding on this line of research, we focus on improving policy generalization from a language-conditioned world model while dropping these assumptions. We propose a model-based reinforcement learning approach, where a language-conditioned world model is trained through interaction with the environment, and a policy is learned from this model--without planning or expert demonstrations. Our method proposes Language-aware Encoder for Dreamer World Model (LED-WM) built on top of DreamerV3. LED-WM features an observation encoder that uses an attention mechanism to explicitly ground language descriptions to entities in the observation. We show that policies trained with LED-WM generalize more effectively to unseen games described by novel dynamics and language compared to other baselines in several settings in two environments: MESSENGER and MESSENGER-WM.To highlight how the policy can leverage the trained world model before real-world deployment, we demonstrate the policy can be improved through fine-tuning on synthetic test trajectories generated by the world model.
Authors: Yue-Gang Li, Ze Zheng, Jun-jie Wang, Ming He, Jianping Fan, Tailong Xiao, Guihua Zeng
Abstract: Ghost imaging leverages a single-pixel detector with no spatial resolution to acquire object echo intensity signals, which are correlated with illumination patterns to reconstruct an image. This architecture inherently mitigates scattering interference between the object and the detector but sensitive to scattering between the light source and the object. To address this challenge, we propose an optical diffraction neural networks (ODNNs) assisted ghost imaging method for imaging through dynamic scattering media. In our scheme, a set of fixed ODNNs, trained on simulated datasets, is incorporated into the experimental optical path to actively correct random distortions induced by dynamic scattering media. Experimental validation using rotating single-layer and double-layer ground glass confirms the feasibility and effectiveness of our approach. Furthermore, our scheme can also be combined with physics-prior-based reconstruction algorithms, enabling high-quality imaging under undersampled conditions. This work demonstrates a novel strategy for imaging through dynamic scattering media, which can be extended to other imaging systems.
Authors: Sumit Mamtani, Abhijeet Bhure
Abstract: This paper investigates fake news detection as a downstream evaluation of Transformer representations, benchmarking encoder-only and decoder-only pre-trained models (BERT, GPT-2, Transformer-XL) as frozen embedders paired with lightweight classifiers. Through controlled preprocessing comparing pooling versus padding and neural versus linear heads, results demonstrate that contextual self-attention encodings consistently transfer effectively. BERT embeddings combined with logistic regression outperform neural baselines on LIAR dataset splits, while analyses of sequence length and aggregation reveal robustness to truncation and advantages from simple max or average pooling. This work positions attention-based token encoders as robust, architecture-centric foundations for veracity tasks, isolating Transformer contributions from classifier complexity.
Authors: Moritz H\"utten
Abstract: Understanding past and present maritime activity patterns is critical for navigation safety, environmental assessment, and commercial operations. An increasing number of services now openly provide positioning data from the Automatic Identification System (AIS) via ground-based receivers. We show that coastal vessel activity can be reconstructed from open access data with high accuracy, even with limited data quality and incomplete receiver coverage. For three months of open AIS data in the Baltic Sea from August to October 2024, we present (i) cleansing and reconstruction methods to improve the data quality, and (ii) a journey model that converts AIS message data into vessel counts, traffic estimates, and spatially resolved vessel density at a resolution of $\sim$400 m. Vessel counts are provided, along with their uncertainties, for both moving and stationary activity. Vessel density maps also enable the identification of port locations, and we infer the most crowded and busiest coastal areas in the Baltic Sea. We find that on average, $\gtrsim$4000 vessels simultaneously operate in the Baltic Sea, and more than 300 vessels enter or leave the area each day. Our results agree within 20\% with previous studies relying on proprietary data.
Authors: Elham Ahmadi, Alireza Olama, Petri V\"alisuo, Heidi Kuusniemi
Abstract: Reliable positioning in GNSS-challenged environments remains a critical challenge for navigation systems. Tightly coupled GNSS/IMU fusion improves robustness but remains vulnerable to non-Gaussian noise and outliers. We present a robust and adaptive factor graph-based fusion framework that directly integrates GNSS pseudorange measurements with IMU preintegration factors and incorporates the Barron loss, a general robust loss function that unifies several m-estimators through a single tunable parameter. By adaptively down weighting unreliable GNSS measurements, our approach improves resilience positioning. The method is implemented in an extended GTSAM framework and evaluated on the UrbanNav dataset. The proposed solution reduces positioning errors by up to 41% relative to standard FGO, and achieves even larger improvements over extended Kalman filter (EKF) baselines in urban canyon environments. These results highlight the benefits of Barron loss in enhancing the resilience of GNSS/IMU-based navigation in urban and signal-compromised environments.
Authors: Yuanhong Chen, Federico Pichi, Zhen Gao, Gianluigi Rozza
Abstract: Graph autoencoders have gained attention in nonlinear reduced-order modeling of parameterized partial differential equations defined on unstructured grids. Despite they provide a geometrically consistent way of treating complex domains, applying such architectures to parameterized dynamical systems for temporal prediction beyond the training data, i.e. the extrapolation regime, is still a challenging task due to the simultaneous need of temporal causality and generalizability in the parametric space. In this work, we explore the integration of graph convolutional autoencoders (GCAs) with tensor train (TT) decomposition and Operator Inference (OpInf) to develop a time-consistent reduced-order model. In particular, high-fidelity snapshots are represented as a combination of parametric, spatial, and temporal cores via TT decomposition, while OpInf is used to learn the evolution of the latter. Moreover, we enhance the generalization performance by developing a multi-fidelity two-stages approach in the framework of Deep Operator Networks (DeepONet), treating the spatial and temporal cores as the trunk networks, and the parametric core as the branch network. Numerical results, including heat-conduction, advection-diffusion and vortex-shedding phenomena, demonstrate great performance in effectively learning the dynamic in the extrapolation regime for complex geometries, also in comparison with state-of-the-art approaches e.g. MeshGraphNets.
Authors: Sidharth Rony, Jack Patman
Abstract: Standard Occupational Classifiers (SOC) are systems used to categorize and classify different types of jobs and occupations based on their similarities in terms of job duties, skills, and qualifications. Integrating these facets with Big Data from job advertisement offers the prospect to investigate labour demand that is specific to various occupations. This project investigates the use of recent developments in natural language processing to construct a classifier capable of assigning an occupation code to a given job advertisement. We develop various classifiers for both UK ONS SOC and US O*NET SOC, using different Language Models. We find that an ensemble model, which combines Google BERT and a Neural Network classifier while considering job title, description, and skills, achieved the highest prediction accuracy. Specifically, the ensemble model exhibited a classification accuracy of up to 61% for the lower (or fourth) tier of SOC, and 72% for the third tier of SOC. This model could provide up to date, accurate information on the evolution of the labour market using job advertisements.
Authors: Hongye Zhu, Xuan Liu, Yanwen Ba, Jingye Xue, Shigeng Zhang
Abstract: Missing modalities consistently lead to significant performance degradation in multimodal models. Existing approaches either synthesize missing modalities at high computational cost or apply prompt-based fine-tuning that relies only on adjacent-layer features and overlooks long-distance contextual information, which may offer additional tolerance to errors when one or more modalities are missing. To address this, we introduce REplay Prompting (REP): (1) construct modality-wise feature buffers via a residual bypass to cache early-layer representations and replay them in deeper layers, mitigating information loss as network depth increases; (2) employ a private-shared feature decoupling strategy, where private buffers preserve modality-specific signals and shared buffers encode cross-modal semantics; and (3) design a task-aware dynamic initialization mechanism to configure these buffers differently, improving stability and generalization under diverse missing-modality conditions. Experiments on vision-language, vision-language-audio, and temporal multimodal benchmarks demonstrate that REP consistently outperforms prior methods under both single- and multi-modality missing scenarios, while introducing only negligible parameter overhead. These results establish REP as a lightweight and effective paradigm for robust multimodal learning in challenging missing-modality environments.
Authors: Alicia Mart\'in, Tariq Yasin, Deaglan J. Bartlett, Harry Desmond, Pedro G. Ferreira
Abstract: Dark matter haloes are typically characterised by radial density profiles with fixed forms motivated by simulations (e.g. NFW). However, simulation predictions depend on uncertain dark matter physics and baryonic modelling. Here, we present a method to constrain halo density profiles directly from observations using Exhaustive Symbolic Regression (ESR), a technique that searches the space of analytic expressions for the function that best balances accuracy and simplicity for a given dataset. We test the approach on mock weak lensing excess surface density (ESD) data of synthetic clusters with NFW profiles. Motivated by real data, we assign each ESD data point a constant fractional uncertainty and vary this uncertainty and the number of clusters to probe how data precision and sample size affect model selection. For fractional errors around 5%, ESR recovers the NFW profile even from samples as small as 20 clusters. At higher uncertainties representative of current surveys, simpler functions are favoured over NFW, though it remains competitive. This preference arises because weak lensing errors are smallest in the outskirts, causing the fits to be dominated by the outer profile. ESR therefore provides a robust, simulation-independent framework both for testing mass models and determining which features of a halo's density profile are genuinely constrained by the data.
Authors: Yuandong Wang, Yao Cui, Yuxin Zhao, Zhen Yang, Yangfu Zhu, Zhenzhou Shao
Abstract: Recent advances in Vision-Language Models (VLMs) have achieved impressive progress in multimodal mathematical reasoning. Yet, how much visual information truly contributes to reasoning remains unclear. Existing benchmarks report strong overall performance but seldom isolate the role of the image modality, leaving open whether VLMs genuinely leverage visual understanding or merely depend on linguistic priors. To address this, we present MathSight, a university-level multimodal mathematical reasoning benchmark designed to disentangle and quantify the effect of visual input. Each problem includes multiple visual variants -- original, hand-drawn, photo-captured -- and a text-only condition for controlled comparison. Experiments on state-of-the-art VLMs reveal a consistent trend: the contribution of visual information diminishes with increasing problem difficulty. Remarkably, Qwen3-VL without any image input surpasses both its multimodal variants and GPT-5, underscoring the need for benchmarks like MathSight to advance genuine vision-grounded reasoning in future models.
Authors: Siqi Chen, Ke Hong, Tianchen Zhao, Ruiqi Xie, Zhenhua Zhu, Xudong Zhang, Yu Wang
Abstract: Scaling Diffusion Transformer (DiT) inference via sequence parallelism is critical for reducing latency in visual generation, but is severely hampered by workload imbalance when applied to models employing block-wise sparse attention. The imbalance stems from the inherent variation in sparsity across attention heads and the irregular distribution of dense blocks within the sparse mask, when sequence parallelism is applied along the head dimension (as in Ulysses) or the block dimension (as in Ring Attention). In this paper, we formalize a sparse imbalance ratio to quantify the imbalance, and propose db-SP, a sparsity-aware sequence parallelism technique that tackles the challenge. db-SP contains a dual-level partitioning approach that achieves near-perfect workload balance at both the head and block levels with negligible overhead. Furthermore, to handle the evolving sparsity patterns across denoising steps and layers, db-SP dynamically determines the parallel degrees for the head and block dimensions at runtime. Experimental results demonstrate that db-SP delivers an end-to-end speedup of 1.25x and an attention-specific speedup of 1.40x over state-of-the-art sequence parallel methods on average. Code is available at https://github.com/thu-nics/db-SP.
Authors: Stefaniya Kozhevnikova, Denis Yukhnenko, Giulio Scola, Seena Fazel
Abstract: Purpose To conduct a systematic review of machine learning models for predicting violent behaviour by synthesising and appraising their validity, usefulness, and performance. Methods We systematically searched nine bibliographic databases and Google Scholar up to September 2025 for development and/or validation studies on machine learning methods for predicting all forms of violent behaviour. We synthesised the results by summarising discrimination and calibration performance statistics and evaluated study quality by examining risk of bias and clinical utility. Results We identified 38 studies reporting the development and validation of 40 models. Most studies reported Area Under the Curve (AUC) as the discrimination statistic with a range of 0.68-0.99. Only eight studies reported calibration performance, and three studies reported external validation. 31 studies had a high risk of bias, mainly in the analysis domain, and three studies had low risk of bias. The overall clinical utility of violence prediction models is poor, as indicated by risks of overfitting due to small samples, lack of transparent reporting, and low generalisability. Conclusion Although black box machine learning models currently have limited applicability in clinical settings, they may show promise for identifying high-risk individuals. We recommend five key considerations for violence prediction modelling: (i) ensuring methodological quality (e.g. following guidelines) and interdisciplinary collaborations; (ii) using black box algorithms only for highly complex data; (iii) incorporating dynamic predictions to allow for risk monitoring; (iv) developing more trustworthy algorithms using explainable methods; and (v) applying causal machine learning approaches where appropriate.
Authors: Yuchen Shi, Huaxin Pei, Yi Zhang, Danya Yao
Abstract: Multi-Agent Reinforcement Learning (MARL) holds significant promise for enabling cooperative driving among Connected and Automated Vehicles (CAVs). However, its practical application is hindered by a critical limitation, i.e., insufficient fault tolerance against observational faults. Such faults, which appear as perturbations in the vehicles' perceived data, can substantially compromise the performance of MARL-based driving systems. Addressing this problem presents two primary challenges. One is to generate adversarial perturbations that effectively stress the policy during training, and the other is to equip vehicles with the capability to mitigate the impact of corrupted observations. To overcome the challenges, we propose a fault-tolerant MARL method for cooperative on-ramp vehicles incorporating two key agents. First, an adversarial fault injection agent is co-trained to generate perturbations that actively challenge and harden the vehicle policies. Second, we design a novel fault-tolerant vehicle agent equipped with a self-diagnosis capability, which leverages the inherent spatio-temporal correlations in vehicle state sequences to detect faults and reconstruct credible observations, thereby shielding the policy from misleading inputs. Experiments in a simulated highway merging scenario demonstrate that our method significantly outperforms baseline MARL approaches, achieving near-fault-free levels of safety and efficiency under various observation fault patterns.
Authors: Martin Mocko, Jakub \v{S}evcech, Daniela Chud\'a
Abstract: Recent years have shown that malware attacks still happen with high frequency. Malware experts seek to categorize and classify incoming samples to confirm their trustworthiness or prove their maliciousness. One of the ways in which groups of malware samples can be identified is through malware clustering. Despite the efforts of the community, malware clustering which incorporates benign samples has been under-explored. Moreover, despite the availability of larger public benchmark malware datasets, malware clustering studies have avoided fully utilizing these datasets in their experiments, often resorting to small datasets with only a few families. Additionally, the current state-of-the-art solutions for malware clustering remain unclear. In our study, we evaluate malware clustering quality and establish the state-of-the-art on Bodmas and Ember - two large public benchmark malware datasets. Ours is the first study of malware clustering performed on whole malware benchmark datasets. Additionally, we extend the malware clustering task by incorporating benign samples. Our results indicate that incorporating benign samples does not significantly degrade clustering quality. We find that there are significant differences in the quality of the created clusters between Ember and Bodmas, as well as a private industry dataset. Contrary to popular opinion, our top clustering performers are K-Means and BIRCH, with DBSCAN and HAC falling behind.
Authors: Shiqin Tang, Yining Dong, S. Joe Qin
Abstract: In traditional multivariate data analysis, dimension reduction and regression have been treated as distinct endeavors. Established techniques such as principal component regression (PCR) and partial least squares (PLS) regression traditionally compute latent components as intermediary steps -- although with different underlying criteria -- before proceeding with the regression analysis. In this paper, we introduce an innovative regression methodology named PLS-integrated Lasso (PLS-Lasso) that integrates the concept of dimension reduction directly into the regression process. We present two distinct formulations for PLS-Lasso, denoted as PLS-Lasso-v1 and PLS-Lasso-v2, along with clear and effective algorithms that ensure convergence to global optima. PLS-Lasso-v1 and PLS-Lasso-v2 are compared with Lasso on the task of financial index tracking and show promising results.
Authors: Tomoshige Nakamura, Hiroshi Shiraishi
Abstract: Quantile Regression Forests (QRF) are widely used for non-parametric conditional quantile estimation, yet statistical inference for variable importance measures remains challenging due to the non-smoothness of the loss function and the complex bias-variance trade-off. In this paper, we develop a asymptotic theory for variable importance defined as the difference in pinball loss risks. We first establish the asymptotic normality of the QRF estimator by handling the non-differentiable pinball loss via Knight's identity. Second, we uncover a "phase transition" phenomenon governed by the subsampling rate $\beta$ (where $s \asymp n^{\beta}$). We prove that in the bias-dominated regime ($\beta \ge 1/2$), which corresponds to large subsample sizes typically favored in practice to maximize predictive accuracy, standard inference breaks down as the estimator converges to a deterministic bias constant rather than a zero-mean normal distribution. Finally, we derive the explicit analytic form of this asymptotic bias and discuss the theoretical feasibility of restoring valid inference via analytic bias correction. Our results highlight a fundamental trade-off between predictive performance and inferential validity, providing a theoretical foundation for understanding the intrinsic limitations of random forest inference in high-dimensional settings.
Authors: Vincenzo Lipardi, Domenica Dibenedetto, Georgios Stamoulis, Evert van Nieuwenburg, Mark H. M. Winands
Abstract: This article proposes a Graph Neural Network (GNN) approach to estimate nonstabilizerness in quantum circuits, measured by the stabilizer R\'enyi entropy (SRE). Nonstabilizerness is a fundamental resource for quantum advantage, and efficient SRE estimations are highly beneficial in practical applications. We address the nonstabilizerness estimation problem through three supervised learning formulations starting from easier classification tasks to the more challenging regression task. Experimental results show that the proposed GNN manages to capture meaningful features from the graph-based circuit representation, resulting in robust generalization performances achieved across diverse scenarios. In classification tasks, the GNN is trained on product states and generalizes on circuits evolved under Clifford operations, entangled states, and circuits with higher number of qubits. In the regression task, the GNN significantly improves the SRE estimation on out-of-distribution circuits with higher number of qubits and gate counts compared to previous work, for both random quantum circuits and structured circuits derived from the transverse-field Ising model. Moreover, the graph representation of quantum circuits naturally integrates hardware-specific information. Simulations on noisy quantum hardware highlight the potential of the proposed GNN to predict the SRE measured on quantum devices.
Authors: Guang Liang, Jie Shao, Ningyuan Tang, Xinyao Liu, Jianxin Wu
Abstract: Native FP8 support in modern hardware is essential for training large Transformers, but is severely hindered by extreme activation outliers. Existing solutions either rely on complex mixed-precision engineering or invasive architectural modifications. This paper fundamentally challenges the conventional wisdom that outliers are data-driven. We demonstrate that extreme outliers are a data-independent, mechanically-produced artifact of training, originating from specific structural properties of the weight matrices (i.e., colinearity). Based on this insight, we propose TWEO (Transformers Without Extreme Outliers), a novel, non-invasive loss function. TWEO effectively prevents extreme outliers via a very simple loss term, which reduces outliers from 10000+ to less than 20. TWEO then enables full-model FP8 pre-training with neither engineering tricks nor architectural changes for both LLM and ViT. When standard FP8 training catastrophically collapses, TWEO achieves performance comparable to the BF16 baseline while delivering a 36% increase in training throughput. Also, TWEO enables a new quantization paradigm. Hardware-friendly W8A8 per-tensor static quantization of LLMs, previously considered completely unusable due to outliers, achieves SOTA performance for the first time on TWEO-trained models.
Authors: Zixun Huang, Jiayi Sheng, Zeyu Zheng
Abstract: Existing reinforcement learning (RL)-based post-training methods for large language models have advanced rapidly, yet their design has largely been guided by heuristics rather than systematic theoretical principles. This gap limits our understanding of the properties of the gradient estimators and the associated optimization algorithms, thereby constraining opportunities to improve training stability and overall performance. In this work, we provide a unified theoretical framework that characterizes the statistical properties of commonly used policy-gradient estimators under mild assumptions. Our analysis establishes unbiasedness, derives exact variance expressions, and yields an optimization-loss upper bound that enables principled reasoning about learning dynamics. Building on these results, we prove convergence guarantees and derive an adaptive learning-rate schedule governed by the signal-to-noise ratio (SNR) of gradients. We further show that the variance-optimal baseline is a gradient-weighted estimator, offering a new principle for variance reduction and naturally enhancing stability beyond existing methods. These insights motivate Optimal Baseline and Learning-Rate Policy Optimization (OBLR-PO), an algorithm that jointly adapts learning rates and baselines in a theoretically grounded manner. Experiments on Qwen3-4B-Base and Qwen3-8B-Base demonstrate consistent gains over existing policy optimization methods, validating that our theoretical contributions translate into practical improvements in large-scale post-training.
Authors: Hao Zhang, Neil Jethani, Aahlad Puli, Leonid Garber, Lior Jankelson, Yindalon Aphinyanaphongs, Rajesh Ranganath
Abstract: Diabetes has a long asymptomatic period which can often remain undiagnosed for multiple years. In this study, we trained a deep learning model to detect new-onset diabetes using 12-lead ECG and readily available demographic information. To do so, we used retrospective data where patients have both a hemoglobin A1c and ECG measured. However, such patients may not be representative of the complete patient population. As part of the study, we proposed a methodology to evaluate our model in the target population by estimating the probability of receiving an A1c test and reweight the retrospective population to represent the general population. We also adapted an efficient algorithm to generate Shapley values for both ECG signals and demographic features at the same time for model interpretation. The model offers an automated, more accurate method for early diabetes detection compared to current screening efforts. Their potential use in wearable devices can facilitate large-scale, community-wide screening, improving healthcare outcomes.
Authors: Sarthak Kapoor, Harsh Vardhan, Umesh Timalsina, Sumit Kumar, Peter Volgyesi, Janos Sztipanovits
Abstract: High fidelity design evaluation processes such as Computational Fluid Dynamics and Finite Element Analysis are often replaced with data driven surrogates to reduce computational cost in engineering design optimization. However, building accurate surrogate models still requires a large number of expensive simulations. To address this challenge, we introduce epsilon HQS, a scalable active learning strategy that leverages a student teacher framework to train deep neural networks efficiently. Unlike Bayesian AL methods, which are computationally demanding with DNNs, epsilon HQS selectively queries informative samples to reduce labeling cost. Applied to CFD, FEA, and propeller design tasks, our method achieves higher accuracy under fixed labeling cost budgets.
Authors: Ye Zhu, Yu Wu, Duo Xu, Zhiwei Deng, Yan Yan, Olga Russakovsky
Abstract: In this work, we investigate the domain generalization capabilities of diffusion models in the context of synthesizing images that are distinct from the training data. Instead of fine-tuning, we tackle this challenge from a sampling-based perspective using frozen, pre-trained diffusion models. Specifically, we demonstrate that arbitrary out-of-domain (OOD) images establish Gaussian priors in the latent spaces of a given model after inversion, and that these priors are separable from those of the original training domain. This OOD latent property allows us to synthesize new images of the target unseen domain by discovering qualified OOD latent encodings in the inverted noisy spaces, without altering the pre-trained models. Our cross-model and cross-domain experiments show that the proposed sampling-based method can expand the latent space and generate unseen images without impairing the generation quality of the original domain. We also showcase a practical application of our approach using astrophysical data, highlighting the potential of this generalization paradigm in data-sparse fields such as scientific exploration.
Authors: Haoxuan Chen, Yinuo Ren, Lexing Ying, Grant M. Rotskoff
Abstract: Diffusion models have become a leading method for generative modeling of both image and scientific data. As these models are costly to train and \emph{evaluate}, reducing the inference cost for diffusion models remains a major goal. Inspired by the recent empirical success in accelerating diffusion models via the parallel sampling technique~\cite{shih2024parallel}, we propose to divide the sampling process into $\mathcal{O}(1)$ blocks with parallelizable Picard iterations within each block. Rigorous theoretical analysis reveals that our algorithm achieves $\widetilde{\mathcal{O}}(\mathrm{poly} \log d)$ overall time complexity, marking \emph{the first implementation with provable sub-linear complexity w.r.t. the data dimension $d$}. Our analysis is based on a generalized version of Girsanov's theorem and is compatible with both the SDE and probability flow ODE implementations. Our results shed light on the potential of fast and efficient sampling of high-dimensional data on fast-evolving modern large-memory GPU clusters.
Authors: Orazio Pinti, Jeremy M. Budd, Franca Hoffmann, Assad A. Oberai
Abstract: We present a novel probabilistic approach for generating multi-fidelity data while accounting for errors inherent in both low- and high-fidelity data. In this approach a graph Laplacian constructed from the low-fidelity data is used to define a multivariate Gaussian prior density for the coordinates of the true data points. In addition, few high-fidelity data points are used to construct a conjugate likelihood term. Thereafter, Bayes rule is applied to derive an explicit expression for the posterior density which is also multivariate Gaussian. The maximum \textit{a posteriori} (MAP) estimate of this density is selected to be the optimal multi-fidelity estimate. It is shown that the MAP estimate and the covariance of the posterior density can be determined through the solution of linear systems of equations. Thereafter, two methods, one based on spectral truncation and another based on a low-rank approximation, are developed to solve these equations efficiently. The multi-fidelity approach is tested on a variety of problems in solid and fluid mechanics with data that represents vectors of quantities of interest and discretized spatial fields in one and two dimensions. The results demonstrate that by utilizing a small fraction of high-fidelity data, the multi-fidelity approach can significantly improve the accuracy of a large collection of low-fidelity data points.
Authors: Mani Valleti, Aditya Raghavan, Sergei V. Kalinin
Abstract: Exploration of complex high-dimensional spaces presents significant challenges in fields such as molecular discovery, process optimization, and supply chain management. Genetic Algorithms (GAs), while offering significant power for creating new candidate spaces, often entail high computational demands due to the need for evaluation of each new proposed solution. On the other hand, Deep Kernel Learning (DKL) efficiently navigates the spaces of preselected candidate structures but lacks generative capabilities. This study introduces an approach that amalgamates the generative power of GAs to create new candidates with the efficiency of DKL-based surrogate models to rapidly ascertain the behavior of new candidate spaces. This DKL-GA framework can be further used to build Bayesian Optimization (BO) workflows. We demonstrate the effectiveness of this approach through the optimization of the FerroSIM model, showcasing its broad applicability to diverse challenges, including molecular discovery and battery charging optimization.
Authors: Simon Sinong Zhan, Philip Wang, Qingyuan Wu, Yixuan Wang, Ruochen Jiao, Chao Huang, Qi Zhu
Abstract: In this paper, we aim to tackle the limitation of the Adversarial Inverse Reinforcement Learning (AIRL) method in stochastic environments where theoretical results cannot hold and performance is degraded. To address this issue, we propose a novel method which infuses the dynamics information into the reward shaping with the theoretical guarantee for the induced optimal policy in the stochastic environments. Incorporating our novel model-enhanced rewards, we present a novel Model-Enhanced AIRL framework, which integrates transition model estimation directly into reward shaping. Furthermore, we provide a comprehensive theoretical analysis of the reward error bound and performance difference bound for our method. The experimental results in MuJoCo benchmarks show that our method can achieve superior performance in stochastic environments and competitive performance in deterministic environments, with significant improvement in sample efficiency, compared to existing baselines.
Authors: Angela van Sprang, Erman Acar, Willem Zuidema
Abstract: Mechanistic interpretability focuses on reverse engineering the internal mechanisms learned by neural networks. We extend our focus and propose to mechanistically forward engineer using our framework based on Concept Bottleneck Models. In the context of long-term time series forecasting, we modify the training objective to encourage a model to develop representations which are similar to predefined, interpretable concepts using Centered Kernel Alignment. This steers the bottleneck components to learn the predefined concepts, while allowing other components to learn other, undefined concepts. We apply the framework to the Vanilla Transformer, Autoformer and FEDformer, and present an in-depth analysis on synthetic data and on a variety of benchmark datasets. We find that the model performance remains mostly unaffected, while the model shows much improved interpretability. Additionally, we verify the interpretation of the bottleneck components with an intervention experiment using activation patching.
Authors: Abdelatif Hafid, Abderazzak Mouiha, Linglong Kong, Mohamed Rahouti, Maad Ebrahim, Mohamed Adel Serhani, Mohammed Aledhari
Abstract: Thanks to the high potential for profit, trading has become increasingly attractive to investors as the cryptocurrency and stock markets rapidly expand. However, because financial markets are intricate and dynamic, accurately predicting prices remains a significant challenge. The volatile nature of the cryptocurrency market makes it even harder for traders and investors to make decisions. This study presents a classification-based machine learning model to forecast the direction of the cryptocurrency market, i.e., whether prices will increase or decrease. The model is trained using historical data and important technical indicators such as the Moving Average Convergence Divergence, the Relative Strength Index, and the Bollinger Bands. We illustrate our approach with an empirical study of the closing price of Bitcoin. Several simulations, including a confusion matrix and Receiver Operating Characteristic curve, are used to assess the model's performance, and the results show a buy/sell signal accuracy of over 92\%. These findings demonstrate how machine learning models can assist investors and traders of cryptocurrencies in making wise/informed decisions in a very volatile market.
Authors: Suraj Kumar, Soumi Chattopadhyay, Chandranath Adak
Abstract: Quality-of-Service (QoS) prediction is a critical task in the service lifecycle, enabling precise and adaptive service recommendations by anticipating performance variations over time in response to evolving network uncertainties and user preferences. However, contemporary QoS prediction methods frequently encounter data sparsity and cold-start issues, which hinder accurate QoS predictions and limit the ability to capture diverse user preferences. Additionally, these methods often assume QoS data reliability, neglecting potential credibility issues such as outliers and the presence of greysheep users and services with atypical invocation patterns. Furthermore, traditional approaches fail to leverage diverse features, including domain-specific knowledge and complex higher-order patterns, essential for accurate QoS predictions. In this paper, we introduce a real-time, trust-aware framework for temporal QoS prediction to address the aforementioned challenges, featuring an end-to-end deep architecture called the Hypergraph Convoluted Transformer Network (HCTN). HCTN combines a hypergraph structure with graph convolution over hyper-edges to effectively address high-sparsity issues by capturing complex, high-order correlations. Complementing this, the transformer network utilizes multi-head attention along with parallel 1D convolutional layers and fully connected dense blocks to capture both fine-grained and coarse-grained dynamic patterns. Additionally, our approach includes a sparsity-resilient solution for detecting greysheep users and services, incorporating their unique characteristics to improve prediction accuracy. Trained with a robust loss function resistant to outliers, HCTN demonstrated state-of-the-art performance on the large-scale WSDREAM-2 datasets for response time and throughput.
Authors: Vivek Jayaram, Ira Kemelmacher-Shlizerman, Steven M. Seitz, John Thickstun
Abstract: We introduce Linearly Constrained Diffusion Implicit Models (CDIM), a fast and accurate approach to solving noisy linear inverse problems using diffusion models. Traditional diffusion-based inverse methods rely on numerous projection steps to enforce measurement consistency in addition to unconditional denoising steps. CDIM achieves a 10-50x reduction in projection steps by dynamically adjusting the number and size of projection steps to align a residual measurement energy with its theoretical distribution under the forward diffusion process. This adaptive alignment preserves measurement consistency while substantially accelerating constrained inference. For noise-free linear inverse problems, CDIM exactly satisfies the measurement constraints with few projection steps, even when existing methods fail. We demonstrate CDIM's effectiveness across a range of applications, including super-resolution, denoising, inpainting, deblurring, and 3D point cloud reprojection. Code and an interactive demo can be found on our project website.
Authors: Zixian Su, Jingwei Guo, Xi Yang, Qiufeng Wang, Kaizhu Huang
Abstract: Deploying deep models in real-world scenarios remains challenging due to significant performance drops under distribution shifts between training and deployment environments. Test-Time Adaptation (TTA) has recently emerged as a promising solution, enabling on-the-fly model adaptation. However, its effectiveness deteriorates in the presence of mixed distribution shifts -- common in practical settings -- where multiple target domains coexist. In this paper, we study TTA under mixed distribution shifts and move beyond conventional whole-batch adaptation paradigms. By revisiting distribution shifts from a spectral perspective, we find that the heterogeneity across latent domains is often pronounced in Fourier space. In particular, high-frequency components encode domain-specific variations, which facilitates clearer separation of samples from different distributions. Motivated by this observation, we propose to un-mix heterogeneous data streams using high-frequency domain cues, making diverse shift patterns more tractable. To this end, we propose Frequency-based Decentralized Adaptation (FreDA), a novel framework that decomposes globally heterogeneous data stream into locally homogeneous clusters in the Fourier space. It leverages decentralized learning and augmentation strategies to robustly adapt under mixed domain shifts. Extensive experiments across various environments (corrupted, natural, and medical) show the superiority of our method over the state-of-the-arts.
Authors: Xinyu Wang, Yiyang Peng, Wei Ma
Abstract: Ubiquitous mobile devices have catalyzed the development of vehicle crowd sensing (VCS). In particular, vehicle sensing systems show great potential in the flexible acquisition of spatio-temporal urban data through built-in sensors under diverse sensing scenarios. However, vehicle systems often exhibit biased coverage due to the heterogeneous nature of trip requests and routes. To achieve a high sensing coverage, a critical challenge lies in optimally relocating vehicles to minimize the divergence between vehicle distributions and target sensing distributions. Conventional approaches typically employ a two-stage predict-then-optimize (PTO) process: first predicting real-time vehicle distributions and subsequently generating an optimal relocation strategy based on the predictions. However, this approach can lead to suboptimal decision-making due to the propagation of errors from upstream prediction. To this end, we develop an end-to-end Smart Predict-then-Optimize (SPO) framework by integrating optimization into prediction within the deep learning architecture, and the entire framework is trained by minimizing the task-specific matching divergence rather than the upstream prediction error. Methodologically, we formulate the vehicle relocation problem by quadratic programming (QP) and incorporate a novel unrolling approach based on the Alternating Direction Method of Multipliers (ADMM) within the SPO framework to compute gradients of the QP layer, facilitating backpropagation and gradient-based optimization for end-to-end learning. The effectiveness of the proposed framework is validated by real-world taxi datasets in Hong Kong. Utilizing the alternating differentiation method, the general SPO framework presents a novel concept of addressing decision-making problems with uncertainty, demonstrating significant potential for advancing applications in intelligent transportation systems.
Authors: Diji Yang, Linda Zeng, Kezhen Chen, Yi Zhang
Abstract: While inference-time thinking allows Large Language Models (LLMs) to address complex problems, the extended thinking process can be unreliable or inconsistent because of the model's probabilistic nature, especially near its knowledge boundaries. Existing approaches attempt to mitigate this by having the model critique its own reasoning to make corrections. However, such self-critique inherits the same biases of the original output, known as the introspection illusion. Moving beyond such introspection and inspired by core methodologies in ethology, we propose an externalist three-step framework Distillation-Reinforcement-Reasoning (DRR). Rather than relying on a model's introspection, DRR evaluates its observable behaviors to provide corrective feedback. DRR first distills the reasoner's behavioral traces, then trains a lightweight, external Discriminative Model (DM). At inference time, this DM acts as a critic, identifying and rejecting suspicious reasoning steps. This external feedback compels the LLM to discard flawed pathways and explore alternatives, thereby enhancing reasoning quality without altering the base model. Experiments on multiple reasoning benchmarks show that our framework significantly outperforms prominent self-critique methods. Benefiting from a lightweight and annotation-free design, DRR offers a scalable and adaptable solution for improving the reliability of reasoning in a wide range of LLMs.
Authors: Rafael Elberg, Felipe del Rio, Mircea Petrache, Denis Parra
Abstract: Compositionality in knowledge and language--the ability to represent complex concepts as a combination of simpler ones--is a hallmark of human cognition and communication. Despite recent advances, deep neural networks still struggle to acquire this property reliably. Neural models for emergent communication look to endow artificial agents with compositional language by simulating the pressures that form human language. In this work, we introduce CELEBI (Compressive-Expressive Language Emergence through a discrete Bottleneck and Iterated learning), a novel self-supervised framework for inducing compositional representations through a reconstruction-based communication game between a sender and a receiver. Building on theories of language emergence and the iterated learning framework, we integrate three mechanisms that jointly promote compressibility, expressivity, and efficiency in the emergent language. First, Progressive Decoding incentivizes intermediate reasoning by requiring the receiver to produce partial reconstructions after each symbol. Second, Final-State Imitation trains successive generations of agents to imitate reconstructions rather than messages, enforcing a tighter communication bottleneck. Third, Pairwise Distance Maximization regularizes message diversity by encouraging high distances between messages, with formal links to entropy maximization. Our method significantly improves both the efficiency and compositionality of the learned messages on the Shapes3D and MPI3D datasets, surpassing prior discrete communication frameworks in both reconstruction accuracy and topographic similarity. This work provides new theoretical and empirical evidence for the emergence of structured, generalizable communication protocols from simplicity-based inductive biases.
Authors: Yinuo Ren, Haoxuan Chen, Yuchen Zhu, Wei Guo, Yongxin Chen, Grant M. Rotskoff, Molei Tao, Lexing Ying
Abstract: Discrete diffusion models have emerged as a powerful generative modeling framework for discrete data with successful applications spanning from text generation to image synthesis. However, their deployment faces challenges due to the high dimensionality of the state space, necessitating the development of efficient inference algorithms. Current inference approaches mainly fall into two categories: exact simulation and approximate methods such as $\tau$-leaping. While exact methods suffer from unpredictable inference time and redundant function evaluations, $\tau$-leaping is limited by its first-order accuracy. In this work, we advance the latter category by tailoring the first extension of high-order numerical inference schemes to discrete diffusion models, enabling larger step sizes while reducing error. We rigorously analyze the proposed schemes and establish the second-order accuracy of the $\theta$-Trapezoidal method in KL divergence. Empirical evaluations on GSM8K-level math-reasoning, GPT-2-level text, and ImageNet-level image generation tasks demonstrate that our method achieves superior sample quality compared to existing approaches under equivalent computational constraints, with consistent performance gains across models ranging from 200M to 8B. Our code is available at https://github.com/yuchen-zhu-zyc/DiscreteFastSolver.
Authors: Matthias Wolff, Florian Eilers, Xiaoyi Jiang
Abstract: In this work we propose CVKAN, a complex-valued Kolmogorov-Arnold Network (KAN), to join the intrinsic interpretability of KANs and the advantages of Complex-Valued Neural Networks (CVNNs). We show how to transfer a KAN and the necessary associated mechanisms into the complex domain. To confirm that CVKAN meets expectations we conduct experiments on symbolic complex-valued function fitting and physically meaningful formulae as well as on a more realistic dataset from knot theory. Our proposed CVKAN is more stable and performs on par or better than real-valued KANs while requiring less parameters and a shallower network architecture, making it more explainable.
Authors: Victor Boone, Bruno Gaujal
Abstract: In average reward Markov decision processes, state-of-the-art algorithms for regret minimization follow a well-established framework: They are model-based, optimistic and episodic. First, they maintain a confidence region from which optimistic policies are computed using a well-known subroutine called Extended Value Iteration (EVI). Second, these policies are used over time windows called episodes, each ended by the Doubling Trick (DT) rule or a variant thereof. In this work, without modifying EVI, we show that there is a significant advantage in replacing (DT) by another simple rule, that we call the Vanishing Multiplicative (VM) rule. When managing episodes with (VM), the algorithm's regret is, both in theory and in practice, as good if not better than with (DT), while the one-shot behavior is greatly improved. More specifically, the management of bad episodes (when sub-optimal policies are being used) is much better under (VM) than (DT) by making the regret of exploration logarithmic rather than linear. These results are made possible by a new in-depth understanding of the contrasting behaviors of confidence regions during good and bad episodes.
Authors: Sajjad Hashemian
Abstract: In this paper, we propose a method for density-based clustering in high-dimensional spaces that combines Locality-Sensitive Hashing (LSH) with the Quick Shift algorithm. The Quick Shift algorithm, known for its hierarchical clustering capabilities, is extended by integrating approximate Kernel Density Estimation (KDE) using LSH to provide efficient density estimates. The proposed approach achieves almost linear time complexity while preserving the consistency of density-based clustering.
Authors: Eshed Gal, Moshe Eliasof, Carola-Bibiane Sch\"onlieb, Ivan I. Kyrchei, Eldad Haber, Eran Treister
Abstract: Graph Neural Networks (GNNs) have become powerful tools for learning from graph-structured data, finding applications across diverse domains. However, as graph sizes and connectivity increase, standard GNN training methods face significant computational and memory challenges, limiting their scalability and efficiency. In this paper, we present a novel framework for efficient multiscale training of GNNs. Our approach leverages hierarchical graph representations and subgraphs, enabling the integration of information across multiple scales and resolutions. By utilizing coarser graph abstractions and subgraphs, each with fewer nodes and edges, we significantly reduce computational overhead during training. Building on this framework, we propose a suite of scalable training strategies, including coarse-to-fine learning, subgraph-to-full-graph transfer, and multiscale gradient computation. We also provide some theoretical analysis of our methods and demonstrate their effectiveness across various datasets and learning tasks. Our results show that multiscale training can substantially accelerate GNN training for large scale problems while maintaining, or even improving, predictive performance.
Authors: Junyi Zhu, Ruicong Yao, Taha Ceritli, Savas Ozkan, Matthew B. Blaschko, Eunchung Noh, Jeongwon Min, Cho Jung Min, Mete Ozay
Abstract: Current network training paradigms primarily focus on either centralized or decentralized data regimes. However, in practice, data availability often exhibits a hybrid nature, where both regimes coexist. This hybrid setting presents new opportunities for model training, as the two regimes offer complementary trade-offs: decentralized data is abundant but subject to heterogeneity and communication constraints, while centralized data, though limited in volume and potentially unrepresentative, enables better curation and high-throughput access. Despite its potential, effectively combining these paradigms remains challenging, and few frameworks are tailored to hybrid data regimes. To address this, we propose a novel framework that constructs a model atlas from decentralized models and leverages centralized data to refine a global model within this structured space. The refined model is then used to reinitialize the decentralized models. Our method synergizes federated learning (to exploit decentralized data) and model merging (to utilize centralized data), enabling effective training under hybrid data availability. Theoretically, we show that our approach achieves faster convergence than methods relying solely on decentralized data, due to variance reduction in the merging process. Extensive experiments demonstrate that our framework consistently outperforms purely centralized, purely decentralized, and existing hybrid-adaptable methods. Notably, our method remains robust even when the centralized and decentralized data domains differ or when decentralized data contains noise, significantly broadening its applicability.
Authors: Zhaorun Chen, Mintong Kang, Bo Li
Abstract: Autonomous agents powered by foundation models have seen widespread adoption across various real-world applications. However, they remain highly vulnerable to malicious instructions and attacks, which can result in severe consequences such as privacy breaches and financial losses. More critically, existing guardrails for LLMs are not applicable due to the complex and dynamic nature of agents. To tackle these challenges, we propose ShieldAgent, the first guardrail agent designed to enforce explicit safety policy compliance for the action trajectory of other protected agents through logical reasoning. Specifically, ShieldAgent first constructs a safety policy model by extracting verifiable rules from policy documents and structuring them into a set of action-based probabilistic rule circuits. Given the action trajectory of the protected agent, ShieldAgent retrieves relevant rule circuits and generates a shielding plan, leveraging its comprehensive tool library and executable code for formal verification. In addition, given the lack of guardrail benchmarks for agents, we introduce ShieldAgent-Bench, a dataset with 3K safety-related pairs of agent instructions and action trajectories, collected via SOTA attacks across 6 web environments and 7 risk categories. Experiments show that ShieldAgent achieves SOTA on ShieldAgent-Bench and three existing benchmarks, outperforming prior methods by 11.3% on average with a high recall of 90.1%. Additionally, ShieldAgent reduces API queries by 64.7% and inference time by 58.2%, demonstrating its high precision and efficiency in safeguarding agents.
Authors: Le Minh Long Nguyen, Edric Ong, Matthew Eng, Yuhao Zhang, Hiu Yung Wong
Abstract: In this paper, we demonstrate the feasibility of performing automatic Technology Computer Aided Design (TCAD) parameter calibration and extraction using machine learning, with the machine trained solely by TCAD simulation data. The methodology is validated using experimental data. Schottky Barrier Diodes (SBDs) with different effective anode workfunction (WF) are fabricated with emerging ultra-wide bandgap material, Gallium Oxide (Ga2O3), and are measured at various temperatures (T). Their current voltage curves are used for automatic Ga2O3 Philips Unified Mobility (PhuMob) model parameters calibration. Five critical PhuMob parameters were calibrated. The machine consists of an autoencoder and a neural network and is trained solely by TCAD simulation data with variations in WF, T, and the five PhuMob parameters (seven variations in total). Then, Ga2O3 PhuMob parameters are extracted from the noisy experimental curves. Subsequent TCAD simulation using the extracted parameters shows that the quality of the parameters is as good as an expert's calibration at the pre-turned on regime, but not in the on state regime. By using a simple physics-informed neural network, the machine performs as well as the human expert in all regimes.
Authors: Yuxuan Tian, Zihan Wang, Yebo Peng, Aomufei Yuan, Zhiming Wang, Bairen Yi, Xin Liu, Yong Cui, Tong Yang
Abstract: Efficient inference of large language models (LLMs) is hindered by an ever-growing key-value (KV) cache, making KV cache compression a critical research direction. Traditional methods selectively evict less important KV cache entries, which leads to information loss and hallucinations. Recently, merging-based strategies have been explored to retain more information by merging KV pairs that would be discarded; however, these existing approaches inevitably introduce inconsistencies in attention distributions before and after merging, causing degraded generation quality. To overcome this challenge, we propose KeepKV, a novel adaptive KV cache merging method designed to preserve performance under strict memory constraints, achieving single-step lossless compression and providing error bounds for multi-step compression. KeepKV introduces the Electoral Votes mechanism that records merging history and adaptively adjusts attention scores. Moreover, it further leverages a novel Zero Inference-Perturbation Merging method, compensating for attention loss resulting from cache merging. Extensive experiments on various benchmarks and LLM architectures demonstrate that KeepKV substantially reduces memory usage while successfully retaining essential context information, achieving over 2x inference throughput improvement and maintaining superior generation quality even with only 10% KV cache budgets.
Authors: Yuan Zhou, Jiachen Zhong, Xinli Shi, Guanghui Wen, Xinghuo Yu
Abstract: Composite federated learning offers a general framework for solving machine learning problems with additional regularization terms. However, existing methods often face significant limitations: many require clients to perform computationally expensive proximal operations, and their performance is frequently vulnerable to data heterogeneity. To overcome these challenges, we propose a novel composite federated learning algorithm called \textbf{FedCanon}, designed to solve the optimization problems comprising a possibly non-convex loss function and a weakly convex, potentially non-smooth regularization term. By decoupling proximal mappings from local updates, FedCanon requires only a single proximal evaluation on the server per iteration, thereby reducing the overall proximal computation cost. Concurrently, it integrates control variables into local updates to mitigate the client drift arising from data heterogeneity. The entire architecture avoids the complex subproblems of primal-dual alternatives. The theoretical analysis provides the first rigorous convergence guarantees for this proximal-skipping framework in the general non-convex setting. It establishes that FedCanon achieves a sublinear convergence rate, and a linear rate under the Polyak-{\L}ojasiewicz condition, without the restrictive bounded heterogeneity assumption. Extensive experiments demonstrate that FedCanon outperforms the state-of-the-art methods in terms of both accuracy and computational efficiency, particularly under heterogeneous data distributions.
Authors: Ming Xu, Jinrong Xiang, Zilong Xie, Xiangfu Meng
Abstract: Existing learning-to-rank methods for road networks often fail to incorporate origin-destination (OD) flows and route information, limiting their ability to model long-range spatial dependencies. To address this gap, we propose HetGL2R, a heterogeneous graph learning framework for ranking road-segment importance. HetGL2R builds a tripartite graph that unifies OD flows, routes, and network topology, and further introduces attribute-guided graphs that elevate node attributes into explicit nodes to model functional similarity. A heterogeneous joint random walk algorithm (HetGWalk) samples both graph types to generate context-rich node sequences. These sequences are encoded with a Transformer to learn embeddings that capture long-range structural dependencies driven by OD demand and route configuration, as well as functional associations derived from attribute similarity. Finally, a listwise ranking strategy with a KL-divergence loss evaluates and ranks segment importance. Experiments on three SUMO-generated simulated networks of different scales show that, against state-of-the-art methods, HetGL2R achieves average improvements of approximately 7.52%, 4.40% and 3.57% in ranking performance.
Authors: Sumit Mamtani, Maitreya Sonawane
Abstract: Accurately predicting short-term precipitation is critical for weather-sensitive applications such as disaster management, aviation, and urban planning. Traditional numerical weather prediction can be computationally intensive at high resolution and short lead times. In this work, we propose a lightweight UNet-based encoder-decoder augmented with axial-attention blocks that attend along image rows and columns to capture long-range spatial interactions, while temporal context is provided by conditioning on multiple past radar frames. Our hybrid architecture captures both local and long-range spatio-temporal dependencies from radar image sequences, enabling fixed lead-time precipitation nowcasting with modest compute. Experimental results on a preprocessed subset of the HKO-7 radar dataset demonstrate that our model outperforms ConvLSTM, pix2pix-style cGANs, and a plain UNet in pixel-fidelity metrics, reaching PSNR 47.67 and SSIM 0.9943. We report PSNR/SSIM here; extending evaluation to meteorology-oriented skill measures (e.g., CSI/FSS) is left to future work. The approach is simple, scalable, and effective for resource-constrained, real-time forecasting scenarios.
Authors: Akira Tamamori
Abstract: Kernel-based learning methods such as Kernel Logistic Regression (KLR) can substantially increase the storage capacity of Hopfield networks, but the principles governing their performance and stability remain largely uncharacterized. This paper presents a comprehensive quantitative analysis of the attractor landscape in KLR-trained networks to establish a solid foundation for their design and application. Through extensive, statistically validated simulations, we address critical questions of generality, scalability, and robustness. Our comparative analysis shows that KLR and Kernel Ridge Regression (KRR) exhibit similarly high storage capacities and clean attractor landscapes under typical operating conditions, suggesting that this behavior is a general property of kernel regression methods, although KRR is computationally much faster. We identify a non-trivial, scale-dependent law for the kernel width $\gamma$, demonstrating that optimal capacity requires $\gamma$ to be scaled such that $\gamma N$ increases with network size $N$. This finding implies that larger networks require more localized kernels, in which each pattern's influence is more spatially confined, to mitigate inter-pattern interference. Under this optimized scaling, we provide clear evidence that storage capacity scales linearly with network size~($P \propto N$). Furthermore, our sensitivity analysis shows that performance is remarkably robust with respect to the choice of the regularization parameter $\lambda$. Collectively, these findings provide a concise set of empirical principles for designing high-capacity and robust associative memories and clarify the mechanisms that enable kernel methods to overcome the classical limitations of Hopfield-type models.
Authors: Soumen Kumar Mondal, Prateek Chanda, Akshit Varmora, Ganesh Ramakrishnan
Abstract: Multi-label classification (MLC) often suffers from performance disparities across labels. We propose \textbf{FairPO}, a framework combining preference-based loss and group-robust optimization to improve fairness by targeting underperforming labels. FairPO partitions labels into a \textit{privileged} set for targeted improvement and a \textit{non-privileged} set to maintain baseline performance. For privileged labels, a DPO-inspired preference loss addresses hard examples by correcting ranking errors between true labels and their confusing counterparts. A constrained objective maintains performance for non-privileged labels, while a Group Robust Preference Optimization (GRPO) formulation adaptively balances both objectives to mitigate bias. We also demonstrate FairPO's versatility with reference-free variants using Contrastive (CPO) and Simple (SimPO) Preference Optimization.
Authors: Arthur Corr\^ea, Alexandre Jesus, Paulo Nascimento, Crist\'ov\~ao Silva, Samuel Moniz
Abstract: In this work, we conduct an extensive empirical study of several deep reinforcement learning algorithms on two challenging combinatorial optimization problems: the job-shop and flexible job-shop scheduling problems, both fundamental challenges with multiple industrial applications. Broadly, deep reinforcement learning algorithms fall into two categories: policy-gradient and value-based. While value-based algorithms have achieved notable success in domains such as the Arcade Learning Environment, the combinatorial optimization community has predominantly favored policy-gradient algorithms, often overlooking the potential of value-based alternatives. From our results, value-based algorithms demonstrated a lower variance and a more stable convergence profile compared to policy-gradient ones. Moreover, they achieved superior cross-size and cross-distribution generalization, that is, effectively solving instances that are substantially larger or structurally distinct from those seen during training. Finally, our analysis also suggests that the relative performance of each category of algorithms may be dependent on structural properties of the problem, such as problem flexibility and instance size. Overall, our findings challenge the prevailing assumption that policy-gradient algorithms are inherently superior for combinatorial optimization. We show instead that value-based algorithms can match or even surpass the performance of policy-gradient algorithms, suggesting that they deserve greater attention from the combinatorial optimization community. Our code is openly available at: https://github.com/AJ-Correa/Unraveling-the-Rainbow
Authors: Chenhui Xu, Dancheng Liu, Amir Nassereldine, Jinjun Xiong
Abstract: Physics Informed Neural Networks (PINNs) often exhibit failure modes in which the PDE residual loss converges while the solution error stays large, a phenomenon traditionally blamed on local optima separated from the true solution by steep loss barriers. We challenge this understanding by demonstrate that the real culprit is insufficient arithmetic precision: with standard FP32, the LBFGS optimizer prematurely satisfies its convergence test, freezing the network in a spurious failure phase. Simply upgrading to FP64 rescues optimization, enabling vanilla PINNs to solve PDEs without any failure modes. These results reframe PINN failure modes as precision induced stalls rather than inescapable local minima and expose a three stage training dynamic unconverged, failure, success whose boundaries shift with numerical precision. Our findings emphasize that rigorous arithmetic precision is the key to dependable PDE solving with neural networks.
Authors: Francesco Innocenti, El Mehdi Achour, Christopher L. Buckley
Abstract: The biological implausibility of backpropagation (BP) has motivated many alternative, brain-inspired algorithms that attempt to rely only on local information, such as predictive coding (PC) and equilibrium propagation. However, these algorithms have notoriously struggled to train very deep networks, preventing them from competing with BP in large-scale settings. Indeed, scaling PC networks (PCNs) has recently been posed as a challenge for the community (Pinchetti et al., 2024). Here, we show that 100+ layer PCNs can be trained reliably using a Depth-$\mu$P parameterisation (Yang et al., 2023; Bordelon et al., 2023) which we call "$\mu$PC". By analysing the scaling behaviour of PCNs, we reveal several pathologies that make standard PCNs difficult to train at large depths. We then show that, despite addressing only some of these instabilities, $\mu$PC allows stable training of very deep (up to 128-layer) residual networks on simple classification tasks with competitive performance and little tuning compared to current benchmarks. Moreover, $\mu$PC enables zero-shot transfer of both weight and activity learning rates across widths and depths. Our results serve as a first step towards scaling PC to more complex architectures and have implications for other local algorithms. Code for $\mu$PC is made available as part of a JAX library for PCNs.
Authors: Peiran Sun
Abstract: Adversarial attack reveals the vulnerability of deep learning models. It is assumed that high curvature may give rise to rough decision boundary and thus result in less robust models. However, the most commonly used \textit{curvature} is the curvature of loss function, scores or other parameters from within the model as opposed to decision boundary curvature, since the former can be relatively easily formed using second order derivative. In this paper, we propose a new query-efficient method, dynamic curvature estimation (DCE), to estimate the decision boundary curvature in a black-box setting. Our approach is based on CGBA, a black-box adversarial attack. By performing DCE on a wide range of classifiers, we discovered, statistically, a connection between decision boundary curvature and adversarial robustness. We also propose a new attack method, curvature dynamic black-box attack (CDBA) with improved performance using the estimated curvature.
Authors: Qiong Zhang, Yan Shuo Tan, Qinglong Tian, Pengfei Li
Abstract: Hollmann et al. (Nature 637 (2025) 319-326) recently introduced TabPFN, a transformer-based deep learning model for regression and classification on tabular data, which they claim "outperforms all previous methods on datasets with up to 10,000 samples by a wide margin, using substantially less training time." Furthermore, they have called TabPFN a "foundation model" for tabular data, as it can support "data generation, density estimation, learning reusable embeddings and fine-tuning". In this paper, we provide a tailored explanation of how TabPFN works for a statistics audience, by emphasizing its interpretation as approximate Bayesian inference. We then explore the significance of TabPFN to the field of statistics: We show that an out-of-the-box application of TabPFN can sometimes outperform specialized state-of-the-art methods for semi-supervised parameter estimation, prediction under covariate shift, and heterogeneous treatment effect estimation. As a partial explanation for the predictive effectiveness of TabPFN, we show that it can simultaneously adapt to both nonparametric structure and parametric structure, for instance, sometimes outperforming LASSO even when assumptions are correctly specified. All experiments can be reproduced using the code provided at https://github.com/qinglong-tian/tabpfn_study (https://github.com/qinglong-tian/tabpfn_study).
URLs: https://github.com/qinglong-tian/tabpfn_study, https://github.com/qinglong-tian/tabpfn_study).
Authors: Zhen Xiang, Aliyah R. Hsu, Austin V. Zane, Aaron E. Kornblith, Margaret J. Lin-Martore, Jasmanpreet C. Kaur, Vasuda M. Dokiparthi, Bo Li, Bin Yu
Abstract: Clinical decision-making is inherently complex and fast-paced, particularly in emergency departments (EDs) where critical, rapid and high-stakes decisions are made. Clinical Decision Rules (CDRs) are standardized evidence-based tools that combine signs, symptoms, and clinical variables into decision trees to make consistent and accurate diagnoses. CDR usage is often hindered by the clinician's cognitive load, limiting their ability to quickly recall and apply the appropriate rules. We introduce CDR-Agent, a novel LLM-based system designed to enhance ED decision-making by autonomously identifying and applying the most appropriate CDRs based on unstructured clinical notes. To validate CDR-Agent, we curated two novel ED datasets: synthetic and CDR-Bench, although CDR-Agent is applicable to non ED clinics. CDR-Agent achieves a 56.3\% (synthetic) and 8.7\% (CDR-Bench) accuracy gain relative to the standalone LLM baseline in CDR selection. Moreover, CDR-Agent significantly reduces computational overhead. Using these datasets, we demonstrated that CDR-Agent not only selects relevant CDRs efficiently, but makes cautious yet effective imaging decisions by minimizing unnecessary interventions while successfully identifying most positively diagnosed cases, outperforming traditional LLM prompting approaches. Code for our work can be found at: https://github.com/zhenxianglance/medagent-cdr-agent
Authors: Pirzada Suhail, Rehna Afroz, Gouranga Bala, Amit Sethi
Abstract: Out-of-distribution (OOD) detection and uncertainty estimation (UE) are critical components for building safe machine learning systems, especially in real-world scenarios where unexpected inputs are inevitable. However the two problems have, until recently, separately been addressed. In this work, we propose a novel framework that combines network inversion with classifier training to simultaneously address both OOD detection and uncertainty estimation. For a standard n-class classification task, we extend the classifier to an (n+1)-class model by introducing a "garbage" class, initially populated with random gaussian noise to represent outlier inputs. After each training epoch, we use network inversion to reconstruct input images corresponding to all output classes that initially appear as noisy and incoherent and are therefore excluded to the garbage class for retraining the classifier. This cycle of training, inversion, and exclusion continues iteratively till the inverted samples begin to resemble the in-distribution data more closely, with a significant drop in the uncertainty, suggesting that the classifier has learned to carve out meaningful decision boundaries while sanitising the class manifolds by pushing OOD content into the garbage class. During inference, this training scheme enables the model to effectively detect and reject OOD samples by classifying them into the garbage class. Furthermore, the confidence scores associated with each prediction can be used to estimate uncertainty for both in-distribution and OOD inputs. Our approach is scalable, interpretable, and does not require access to external OOD datasets or post-hoc calibration techniques while providing a unified solution to the dual challenges of OOD detection and uncertainty estimation.
Authors: Weebum Yoo, Sung Whan Yoon
Abstract: Model robustness indicates a model's capability to generalize well on unforeseen distributional shifts, including data corruption, adversarial attacks, and domain shifts. Data augmentation is one of the prevalent and effective ways to enhance robustness. Despite the great success of augmentations in different fields, a general theoretical understanding of their efficacy in improving model robustness is lacking. We offer a unified theoretical framework to clarify how augmentations can enhance model robustness through the lens of loss surface flatness and PAC generalization bound. Our work diverges from prior studies in that our analysis i) broadly encompasses much of the existing augmentation methods, and ii) is not limited to specific types of distribution shifts like adversarial attacks. We confirm our theories through simulations on the existing common corruption and adversarial robustness benchmarks based on the CIFAR and ImageNet datasets, as well as domain generalization benchmarks including PACS and OfficeHome.
Authors: Toby Boyne, Juan S. Campos, Becky D. Langdon, Jixiang Qing, Yilin Xie, Shiqiang Zhang, Calvin Tsay, Ruth Misener, Daniel W. Davies, Kim E. Jelfs, Sarah Boyall, Thomas M. Dixon, Linden Schrecker, Jose Pablo Folch
Abstract: Machine learning has promised to change the landscape of laboratory chemistry, with impressive results in molecular property prediction and reaction retro-synthesis. However, chemical datasets are often inaccessible to the machine learning community as they tend to require cleaning, thorough understanding of the chemistry, or are simply not available. In this paper, we introduce a novel dataset for yield prediction, providing the first-ever transient flow dataset for machine learning benchmarking, covering over 1200 process conditions. While previous datasets focus on discrete parameters, our experimental set-up allow us to sample a large number of continuous process conditions, generating new challenges for machine learning models. We focus on solvent selection, a task that is particularly difficult to model theoretically and therefore ripe for machine learning applications. We showcase benchmarking for regression algorithms, transfer-learning approaches, feature engineering, and active learning, with important applications towards solvent replacement and sustainable manufacturing.
Authors: Defang Chen, Zhenyu Zhou, Can Wang, Siwei Lyu
Abstract: Diffusion-based generative models employ stochastic differential equations (SDEs) and their equivalent probability flow ordinary differential equations (ODEs) to establish a smooth transformation between complex high-dimensional data distributions and tractable prior distributions. In this paper, we reveal a striking geometric regularity in the deterministic sampling dynamics of diffusion generative models: each simulated sampling trajectory along the gradient field lies within an extremely low-dimensional subspace, and all trajectories exhibit an almost identical boomerang shape, regardless of the model architecture, applied conditions, or generated content. We characterize several intriguing properties of these trajectories, particularly under closed-form solutions based on kernel-estimated data modeling. We also demonstrate a practical application of the discovered trajectory regularity by proposing a dynamic programming-based scheme to better align the sampling time schedule with the underlying trajectory structure. This simple strategy requires minimal modification to existing deterministic numerical solvers, incurs negligible computational overhead, and achieves superior image generation performance, especially in regions with only 5 - 10 function evaluations.
Authors: Ella Miray Rajaonson, Mahyar Rajabi Kochi, Luis Martin Mejia Mendoza, Seyed Mohamad Moosavi, Benjamin Sanchez-Lengeling
Abstract: Developing improved predictive models for multi-molecular systems is crucial, as nearly every chemical product used results from a mixture of chemicals. While being a vital part of the industry pipeline, the chemical mixture space remains relatively unexplored by the Machine Learning community. In this paper, we introduce CheMixHub, a holistic benchmark for molecular mixtures, covering a corpus of 11 chemical mixtures property prediction tasks, from drug delivery formulations to battery electrolytes, totalling approximately 500k data points gathered and curated from 7 publicly available datasets. CheMixHub introduces various data splitting techniques to assess context-specific generalization and model robustness, providing a foundation for the development of predictive models for chemical mixture properties. Furthermore, we map out the modelling space of deep learning models for chemical mixtures, establishing initial benchmarks for the community. This dataset has the potential to accelerate chemical mixture development, encompassing reformulation, optimization, and discovery. The dataset and code for the benchmarks can be found at: https://github.com/chemcognition-lab/chemixhub
Authors: Filip Sondej, Yushi Yang, Miko{\l}aj Kniejski, Marcel Windys
Abstract: Language models can retain dangerous knowledge and skills even after extensive safety fine-tuning, posing both misuse and misalignment risks. Recent studies show that even specialized unlearning methods can be easily reversed. To address this, we systematically evaluate many existing and novel components of unlearning methods and identify ones crucial for irreversible unlearning. We introduce Disruption Masking, a technique in which we only allow updating weights, where the signs of the unlearning gradient and the retaining gradient are the same. This ensures all updates are non-disruptive. Additionally, we identify the need for normalizing the unlearning gradients, and also confirm the usefulness of meta-learning. We combine these insights into MUDMAN (Meta-Unlearning with Disruption Masking and Normalization) and validate its effectiveness at preventing the recovery of dangerous capabilities. MUDMAN outperforms the prior TAR method by 40%, setting a new state-of-the-art for robust unlearning.
Authors: Thomas M\"ollenhoff, Siddharth Swaroop, Finale Doshi-Velez, Mohammad Emtiyaz Khan
Abstract: We propose a new Bayesian approach to derive and extend the federated Alternating Direction Method of Multipliers (ADMM). We show that the solutions of variational-Bayesian objectives are associated with a duality structure that not only resembles ADMM but also extends it. For example, ADMM-like updates are recovered when the objective is optimized over the isotropic-Gaussian family, and new non-trivial extensions are obtained for other more flexible exponential families. Examples include a Newton-like variant that converges in one step on quadratics and an Adam-like variant called IVON-ADMM that has the same cost as Adam but yields up to 7% accuracy boosts in heterogeneous deep learning. Our work opens a new direction to use Bayes to extend ADMM and other primal-dual methods.
Authors: Marco Aruta, Ciro Listone, Giuseppe Murano, Aniello Murano
Abstract: Leukemia diagnosis and monitoring rely increasingly on high-throughput image data, yet conventional clustering methods lack the flexibility to accommodate evolving cellular patterns and quantify uncertainty in real time. We introduce Adaptive and Dynamic Neuro-Fuzzy Clustering, a novel streaming-capable framework that combines Convolutional Neural Network-based feature extraction with an online fuzzy clustering engine. ADNF initializes soft partitions via Fuzzy C-Means, then continuously updates micro-cluster centers, densities, and fuzziness parameters using a Fuzzy Temporal Index (FTI) that measures entropy evolution. A topology refinement stage performs density-weighted merging and entropy-guided splitting to guard against over- and under-segmentation. On the C-NMC leukemia microscopy dataset, our tool achieves a silhouette score of 0.51, demonstrating superior cohesion and separation over static baselines. The method's adaptive uncertainty modeling and label-free operation hold immediate potential for integration within the INFANT pediatric oncology network, enabling scalable, up-to-date support for personalized leukemia management.
Authors: Emmeran Johnson, David Mart\'inez-Rubio, Ciara Pike-Burke, Patrick Rebeschini
Abstract: We study online convex optimization on $\ell_p$-balls in $\mathbb{R}^d$ for $p > 2$. While always sub-linear, the optimal regret exhibits a shift between the high-dimensional setting ($d > T$), when the dimension $d$ is greater than the time horizon $T$ and the low-dimensional setting ($d \leq T$). We show that Follow-the-Regularised-Leader (FTRL) with time-varying regularisation which is adaptive to the dimension regime is anytime optimal for all dimension regimes. Motivated by this, we ask whether it is possible to obtain anytime optimality of FTRL with fixed non-adaptive regularisation. Our main result establishes that for separable regularisers, adaptivity in the regulariser is necessary, and that any fixed regulariser will be sub-optimal in one of the two dimension regimes. Finally, we provide lower bounds which rule out sub-linear regret bounds for the linear bandit problem in sufficiently high-dimension for all $\ell_p$-balls with $p \geq 1$.
Authors: Charles Arnal, Ga\"etan Narozniak, Vivien Cabannes, Yunhao Tang, Julia Kempe, Remi Munos
Abstract: Reinforcement learning (RL) is increasingly used to align large language models (LLMs). Off-policy methods offer greater implementation simplicity and data efficiency than on-policy techniques, but often result in suboptimal performance. In this work, we study the intermediate range of algorithms between off-policy RL and supervised fine-tuning by analyzing a simple off-policy REINFORCE algorithm, where the advantage is defined as $A=r-V$, with $r$ a reward and $V$ some tunable baseline. Intuitively, lowering $V$ emphasizes high-reward samples, while raising it penalizes low-reward ones more heavily. We first provide a theoretical analysis of this off-policy REINFORCE algorithm, showing that when the baseline $V$ lower-bounds the expected reward, the algorithm enjoys a policy improvement guarantee. Our analysis reveals that while on-policy updates can safely leverage both positive and negative signals, off-policy updates benefit from focusing more on positive rewards than on negative ones. We validate our findings experimentally in a controlled stochastic bandit setting and through fine-tuning state-of-the-art LLMs on reasoning tasks.
Authors: Jan Kompatscher, Danqing Shi, Giovanna Varni, Tino Weinkauf, Antti Oulasvirta
Abstract: Reinforcement learning from human feedback (RLHF) has emerged as a key enabling technology for aligning AI behaviour with human preferences. The traditional way to collect data in RLHF is via pairwise comparisons: human raters are asked to indicate which one of two samples they prefer. We present an interactive visualisation that better exploits the human visual ability to compare and explore whole groups of samples. The interface is comprised of two linked views: 1) an exploration view showing a contextual overview of all sampled behaviours organised in a hierarchical clustering structure; and 2) a comparison view displaying two selected groups of behaviours for user queries. Users can efficiently explore large sets of behaviours by iterating between these two views. Additionally, we devised an active learning approach suggesting groups for comparison. As shown by our evaluation in six simulated robotics tasks, our approach increases the final rewards by 69.34%. It leads to lower error rates and better policies. We open-source the code that can be easily integrated into the RLHF training loop, supporting research on human-AI alignment.
Authors: Bogdan Kulynych, Juan Felipe Gomez, Georgios Kaissis, Jamie Hayes, Borja Balle, Flavio P. Calmon, Jean Louis Raisaro
Abstract: Differentially private (DP) mechanisms are difficult to interpret and calibrate because existing methods for mapping standard privacy parameters to concrete privacy risks -- re-identification, attribute inference, and data reconstruction -- are both overly pessimistic and inconsistent. In this work, we use the hypothesis-testing interpretation of DP ($f$-DP), and determine that bounds on attack success can take the same unified form across re-identification, attribute inference, and data reconstruction risks. Our unified bounds are (1) consistent across a multitude of attack settings, and (2) tunable, enabling practitioners to evaluate risk with respect to arbitrary, including worst-case, levels of baseline risk. Empirically, our results are tighter than prior methods using $\varepsilon$-DP, R\'enyi DP, and concentrated DP. As a result, calibrating noise using our bounds can reduce the required noise by 20% at the same risk level, which yields, e.g., an accuracy increase from 52% to 70% in a text classification task. Overall, this unifying perspective provides a principled framework for interpreting and calibrating the degree of protection in DP against specific levels of re-identification, attribute inference, or data reconstruction risk.
Authors: Zhenghan Fang, Mateo D\'iaz, Sam Buchanan, Jeremias Sulam
Abstract: Diffusion models have quickly become some of the most popular and powerful generative models for high-dimensional data. The key insight that enabled their development was the realization that access to the score -- the gradient of the log-density at different noise levels -- allows for sampling from data distributions by solving a reverse-time stochastic differential equation (SDE) via forward discretization, and that popular denoisers allow for unbiased estimators of this score. In this paper, we demonstrate that an alternative, backward discretization of these SDEs, using proximal maps in place of the score, leads to theoretical and practical benefits. We leverage recent results in proximal matching to learn proximal operators of the log-density and, with them, develop Proximal Diffusion Models (ProxDM). Theoretically, we prove that $\widetilde{O}(d/\sqrt{\varepsilon})$ steps suffice for the resulting discretization to generate an $\varepsilon$-accurate distribution w.r.t. the KL divergence. Empirically, we show that two variants of ProxDM achieve significantly faster convergence within just a few sampling steps compared to conventional score-matching methods.
Authors: Xin Wang (Jeff), R. Tyrrell Rockafellar (Jeff), Xuegang (Jeff), Ban
Abstract: Data-driven traffic state estimation and prediction (TSEP) relies heavily on data sources that contain sensitive information. While the abundance of data has fueled significant breakthroughs, particularly in machine learning-based methods, it also raises concerns regarding privacy, cybersecurity, and data freshness. These issues can erode public trust in intelligent transportation systems. Recently, regulations have introduced the "right to be forgotten", allowing users to request the removal of their private data from models. As machine learning models can remember old data, simply removing it from back-end databases is insufficient in such systems. To address these challenges, this study introduces a novel learning paradigm for TSEP-Machine Unlearning TSEP-which enables a trained TSEP model to selectively forget privacy-sensitive, poisoned, or outdated data. By empowering models to "unlearn," we aim to enhance the trustworthiness and reliability of data-driven traffic TSEP.
Authors: Ziyan Wu, Ivan Korolija, Rui Tang
Abstract: With the increasing penetration of renewable generation on the power grid, maintaining system balance requires coordinated demand flexibility from aggregations of buildings. Reinforcement learning (RL) has been widely explored for building controls because of its model-free nature. Open-source simulation testbeds are essential not only for training RL agents but also for fairly benchmarking control strategies. However, most building-sector testbeds target single buildings; multi-building platforms are relatively limited and typically rely on simplified models (e.g., Resistanc-Capacitance) or data-driven approaches, which lack the ability to fully capture the physical intricacies and intermediate variables necessary for interpreting control performance. Moreover, these platforms often impose fixed inputs, outputs, and model formats, restricting their applicability as benchmarking tools across diverse control scenarios. To address these gaps, MuFlex, a scalable, open-source platform for multi-building flexibility coordination, was developed. MuFlex enables synchronous information exchange across EnergyPlus building models and adheres to the latest OpenAI Gym interface, providing a modular, standardized RL implementation. The platform's capabilities were demonstrated in a case study coordinating demand flexibility across four office buildings using the Soft Actor-Critic (SAC) algorithm. The results show that under four buildings' coordination, SAC effectively reduced the aggregated peak demand by nearly 12% with maintained indoor comfort to ensure the power demand below the threshold. The platform is released open-source on GitHub: https://github.com/BuildNexusX/MuFlex.
Authors: Su Hyeong Lee, Richard Ngo
Abstract: What does it even mean to average neural networks? We investigate the problem of synthesizing a single neural network from a collection of pretrained models, each trained on disjoint data shards, using only their final weights and no access to training data. In forming a definition of neural averaging, we take insight from model soup, which appears to aggregate multiple models into a singular model while enhancing generalization performance. In this work, we reinterpret model souping as a special case of a broader framework: Amortized Model Ensembling (AME) for neural averaging, a data-free meta-optimization approach that treats model differences as pseudogradients to guide neural weight updates. We show that this perspective not only recovers model soup but enables more expressive and adaptive ensembling strategies. Empirically, AME produces averaged neural solutions that outperform both individual experts and model soup baselines, especially in out-of-distribution settings. Our results suggest a principled and generalizable notion of data-free model weight aggregation and defines, in one sense, how to perform neural averaging.
Authors: Meysam Shirdel Bilehsavar, Razieh Ghaedi, Samira Seyed Taheri, Xinqi Fan, Christian O'Reilly
Abstract: Clustering algorithms are fundamental tools across many fields, with density-based methods offering particular advantages in identifying arbitrarily shaped clusters and handling noise. However, their effectiveness is often limited by the requirement of critical parameter tuning by users, which typically requires significant domain expertise. This paper introduces a novel density-based clustering algorithm loosely inspired by the concept of selective attention, designed to minimize reliance on parameter tuning for most applications. The proposed method computes an adaptive threshold to exclude sparsely distributed points and outliers, constructs an initial cluster framework, and subsequently reintegrates the filtered points to refine the final results. Extensive experiments on diverse benchmark datasets demonstrate the robustness, accuracy, and ease of use of the proposed approach, establishing it as a powerful alternative to conventional density-based clustering techniques.
Authors: Shervin Khalafi, Ignacio Hounie, Dongsheng Ding, Alejandro Ribeiro
Abstract: Diffusion models have become prevalent in generative modeling due to their ability to sample from complex distributions. To improve the quality of generated samples and their compliance with user requirements, two commonly used methods are: (i) Alignment, which involves finetuning a diffusion model to align it with a reward; and (ii) Composition, which combines several pretrained diffusion models together, each emphasizing a desirable attribute in the generated outputs. However, trade-offs often arise when optimizing for multiple rewards or combining multiple models, as they can often represent competing properties. Existing methods cannot guarantee that the resulting model faithfully generates samples with all the desired properties. To address this gap, we propose a constrained optimization framework that unifies alignment and composition of diffusion models by enforcing that the aligned model satisfies reward constraints and/or remains close to each pretrained model. We provide a theoretical characterization of the solutions to the constrained alignment and composition problems and develop a Lagrangian-based primal-dual training algorithm to approximate these solutions. Empirically, we demonstrate our proposed approach in image generation, applying it to alignment and composition, and show that our aligned or composed model satisfies constraints effectively. Our implementation can be found at: \href{https://github.com/shervinkhalafi/constrained_comp_align}{https://github.com/shervinkhalafi/constrained\_comp\_align}
URLs: https://github.com/shervinkhalafi/constrained_comp_align, https://github.com/shervinkhalafi/constrained\_comp\_align
Authors: Huatian Gong, Jiuh-Biing Sheu, Zheng Wang, Xiaoguang Yang, Ran Yan
Abstract: Rapid post-disaster road damage assessment is critical for effective emergency response, yet traditional optimization methods suffer from excessive computational time and require domain knowledge for algorithm design, making them unsuitable for time-sensitive disaster scenarios. This study proposes an attention-based encoder-decoder model (AEDM) for rapid drone routing decision in post-disaster road damage assessment. The method employs deep reinforcement learning to determine high-quality drone assessment routes without requiring algorithmic design knowledge. A network transformation method is developed to convert link-based routing problems into equivalent node-based formulations, while a synthetic road network generation technique addresses the scarcity of large-scale training datasets. The model is trained using policy optimization with multiple optima (POMO) with multi-task learning capabilities to handle diverse parameter combinations. Experimental results demonstrate two key strengths of AEDM: it outperforms commercial solvers by 20--71\% and traditional heuristics by 23--35\% in solution quality, while achieving rapid inference (1--2 seconds) versus 100--2,000 seconds for traditional methods. The model exhibits strong generalization across varying problem scales, drone numbers, and time constraints, consistently outperforming baseline methods on unseen parameter distributions and real-world road networks. The proposed method effectively balances computational efficiency with solution quality, making it particularly suitable for time-critical disaster response applications where rapid decision-making is essential for saving lives. The source code for AEDM is publicly available at https://github.com/PJ-HTU/AEDM-for-Post-disaster-road-assessment.
URLs: https://github.com/PJ-HTU/AEDM-for-Post-disaster-road-assessment.
Authors: Niteesh Midlagajni, Constantin A. Rothkopf
Abstract: Simulating particle dynamics with high fidelity is crucial for solving real-world interaction and control tasks involving liquids in design, graphics, and robotics. Recently, data-driven approaches, particularly those based on graph neural networks (GNNs), have shown progress in tackling such problems. However, these approaches are often limited to learning fluid behavior in static free-fall environments or simple manipulation settings involving primitive objects, often overlooking complex interactions with dynamically moving kinematic rigid bodies. Here, we propose a GNN-based framework designed from the ground up to learn the dynamics of liquids under rigid body interactions and active manipulations, where particles are represented as graph nodes and particle-object collisions are handled using surface representations with the bounding volume hierarchy (BVH) algorithm. Our approach accurately captures fluid behavior in dynamic settings and can also function as a simulator in static free-fall environments. Despite being trained on single-object manipulation tasks, our model generalizes effectively to environments with novel objects and novel manipulation tasks. Finally, we show that the learned dynamics can be leveraged to solve control and manipulation tasks using gradient-based optimization methods.
Authors: Adrian Catalin Lutu, Ioana Pintilie, Elena Burceanu, Andrei Manolache
Abstract: We present ChronoGraph, a graph-structured multivariate time series forecasting dataset built from real-world production microservices. Each node is a service that emits a multivariate stream of system-level performance metrics, capturing CPU, memory, and network usage patterns, while directed edges encode dependencies between services. The primary task is forecasting future values of these signals at the service level. In addition, ChronoGraph provides expert-annotated incident windows as anomaly labels, enabling evaluation of anomaly detection methods and assessment of forecast robustness during operational disruptions. Compared to existing benchmarks from industrial control systems or traffic and air-quality domains, ChronoGraph uniquely combines (i) multivariate time series, (ii) an explicit, machine-readable dependency graph, and (iii) anomaly labels aligned with real incidents. We report baseline results spanning forecasting models, pretrained time-series foundation models, and standard anomaly detectors. ChronoGraph offers a realistic benchmark for studying structure-aware forecasting and incident-aware evaluation in microservice systems.
Authors: Sitong Chen, Shen Nie, Jiacheng Sun, Zijin Feng, Zhenguo Li, Ji-Rong Wen, Chongxuan Li
Abstract: We present a systematic theoretical framework that interprets masked diffusion models (MDMs) as solutions to energy minimization problems in discrete optimal transport. Specifically, we prove that three distinct energy formulations--kinetic, conditional kinetic, and geodesic energy--are mathematically equivalent under the structure of MDMs, and that MDMs minimize all three when the mask schedule satisfies a closed-form optimality condition. This unification not only clarifies the theoretical foundations of MDMs, but also motivates practical improvements in sampling. By parameterizing interpolation schedules via Beta distributions, we reduce the schedule design space to a tractable 2D search, enabling efficient post-training tuning without model modification. Experiments on synthetic and real-world benchmarks demonstrate that our energy-inspired schedules outperform hand-crafted baselines, particularly in low-step sampling settings.
Authors: Jorge-Humberto Urrea-Quintero, David Anton, Laura De Lorenzis, Henning Wessels
Abstract: The automated discovery of constitutive models from data has recently emerged as a promising alternative to the traditional model calibration paradigm. In this work, we present a fully automated framework for constitutive model discovery that systematically pairs three sparse regression algorithms Least Absolute Shrinkage and Selection Operator (LASSO), Least Angle Regression (LARS), and Orthogonal Matching Pursuit (OMP)) with three model selection criteria: $K$-fold cross-validation (CV), Akaike Information Criterion (AIC), and Bayesian Information Criterion (BIC). This pairing yields nine distinct algorithms for model discovery and enables a systematic exploration of the trade-off between sparsity, predictive performance, and computational cost. While LARS serves as an efficient path-based solver for the $\ell_1$-constrained problem, OMP is introduced as a tractable heuristic for $\ell_0$-regularized selection. The framework is applied to both isotropic and anisotropic hyperelasticity, utilizing both synthetic and experimental datasets. Results reveal that all nine algorithm-criterion combinations perform consistently well in discovering isotropic and anisotropic materials, yielding highly accurate constitutive models. These findings broaden the range of viable discovery algorithms beyond $\ell_1$-based approaches such as LASSO.
Authors: Rami Zewail
Abstract: Learning robust representations for physiological time-series signals continues to pose a substantial challenge in developing efficient few-shot learning applications. This difficulty is largely due to the complex pathological variations in biosignals. In this context, this paper introduces a manifold-aware Diffusion-Augmented Contrastive Learning (DACL) framework, which efficiently leverages the generative structure of latent diffusion models with the discriminative power of supervised contrastive learning. The proposed framework operates within a contextualized scattering latent space derived from Scattering Transformer (ST) features. Within a contrastive learning framework, we employ a forward diffusion process in the scattering latent space as a structured manifold-aware feature augmentation technique. We assessed the proposed framework using the PhysioNet 2017 ECG benchmark dataset. The proposed method achieved a competitive AUROC of 0.9741 in the task of detecting atrial fibrillation from a single-lead ECG signal. The proposed framework achieved performance on par with relevant state-of-the-art related works. In-depth evaluation findings suggest that early-stage diffusion serves as an ideal "local manifold explorer," producing embeddings with greater precision than typical augmentation methods while preserving inference efficiency.
Authors: Qiyu Chen, Guozhang Chen
Abstract: The remarkable success of large-scale models is fundamentally tied to scaling laws, yet the finite nature of high-quality data presents a looming challenge. One of the next frontiers in modeling is data efficiency: the ability to learn more from less. A model's inductive bias is a critical lever for this, but foundational sequence models like State Space Models (SSMs) rely on a fixed bias. This fixed prior is sample-inefficient when a task's underlying structure does not match. In this work, we introduce a principled framework to solve this problem. We first formalize the inductive bias of linear time-invariant SSMs through an SSM-induced kernel, mathematically and empirically proving its spectrum is directly governed by the model's frequency response. Further, we propose a method of Task-Dependent Initialization (TDI): power spectrum matching, a fast and efficient method that aligns the model's inductive bias with the task's spectral characteristics before large-scale training. Our experiments on a diverse set of real-world benchmarks show that TDI significantly improves generalization and sample efficiency, particularly in low-data regimes. This work provides a theoretical and practical tool to create more data-efficient models, a crucial step towards sustainable scaling.
Authors: Ting Gao, Elvin Isufi, Winnie Daamen, Erik-Sander Smits, Serge Hoogendoorn
Abstract: Estimating queue lengths at signalized intersections is a long-standing challenge in traffic management. Partial observability of vehicle flows complicates this task despite the availability of two privacy preserving data sources: (i) aggregated vehicle counts from loop detectors near stop lines, and (ii) aggregated floating car data (aFCD) that provide segment-wise average speed measurements. However, how to integrate these sources with differing spatial and temporal resolutions for queue length estimation is rather unclear. Addressing this question, we present Q Net: a robust queue estimation framework built upon a state-space formulation. This formulation addresses key challenges in queue modeling, such as violations of traffic conservation assumptions. To overcome the limitations of standard filtering models in integrating diverse data sources, Q-Net employs an AI-augmented Kalman filter for estimation. Q-Net follows the Kalman predict-update framework and maintains physical interpretability, with internal variables linked to real-world traffic dynamics. Q-Net can be implemented in real-time, making it suitable for integration into queue-based traffic control systems. To achieve spatial transferability across road sections, we group aFCD measurements into fixed-size groups. This strategy ensures the dimension of Q-Net's learnable parameters is independent of section length. Evaluations on urban main roads in Rotterdam, the Netherlands, show that Q-Net outperforms baseline methods, accurately tracking queue formation and dissipation while correcting aFCD-induced delays. By combining data efficiency, interpretability, and strong transferability, Q Net makes accurate queue length estimation possible without costly sensing infrastructure like cameras or radar.
Authors: Yifan Lu, Rixin Liu, Jiayi Yuan, Xingqi Cui, Shenrun Zhang, Hongyi Liu, Jiarong Xing
Abstract: Today's LLM ecosystem comprises a wide spectrum of models that differ in size, capability, and cost. No single model is optimal for all scenarios; hence, LLM routers have become essential for selecting the most appropriate model under varying circumstances. However, the rapid emergence of various routers makes choosing the right one increasingly challenging. To address this problem, we need a comprehensive router comparison and a standardized leaderboard, similar to those available for models. In this work, we introduce RouterArena, the first open platform enabling comprehensive comparison of LLM routers. RouterArena has (1) a principally constructed dataset with broad knowledge domain coverage, (2) distinguishable difficulty levels for each domain, (3) an extensive list of evaluation metrics, and (4) an automated framework for leaderboard updates. Leveraging our framework, we have produced the initial leaderboard with detailed metrics comparison as shown in Figure 1. Our framework for evaluating new routers is on https://github.com/RouteWorks/RouterArena. Our leaderboard is on https://routeworks.github.io/.
URLs: https://github.com/RouteWorks/RouterArena., https://routeworks.github.io/.
Authors: Lauri Kurki, Yaniel Cabrera, Samu Karanko
Abstract: Reliable precipitation nowcasting is critical for weather-sensitive decision-making, yet neural weather models (NWMs) can produce poorly calibrated probabilistic forecasts. Standard calibration metrics such as the expected calibration error (ECE) fail to capture miscalibration across precipitation thresholds. We introduce the expected thresholded calibration error (ETCE), a new metric that better captures miscalibration in ordered classes like precipitation amounts. We extend post-processing techniques from computer vision to the forecasting domain. Our results show that selective scaling with lead time conditioning reduces model miscalibration without reducing the forecast quality.
Authors: Yongchao Li, Jun Chen, Zhuoxuan Li, Chao Gao, Yang Li, Chu Zhang, Changyin Dong
Abstract: Interchanges are crucial nodes for vehicle transfers between highways, yet the lack of real-time ramp detectors creates blind spots in traffic prediction. To address this, we propose a Spatio-Temporal Decoupled Autoencoder (STDAE), a two-stage framework that leverages cross-modal reconstruction pretraining. In the first stage, STDAE reconstructs historical ramp flows from mainline data, forcing the model to capture intrinsic spatio-temporal relations. Its decoupled architecture with parallel spatial and temporal autoencoders efficiently extracts heterogeneous features. In the prediction stage, the learned representations are integrated with models such as GWNet to enhance accuracy. Experiments on three real-world interchange datasets show that STDAE-GWNET consistently outperforms thirteen state-of-the-art baselines and achieves performance comparable to models using historical ramp data. This demonstrates its effectiveness in overcoming detector scarcity and its plug-and-play potential for diverse forecasting pipelines.
Authors: Haosong Zhang, Shenxi Wu, Yichi Zhang, Xi Chen, Wei Lin
Abstract: Choosing an appropriate learning rate remains a key challenge in scaling depth of modern deep networks. The classical maximal update parameterization ($\mu$P) enforces a fixed per-layer update magnitude, which is well suited to homogeneous multilayer perceptrons (MLPs) but becomes ill-posed in heterogeneous architectures where residual accumulation and convolutions introduce imbalance across layers. We introduce Arithmetic-Mean $\mu$P (AM-$\mu$P), which constrains not each individual layer but the network-wide average one-step pre-activation second moment to a constant scale. Combined with a residual-aware He fan-in initialization - scaling residual-branch weights by the number of blocks ($\mathrm{Var}[W]=c/(K\cdot \mathrm{fan\text{-}in})$) - AM-$\mu$P yields width-robust depth laws that transfer consistently across depths. We prove that, for one- and two-dimensional convolutional networks, the maximal-update learning rate satisfies $\eta^\star(L)\propto L^{-3/2}$; with zero padding, boundary effects are constant-level as $N\gg k$. For standard residual networks with general conv+MLP blocks, we establish $\eta^\star(L)=\Theta(L^{-3/2})$, with $L$ the minimal depth. Empirical results across a range of depths confirm the $-3/2$ scaling law and enable zero-shot learning-rate transfer, providing a unified and practical LR principle for convolutional and deep residual networks without additional tuning overhead.
Authors: Seunghyeon Kim, Jinho Kim, Taesun Yeom, Wonpyo Park, Kyuyeun Kim, Jaeho Lee
Abstract: Transformer-based vision encoders -- such as CLIP -- are central to multimodal intelligence, powering applications from autonomous web agents to robotic control. Since these applications often demand real-time processing of massive visual data, reducing the inference cost of vision encoders is critical. Quantization offers a practical path, but remains challenging even at 8-bit precision due to massive-scale activations (i.e., outliers). In this work, we propose $\textit{RegCache}$, a training-free algorithm that mitigates outliers in large-scale pretrained vision encoders and serves as a plug-in module that can be applied on top of other quantization methods. The proposed RegCache introduces outlier-prone yet semantically meaningless prefix tokens to the target vision encoder, which prevents other tokens from having outliers. Notably, we observe that outliers in vision encoders behave differently from those in language models, motivating two technical innovations: middle-layer prefixing and token deletion. Experiments show that our method consistently improves the accuracy of quantized models across both text-supervised and self-supervised vision encoders.
Authors: Yubo Li, Rema Padman
Abstract: Modeling clinical time-series data is hampered by the challenge of capturing latent, time-varying dependencies among features. State-of-the-art approaches often rely on black-box mechanisms or simple aggregation, failing to explicitly model how the influence of one clinical variable propagates through others over time. We propose $\textbf{Chain-of-Influence (CoI)}$, an interpretable deep learning framework that constructs an explicit, time-unfolded graph of feature interactions. CoI enables the tracing of influence pathways, providing a granular audit trail that shows how any feature at any time contributes to the final prediction, both directly and through its influence on other variables. We evaluate CoI on mortality and disease progression tasks using the MIMIC-IV dataset and a chronic kidney disease cohort. Our framework achieves state-of-the-art predictive performance (AUROC of 0.960 on CKD progression and 0.950 on ICU mortality), with deletion-based sensitivity analyses confirming that CoI's learned attributions faithfully reflect its decision process. Through case studies, we demonstrate that CoI uncovers clinically meaningful, patient-specific patterns of disease progression, offering enhanced transparency into the temporal and cross-feature dependencies that inform clinical decision-making.
Authors: Lino Gerlach, Liv V{\aa}ge, Thore Gerlach, Elliott Kauffman, Isobel Ojalvo
Abstract: Fast and efficient machine learning is of growing interest to the scientific community and has spurred significant research into novel model architectures and hardware-aware design. Recent hard? and software co-design approaches have demonstrated impressive results with entirely multiplication-free models. Differentiable Logic Gate Networks (DLGNs), for instance, provide a gradient-based framework for learning optimal combinations of low-level logic gates, setting state-of-the-art trade-offs between accuracy, resource usage, and latency. However, these models suffer from high computational cost during training and do not generalize well to logic blocks with more inputs. In this work, we introduce Walsh-Assisted Relaxation for Probabilistic Look-Up Tables (WARP-LUTs) - a novel gradient-based method that efficiently learns combinations of logic gates with substantially fewer trainable parameters. We demonstrate that WARP-LUTs achieve significantly faster convergence on CIFAR-10 compared to DLGNs, while maintaining comparable accuracy. Furthermore, our approach suggests potential for extension to higher-input logic blocks, motivating future research on extremely efficient deployment on modern FPGAs and its real-time science applications.
Authors: Chi Zhao, Jing Liu, Elena Parilina
Abstract: The exponential growth of data volumes has led to escalating computational costs in machine learning model training. However, many features fail to contribute positively to model performance while consuming substantial computational resources. This paper presents an end-to-end feature selection framework for tabular data based on game theory. We formulate feature selection procedure based on a cooperative game where features are modeled as players, and their importance is determined through the evaluation of synergistic interactions and marginal contributions. The proposed framework comprises four core components: sample selection, game-theoretic feature importance evaluation, redundant feature elimination, and optimized model training. Experimental results demonstrate that the proposed method achieves substantial computation reduction while preserving predictive performance, thereby offering an efficient solution of the computational challenges of large-scale machine learning. The source code is available at https://github.com/vectorsss/strategy_inputs.
Authors: Kang Chen, Zhihao Liu, Tonghe Zhang, Zhen Guo, Si Xu, Hao Lin, Hongzhi Zang, Xiang Li, Quanlu Zhang, Zhaofei Yu, Guoliang Fan, Tiejun Huang, Yu Wang, Chao Yu
Abstract: Vision-Language-Action (VLA) models enable robots to understand and perform complex tasks from multimodal input. Although recent work explores using reinforcement learning (RL) to automate the laborious data collection process in scaling supervised fine-tuning (SFT), applying large-scale RL to flow-based VLAs (\eg, $\pi_0$, $\pi_{0.5}$) remains challenging due to intractable action log-likelihoods from iterative denoising. We address this challenge with $\pi_{\texttt{RL}}$, an open-source framework for training flow-based VLAs in parallel simulation. $\pi_{\texttt{RL}}$ implements two RL algorithms: (1) \textbf{Flow-Noise} models the denoising process as a discrete-time MDP with a learnable noise network for exact log-likelihood computation. (2) \textbf{Flow-SDE} integrates denoising with agent-environment interaction, formulating a two-layer MDP that employs ODE-to-SDE conversion for efficient RL exploration. We evaluate $\pi_{\texttt{RL}}$ on LIBERO, ManiSkill, and MetaWorld benchmarks. On LIBERO, $\pi_{\texttt{RL}}$ boosts few-shot SFT models $\pi_0$ and $\pi_{0.5}$ from 57.6\% to 97.6\% and from 77.1\% to 98.3\%, respectively. On ManiSkill, we train $\pi_{\texttt{RL}}$ in 320 parallel environments, improving $\pi_0$ from 38.4\% to 78.8\% and $\pi_{0.5}$ from 40.1\% to 90.8\% across 4352 variations of pick-and-place task. On MetaWorld, RL is conducted over 50 different manipulation tasks and yields performance gains of 35.0\% and 26.9\% for $\pi_0$ and $\pi_{0.5}$ models, respectively. Overall, $\pi_{\texttt{RL}}$ achieves significant performance gains and stronger generalization over SFT-models, validating the effectiveness of online RL for flow-based VLAs.
Authors: Jungyeon Koh, Hyun Jong Yang
Abstract: The growing demand for on-device large language model (LLM) inference highlights the need for efficient mobile edge computing (MEC) solutions, especially in resource-constrained settings. Speculative decoding offers a promising solution by partitioning token generation between a lightweight draft model on mobile devices and a powerful target model on edge servers, but suffers from communication overhead and asynchronous delays. This paper is the first to propose a unified framework that jointly optimizes user association and resource allocation (UARA) to support efficient parallel speculative decoding. We solve the UARA problem using a multi-agent deep reinforcement learning algorithm. To evaluate our approach under realistic conditions, we conduct experiments using the Sionna simulator. Results show that our method achieves up to 28.0% and an average of 23.7% reduction in end-to-end latency without compromising inference accuracy, enabling scalable and low-latency LLM services in MEC systems.
Authors: Jucheng Shen, Yeonju Ro
Abstract: Masked diffusion language models (MDLMs) are becoming competitive with their autoregressive counterparts but typically decode with fixed steps and sequential unmasking. To accelerate decoding, recent work such as Fast-dLLM enables parallel decoding via a static global confidence threshold, yet we observe strong block- and step-wise confidence fluctuations and, within a dataset, near-identical confidence trajectories across inputs as measured by cosine similarity. Motivated by these observations, we introduce One-Shot Dynamic Thresholding (OSDT), which calibrates thresholds on a single sequence and applies them to subsequent inputs with negligible overhead. On GPQA, GSM8K, and HumanEval, OSDT attains superior accuracy-throughput trade-offs (+24% tokens/s on GSM8K at the best accuracy, +45% on GPQA with comparable accuracy, and +50% on HumanEval with a modest accuracy gap). Beyond these results, our findings suggest broader opportunities to leverage reusable task-level confidence signatures for more general-purpose algorithmic and systems innovations in diffusion decoding.
Authors: Jonghae Park, Daesol Cho, Jusuk Lee, Dongseok Shim, Inkyu Jang, H. Jin Kim
Abstract: Unsupervised skill discovery in reinforcement learning (RL) aims to learn diverse behaviors without relying on external rewards. However, current methods often overlook the periodic nature of learned skills, focusing instead on increasing the mutual dependence between states and skills or maximizing the distance traveled in latent space. Considering that many robotic tasks - particularly those involving locomotion - require periodic behaviors across varying timescales, the ability to discover diverse periodic skills is essential. Motivated by this, we propose Periodic Skill Discovery (PSD), a framework that discovers periodic behaviors in an unsupervised manner. The key idea of PSD is to train an encoder that maps states to a circular latent space, thereby naturally encoding periodicity in the latent representation. By capturing temporal distance, PSD can effectively learn skills with diverse periods in complex robotic tasks, even with pixel-based observations. We further show that these learned skills achieve high performance on downstream tasks such as hurdling. Moreover, integrating PSD with an existing skill discovery method offers more diverse behaviors, thus broadening the agent's repertoire. Our code and demos are available at https://jonghaepark.github.io/psd/
Authors: Keita Kinjo
Abstract: Currently, machine learning is widely used across various domains, including time series data analysis. However, some machine learning models function as black boxes, making interpretability a critical concern. One approach to address this issue is counterfactual explanation (CE), which aims to provide insights into model predictions. This study focuses on the relatively underexplored problem of generating counterfactual explanations for time series forecasting. We propose a method for extracting CEs in time series forecasting using exogenous variables, which are frequently encountered in fields such as business and marketing. In addition, we present methods for analyzing the influence of each variable over an entire time series, generating CEs by altering only specific variables, and evaluating the quality of the resulting CEs. We validate the proposed method through theoretical analysis and empirical experiments, showcasing its accuracy and practical applicability. These contributions are expected to support real-world decision-making based on time series data analysis.
Authors: Shrutimoy Das, Debanuj Nayak, Anirban Dasgupta
Abstract: Linear regression is frequently applied in a variety of domains, some of which might contain sensitive information. This necessitates that the application of these methods does not reveal private information. Differentially private (DP) linear regression methods, developed for this purpose, compute private estimates of the solution. These techniques typically involve computing a noisy version of the solution vector. Instead, we propose releasing private sketches of the datasets, which can then be used to compute an approximate solution to the regression problem. This is motivated by the \emph{sketch-and-solve} paradigm, where the regression problem is solved on a smaller sketch of the dataset instead of on the original problem space. The solution obtained on the sketch can also be shown to have good approximation guarantees to the original problem. Various sketching methods have been developed for improving the computational efficiency of linear regression problems under this paradigm. We adopt this paradigm for the purpose of releasing private sketches of the data. We construct differentially private sketches for the problems of least squares regression, as well as least absolute deviations regression. We show that the privacy constraints lead to sketched versions of regularized regression. We compute the bounds on the regularization parameter required for guaranteeing privacy. The availability of these private sketches facilitates the application of commonly available solvers for regression, without the risk of privacy leakage.
Authors: Xinyu Wang, Jinxiao Du, Yiyang Peng, Wei Ma
Abstract: Decision-focused learning (DFL) has emerged as a powerful end-to-end alternative to conventional predict-then-optimize (PTO) pipelines by directly optimizing predictive models through downstream decision losses. Existing DFL frameworks are limited by their strictly sequential structure, referred to as sequential DFL (S-DFL). However, S-DFL fails to capture the bidirectional feedback between prediction and optimization in complex interaction scenarios. In view of this, we first time propose recursive decision-focused learning (R-DFL), a novel framework that introduces bidirectional feedback between downstream optimization and upstream prediction. We further extend two distinct differentiation methods: explicit unrolling via automatic differentiation and implicit differentiation based on fixed-point methods, to facilitate efficient gradient propagation in R-DFL. We rigorously prove that both methods achieve comparable gradient accuracy, with the implicit method offering superior computational efficiency. Extensive experiments on both synthetic and real-world datasets, including the newsvendor problem and the bipartite matching problem, demonstrate that R-DFL not only substantially enhances the final decision quality over sequential baselines but also exhibits robust adaptability across diverse scenarios in closed-loop decision-making problems.
Authors: Kaleem Ullah Qasim, Jiashu Zhang
Abstract: Recursive reasoning models achieve remarkable performance on complex reasoning tasks through iterative refinement, enabling tiny networks to match large language models thousands of times their size. However, training remains computationally expensive, prior work reporting approximately 36 GPU-hours per dataset, limiting broader adoption and research. We propose CGAR, a novel training methodology that applies curriculum learning to architectural depth rather than traditional data ordering. CGAR introduces two synergistic components: Progressive Depth Curriculum dynamically adjusts recursion depth from shallow to deep configurations during training, preventing early overfitting while reducing computational cost, and Hierarchical Supervision Weighting applies exponentially decaying importance to supervision steps, aligning loss weighting with observed gradient magnitude decay. On Sudoku-Extreme with 423,168 test puzzles, CGAR achieves 1.71x training speedup (10.93 to 6.38 hours, 42% cost reduction) with only 0.63% accuracy drop (86.65% to 86.02%). Systematic ablations reveal Progressive Depth Curriculum alone achieves 2.26x speedup with 85.47% accuracy, demonstrating a rare Pareto improvement where architectural curriculum simultaneously enhances training efficiency and solution quality. CGAR-trained models exhibit superior inference efficiency with 100% halting accuracy and 11% fewer reasoning steps. Our work demonstrates that principled curriculum on architectural depth enables efficient training of recursive reasoning models on modest hardware. Code and models: https://github.com/Kaleemullahqasim/CGAR and https://huggingface.co/Kaleemullah/trm-cgar-sudoku
URLs: https://github.com/Kaleemullahqasim/CGAR, https://huggingface.co/Kaleemullah/trm-cgar-sudoku
Authors: Christopher Cheong, Gary Davis, Seongjin Choi
Abstract: Spatiotemporal forecasting on transportation networks is a complex task that requires understanding how traffic nodes interact within a dynamic, evolving system dictated by traffic flow dynamics and social behavioral patterns. The importance of transportation networks and ITS for modern mobility and commerce necessitates forecasting models that are not only accurate but also interpretable, efficient, and robust under structural or temporal perturbations. Recent approaches, particularly Transformer-based architectures, have improved predictive performance but often at the cost of high computational overhead and diminished architectural interpretability. In this work, we introduce Weaver, a novel attention-based model that applies Kronecker product approximations (KPA) to decompose the PN X PN spatiotemporal attention of O(P^2N^2) complexity into local P X P temporal and N X N spatial attention maps. This Kronecker attention map enables our Parallel-Kronecker Matrix-Vector product (P2-KMV) for efficient spatiotemporal message passing with O(P^2N + N^2P) complexity. To capture real-world traffic dynamics, we address the importance of negative edges in modeling traffic behavior by introducing Valence Attention using the continuous Tanimoto coefficient (CTC), which provides properties conducive to precise latent graph generation and training stability. To fully utilize the model's learning capacity, we introduce the Traffic Phase Dictionary for self-conditioning. Evaluations on PEMS-BAY and METR-LA show that Weaver achieves competitive performance across model categories while training more efficiently.
Authors: Mingkuan Zhao, Wentao Hu, Jiayin Wang, Xin Lai, Tianchen Huang, Yuheng Min, Rui Yan, Xiaoyan Zhu
Abstract: The design of Large Language Models (LLMs) has long been hampered by a fundamental conflict within their core attention mechanism: its remarkable expressivity is built upon a computational complexity of O(H N^2) that grows quadratically with the context size (N) and linearly with the number of heads (H). This standard implementation harbors significant computational redundancy, as all heads independently compute attention over the same sequence space. Existing sparse methods, meanwhile, often trade information integrity for computational efficiency. To resolve this efficiency-performance trade-off, we propose SPAttention, whose core contribution is the introduction of a new paradigm we term Principled Structural Sparsity. SPAttention does not merely drop connections but instead reorganizes the computational task by partitioning the total attention workload into balanced, non-overlapping distance bands, assigning each head a unique segment. This approach transforms the multi-head attention mechanism from H independent O(N^2) computations into a single, collaborative O(N^2) computation, fundamentally reducing complexity by a factor of H. The structured inductive bias compels functional specialization among heads, enabling a more efficient allocation of computational resources from redundant modeling to distinct dependencies across the entire sequence span. Our work demonstrates that thoughtfully designed structural sparsity can serve as an effective inductive bias that simultaneously improves both computational efficiency and model performance, opening a new avenue for the architectural design of next-generation, high-performance LLMs.
Authors: Sha Zhao, Mingyi Peng, Haiteng Jiang, Tao Li, Shijian Li, Gang Pan
Abstract: Scalable and generalizable analysis of brain activity is essential for advancing both clinical diagnostics and cognitive research. Electroencephalography (EEG), a non-invasive modality with high temporal resolution, has been widely used for brain states analysis. However, most existing EEG models are usually tailored for individual specific tasks, limiting their utility in realistic scenarios where EEG analysis often involves multi-task and continuous reasoning. In this work, we introduce EEGAgent, a general-purpose framework that leverages large language models (LLMs) to schedule and plan multiple tools to automatically complete EEG-related tasks. EEGAgent is capable of performing the key functions: EEG basic information perception, spatiotemporal EEG exploration, EEG event detection, interaction with users, and EEG report generation. To realize these capabilities, we design a toolbox composed of different tools for EEG preprocessing, feature extraction, event detection, etc. These capabilities were evaluated on public datasets, and our EEGAgent can support flexible and interpretable EEG analysis, highlighting its potential for real-world clinical applications.
Authors: Jieting Wang, Xiaolei Shang, Feijiang Li, Furong Peng
Abstract: Time series forecasting relies on predicting future values from historical data, yet most state-of-the-art approaches-including transformer and multilayer perceptron-based models-optimize using Mean Squared Error (MSE), which has two fundamental weaknesses: its point-wise error computation fails to capture temporal relationships, and it does not account for inherent noise in the data. To overcome these limitations, we introduce the Residual-Informed Loss (RI-Loss), a novel objective function based on the Hilbert-Schmidt Independence Criterion (HSIC). RI-Loss explicitly models noise structure by enforcing dependence between the residual sequence and a random time series, enabling more robust, noise-aware representations. Theoretically, we derive the first non-asymptotic HSIC bound with explicit double-sample complexity terms, achieving optimal convergence rates through Bernstein-type concentration inequalities and Rademacher complexity analysis. This provides rigorous guarantees for RI-Loss optimization while precisely quantifying kernel space interactions. Empirically, experiments across eight real-world benchmarks and five leading forecasting models demonstrate improvements in predictive performance, validating the effectiveness of our approach. The code is publicly available at: https://github.com/shang-xl/RI-Loss.
Authors: Jieting Wang, Huimei Shi, Feijiang Li, Xiaolei Shang
Abstract: Time series forecasting is an important task that involves analyzing temporal dependencies and underlying patterns (such as trends, cyclicality, and seasonality) in historical data to predict future values or trends. Current deep learning-based forecasting models primarily employ Mean Squared Error (MSE) loss functions for regression modeling. Despite enabling direct value prediction, this method offers no uncertainty estimation and exhibits poor outlier robustness. To address these limitations, we propose OCE-TS, a novel ordinal classification approach for time series forecasting that replaces MSE with Ordinal Cross-Entropy (OCE) loss, preserving prediction order while quantifying uncertainty through probability output. Specifically, OCE-TS begins by discretizing observed values into ordered intervals and deriving their probabilities via a parametric distribution as supervision signals. Using a simple linear model, we then predict probability distributions for each timestep. The OCE loss is computed between the cumulative distributions of predicted and ground-truth probabilities, explicitly preserving ordinal relationships among forecasted values. Through theoretical analysis using influence functions, we establish that cross-entropy (CE) loss exhibits superior stability and outlier robustness compared to MSE loss. Empirically, we compared OCE-TS with five baseline models-Autoformer, DLinear, iTransformer, TimeXer, and TimeBridge-on seven public time series datasets. Using MSE and Mean Absolute Error (MAE) as evaluation metrics, the results demonstrate that OCE-TS consistently outperforms benchmark models. The codeis publicly available at: https://github.com/Shi-hm/OCE-TS.
Authors: Emmanuel Asiedu Brempong, Mohammed Alewi Hassen, MohamedElfatih MohamedKhair, Vusumuzi Dube, Santiago Hincapie Potes, Olivia Graham, Amanie Brik, Amy McGovern, George J. Huffman, Jason Hickey
Abstract: Accurate precipitation estimation is critical for hydrological applications, especially in the Global South where ground-based observation networks are sparse and forecasting skill is limited. Existing satellite-based precipitation products often rely on the longwave infrared channel alone or are calibrated with data that can introduce significant errors, particularly at sub-daily timescales. This study introduces Oya, a novel real-time precipitation retrieval algorithm utilizing the full spectrum of visible and infrared (VIS-IR) observations from geostationary (GEO) satellites. Oya employs a two-stage deep learning approach, combining two U-Net models: one for precipitation detection and another for quantitative precipitation estimation (QPE), to address the inherent data imbalance between rain and no-rain events. The models are trained using high-resolution GPM Combined Radar-Radiometer Algorithm (CORRA) v07 data as ground truth and pre-trained on IMERG-Final retrievals to enhance robustness and mitigate overfitting due to the limited temporal sampling of CORRA. By leveraging multiple GEO satellites, Oya achieves quasi-global coverage and demonstrates superior performance compared to existing competitive regional and global precipitation baselines, offering a promising pathway to improved precipitation monitoring and forecasting.
Authors: Junyang He, Judy Fox, Alireza Jafari, Ying-Jung Chen, Geoffrey Fox
Abstract: Recent advances in time series research facilitate the development of foundation models. While many state-of-the-art time series foundation models have been introduced, few studies examine their effectiveness in specific downstream applications in physical science. This work investigates the role of integrating domain knowledge into time series models for hydrological rainfall-runoff modeling. Using the CAMELS-US dataset, which includes rainfall and runoff data from 671 locations with six time series streams and 30 static features, we compare baseline and foundation models. Results demonstrate that models incorporating comprehensive known exogenous inputs outperform more limited approaches, including foundation models. Notably, incorporating natural annual periodic time series contribute the most significant improvements.
Authors: Zhenyu Lei, Patrick Soga, Yaochen Zhu, Yinhan He, Yushun Dong, Jundong Li
Abstract: Understanding and continuously refining multimodal molecular knowledge is crucial for advancing biomedicine, chemistry, and materials science. Molecule language models (MoLMs) have become powerful tools in these domains, integrating structural representations (e.g., SMILES strings, molecular graphs) with rich contextual descriptions (e.g., physicochemical properties). However, MoLMs can encode and propagate inaccuracies due to outdated web-mined training corpora or malicious manipulation, jeopardizing downstream discovery pipelines. While knowledge editing has been explored for general-domain AI, its application to MoLMs remains uncharted, presenting unique challenges due to the multifaceted and interdependent nature of molecular knowledge. In this paper, we take the first step toward MoLM editing for two critical tasks: molecule-to-caption generation and caption-to-molecule generation. To address molecule-specific challenges, we propose MolEdit, a powerful framework that enables targeted modifications while preserving unrelated molecular knowledge. MolEdit combines a Multi-Expert Knowledge Adapter that routes edits to specialized experts for different molecular facets with an Expertise-Aware Editing Switcher that activates the adapters only when input closely matches the stored edits across all expertise, minimizing interference with unrelated knowledge. To systematically evaluate editing performance, we introduce MEBench, a comprehensive benchmark assessing multiple dimensions, including Reliability (accuracy of the editing), Locality (preservation of irrelevant knowledge), and Generality (robustness to reformed queries). Across extensive experiments on two popular MoLM backbones, MolEdit delivers up to 18.8% higher Reliability and 12.0% better Locality than baselines while maintaining efficiency. The code is available at: https://github.com/LzyFischer/MolEdit.
Authors: Akira Tamamori
Abstract: Kernel-based learning methods can dramatically increase the storage capacity of Hopfield networks, yet the dynamical mechanism behind this enhancement remains poorly understood. We address this gap by unifying the geometric analysis of the attractor landscape with the spectral theory of kernel machines. Using a novel metric, "Pinnacle Sharpness," we first uncover a rich phase diagram of attractor stability, identifying a "Ridge of Optimization" where the network achieves maximal robustness under high-load conditions. Phenomenologically, this ridge is characterized by a "Force Antagonism," where a strong driving force is balanced by a collective feedback force. Theoretically, we reveal that this phenomenon arises from a specific reorganization of the weight spectrum, which we term \textit{Spectral Concentration}. Unlike a simple rank-1 collapse, our analysis shows that the network on the ridge self-organizes into a critical state: the leading eigenvalue is amplified to maximize global stability (Direct Force), while the trailing eigenvalues are preserved to maintain high memory capacity (Indirect Force). These findings provide a complete physical picture of how high-capacity associative memories are formed, demonstrating that optimal performance is achieved by tuning the system to a spectral "Goldilocks zone" between rank collapse and diffusion.
Authors: Justin Diamond, Markus Lill
Abstract: We prove that a denoising diffusion sampler equipped with a sequential bias across the batch dimension is exactly an Euler-Maruyama integrator for overdamped Langevin dynamics. Each reverse denoising step, with its associated spring stiffness, can be interpreted as one step of a stochastic differential equation with an effective time step set jointly by the noise schedule and that stiffness. The learned score then plays the role of the drift, equivalently the gradient of a learned energy, yielding a precise correspondence between diffusion sampling and Langevin time evolution. This equivalence recasts molecular dynamics (MD) in terms of diffusion models. Accuracy is no longer tied to a fixed, extremely small MD time step; instead, it is controlled by two scalable knobs: model capacity, which governs how well the drift is approximated, and the number of denoising steps, which sets the integrator resolution. In practice, this leads to a fully data-driven MD framework that learns forces from uncorrelated equilibrium snapshots, requires no hand-engineered force fields, uses no trajectory data for training, and still preserves the Boltzmann distribution associated with the learned energy. We derive trajectory-level, information-theoretic error bounds that cleanly separate discretization error from score-model error, clarify how temperature enters through the effective spring, and show that the resulting sampler generates molecular trajectories with MD-like temporal correlations, even though the model is trained only on static configurations.
Authors: Naoki Masuyama, Yuichiro Toda, Yusuke Nojima, Hisao Ishibuchi
Abstract: Clustering in stationary and nonstationary settings, where data distributions remain static or evolve over time, requires models that can adapt to distributional shifts while preserving previously learned cluster structures. This paper proposes an Adaptive Resonance Theory (ART)-based topological clustering algorithm that autonomously adjusts its recalculation interval and vigilance threshold through a diversity-driven adaptation mechanism. This mechanism enables hyperparameter-free learning that maintains cluster stability and continuity in dynamic environments. Experiments on 24 real-world datasets demonstrate that the proposed algorithm outperforms state-of-the-art methods in both clustering performance and continual learning capability. These results highlight the effectiveness of the proposed parameter adaptation in mitigating catastrophic forgetting and maintaining consistent clustering in evolving data streams. Source code is available at https://github.com/Masuyama-lab/IDAT
Authors: Jeeho Shin, Kyungho Kim, Kijung Shin
Abstract: Recipe recommendation has become an essential task in web-based food platforms. A central challenge is effectively leveraging rich multimodal features beyond user-recipe interactions. Our analysis shows that even simple uses of multimodal signals yield competitive performance, suggesting that systematic enhancement of these signals is highly promising. We propose TESMR, a 3-stage framework for recipe recommendation that progressively refines raw multimodal features into effective embeddings through: (1) content-based enhancement using foundation models with multimodal comprehension, (2) relation-based enhancement via message propagation over user-recipe interactions, and (3) learning-based enhancement through contrastive learning with learnable embeddings. Experiments on two real-world datasets show that TESMR outperforms existing methods, achieving 7-15% higher Recall@10.
Authors: Linqi Zhou, Mathias Parger, Ayaan Haque, Jiaming Song
Abstract: We propose Terminal Velocity Matching (TVM), a generalization of flow matching that enables high-fidelity one- and few-step generative modeling. TVM models the transition between any two diffusion timesteps and regularizes its behavior at its terminal time rather than at the initial time. We prove that TVM provides an upper bound on the $2$-Wasserstein distance between data and model distributions when the model is Lipschitz continuous. However, since Diffusion Transformers lack this property, we introduce minimal architectural changes that achieve stable, single-stage training. To make TVM efficient in practice, we develop a fused attention kernel that supports backward passes on Jacobian-Vector Products, which scale well with transformer architectures. On ImageNet-256x256, TVM achieves 3.29 FID with a single function evaluation (NFE) and 1.99 FID with 4 NFEs. It similarly achieves 4.32 1-NFE FID and 2.94 4-NFE FID on ImageNet-512x512, representing state-of-the-art performance for one/few-step models from scratch.
Authors: Nikit Phadke
Abstract: We present a universal framework for similarity-preserving encodings that subsumes all discrete, continuous, algebraic, and learned similarity methods under a single theoretical umbrella. By formulating similarity as functional witness projection over monoids, we prove that \[ O\!\left(\frac{1}{\Delta^{2}}\log N\right) \] encoding complexity with ranking preservation holds for arbitrary algebraic structures. This unification reveals that Bloom filters, Locality Sensitive Hashing (LSH), Count-Min sketches, Random Fourier Features, and Transformer attention kernels are instances of the same underlying mechanism. We provide complete proofs with explicit constants under 4-wise independent hashing, handle heavy-tailed witnesses via normalization and clipping, and prove \[ O(\log N) \] complexity for all major similarity methods from 1970-2024. We give explicit constructions for Boolean, Natural, Real, Tropical, and Product monoids, prove tight concentration bounds, and demonstrate compositional properties enabling multi-primitive similarity systems.
Authors: Mihaela Hudi\c{s}teanu, Nikita P. Kalinin, Edwige Cyffers
Abstract: Adaptive optimizers are the de facto standard in non-private training as they often enable faster convergence and improved performance. In contrast, differentially private (DP) training is still predominantly performed with DP-SGD, typically requiring extensive compute and hyperparameter tuning. We propose DP-MicroAdam, a memory-efficient and sparsity-aware adaptive DP optimizer. We prove that DP-MicroAdam converges in stochastic non-convex optimization at the optimal $\mathcal{O}(1/\sqrt{T})$ rate, up to privacy-dependent constants. Empirically, DP-MicroAdam outperforms existing adaptive DP optimizers and achieves competitive or superior accuracy compared to DP-SGD across a range of benchmarks, including CIFAR-10, large-scale ImageNet training, and private fine-tuning of pretrained transformers. These results demonstrate that adaptive optimization can improve both performance and stability under differential privacy.
Authors: Charlotte Beylier, Hannah Selder, Arthur Fleig, Simon M. Hofmann, Nico Scherf
Abstract: While deep reinforcement learning agents demonstrate high performance across domains, their internal decision processes remain difficult to interpret when evaluated only through performance metrics. In particular, it is poorly understood which input features agents rely on, how these dependencies evolve during training, and how they relate to behavior. We introduce a scientific methodology for analyzing the learning process through quantitative analysis of saliency. This approach aggregates saliency information at the object and modality level into hierarchical attention profiles, quantifying how agents allocate attention over time, thereby forming attention trajectories throughout training. Applied to Atari benchmarks, custom Pong environments, and muscle-actuated biomechanical user simulations in visuomotor interactive tasks, this methodology uncovers algorithm-specific attention biases, reveals unintended reward-driven strategies, and diagnoses overfitting to redundant sensory channels. These patterns correspond to measurable behavioral differences, demonstrating empirical links between attention profiles, learning dynamics, and agent behavior. To assess robustness of the attention profiles, we validate our findings across multiple saliency methods and environments. The results establish attention trajectories as a promising diagnostic axis for tracing how feature reliance develops during training and for identifying biases and vulnerabilities invisible to performance metrics alone.
Authors: Rio Alexa Fear, Payel Mukhopadhyay, Michael McCabe, Alberto Bietti, Miles Cranmer
Abstract: Recent advances in mechanistic interpretability have revealed that large language models (LLMs) develop internal representations corresponding not only to concrete entities but also distinct, human-understandable abstract concepts and behaviour. Moreover, these hidden features can be directly manipulated to steer model behaviour. However, it remains an open question whether this phenomenon is unique to models trained on inherently structured data (ie. language, images) or if it is a general property of foundation models. In this work, we investigate the internal representations of a large physics-focused foundation model. Inspired by recent work identifying single directions in activation space for complex behaviours in LLMs, we extract activation vectors from the model during forward passes over simulation datasets for different physical regimes. We then compute "delta" representations between the two regimes. These delta tensors act as concept directions in activation space, encoding specific physical features. By injecting these concept directions back into the model during inference, we can steer its predictions, demonstrating causal control over physical behaviours, such as inducing or removing some particular physical feature from a simulation. These results suggest that scientific foundation models learn generalised representations of physical principles. They do not merely rely on superficial correlations and patterns in the simulations. Our findings open new avenues for understanding and controlling scientific foundation models and has implications for AI-enabled scientific discovery.
Authors: Dinanath Padhya, Krishna Acharya, Bipul Kumar Dahal, Dinesh Baniya Kshatri
Abstract: Automatic Modulation Classification (AMC) is a core technology for future wireless communication systems, enabling the identification of modulation schemes without prior knowledge. This capability is essential for applications in cognitive radio, spectrum monitoring, and intelligent communication networks. We propose an AMC system based on a hybrid Convolutional Neural Network (CNN) and Long Short-Term Memory (LSTM) architecture, integrated with a Software Defined Radio (SDR) platform. The proposed architecture leverages CNNs for spatial feature extraction and LSTMs for capturing temporal dependencies, enabling efficient handling of complex, time-varying communication signals. The system's practical ability was demonstrated by identifying over-the-air (OTA) signals from a custom-built FM transmitter alongside other modulation schemes. The system was trained on a hybrid dataset combining the RadioML2018 dataset with a custom-generated dataset, featuring samples at Signal-to-Noise Ratios (SNRs) from 0 to 30dB. System performance was evaluated using accuracy, precision, recall, F1 score, and the Area Under the Receiver Operating Characteristic Curve (AUC-ROC). The optimized model achieved 93.48% accuracy, 93.53% precision, 93.48% recall, and an F1 score of 93.45%. The AUC-ROC analysis confirmed the model's discriminative power, even in noisy conditions. This paper's experimental results validate the effectiveness of the hybrid CNN-LSTM architecture for AMC, suggesting its potential application in adaptive spectrum management and advanced cognitive radio systems.
Authors: Umberto Michelucci, Francesca Venturini
Abstract: Machine learning (ML) is increasingly adopted in scientific research, yet the quality and reliability of results often depend on how experiments are designed and documented. Poor baselines, inconsistent preprocessing, or insufficient validation can lead to misleading conclusions about model performance. This paper presents a practical and structured guide for conducting ML experiments in scientific applications, focussing on reproducibility, fair comparison, and transparent reporting. We outline a step-by-step workflow, from dataset preparation to model selection and evaluation, and propose metrics that account for overfitting and instability across validation folds, including the Logarithmic Overfitting Ratio (LOR) and the Composite Overfitting Score (COS). Through recommended practices and example reporting formats, this work aims to support researchers in establishing robust baselines and drawing valid evidence-based insights from ML models applied to scientific problems.
Authors: Muhammad Siddique, Sohaib Zafar
Abstract: Evolving smart grids require flexible and adaptive control methods. A harmonized hybrid cyber-physical framework, which considers both physical and cyber layers and ensures adaptability, is one of the critical challenges to enable sustainable and scalable smart grids. This paper proposes a three-layer (physical, cyber, control) architecture, with an energy management system as the core of the system. Adaptive Dynamic Programming(ADP) and Artificial Intelligence-based optimization techniques are used for sustainability and scalability. The deployment is considered under two contingencies: Cloud Independent and cloud-assisted. They allow us to test the proposed model under a low-latency localized decision scenario and also under a centralized control scenario. The architecture is simulated on a standard IEEE 33-Bus system, yielding positive results. The proposed framework can ensure grid stability, optimize dispatch, and respond to ever-changing grid dynamics.
Authors: Mathew Vanherreweghe, Michael H. Freedman, Keith M. Adams
Abstract: Recent work by Freedman and Mulligan demonstrated that shallow multilayer perceptrons spontaneously develop Kolmogorov-Arnold geometric (KAG) structure during training on synthetic three-dimensional tasks. However, it remained unclear whether this phenomenon persists in realistic high-dimensional settings and what spatial properties this geometry exhibits. We extend KAG analysis to MNIST digit classification (784 dimensions) using 2-layer MLPs with systematic spatial analysis at multiple scales. We find that KAG emerges during training and appears consistently across spatial scales, from local 7-pixel neighborhoods to the full 28x28 image. This scale-agnostic property holds across different training procedures: both standard training and training with spatial augmentation produce the same qualitative pattern. These findings reveal that neural networks spontaneously develop organized, scale-invariant geometric structure during learning on realistic high-dimensional data.
Authors: Tu Nguyen, Tuan Tran, Wolfgang Nejdl
Abstract: Measuring entity relatedness is a fundamental task for many natural language processing and information retrieval applications. Prior work often studies entity relatedness in static settings and an unsupervised manner. However, entities in real-world are often involved in many different relationships, consequently entity-relations are very dynamic over time. In this work, we propose a neural networkbased approach for dynamic entity relatedness, leveraging the collective attention as supervision. Our model is capable of learning rich and different entity representations in a joint framework. Through extensive experiments on large-scale datasets, we demonstrate that our method achieves better results than competitive baselines.
Authors: Xueying Bai, Jinghuan Shang, Yifan Sun, Niranjan Balasubramanian
Abstract: Continual learning aims to sequentially learn new tasks without forgetting previous tasks' knowledge (catastrophic forgetting). One factor that can cause forgetting is the interference between the gradients on losses from different tasks. When the gradients on the current task's loss are in opposing directions to those on previous tasks' losses, updating the model for the current task may cause performance degradation on previous tasks. In this paper, we first identify causes of the above interference, and hypothesize that correlations between data representations are a key factor of interference. We then propose a method for promoting appropriate correlations between arbitrary tasks' data representations (i.e., global alignment) in individual task learning. Specifically, we learn the data representation as a task-specific composition of pre-trained token representations shared across all tasks. Then the correlations between different tasks' data representations are grounded by correlations between pre-trained token representations. We explore different ways to learn such compositions. Without experience replay, our model achieves SOTA performance in continual learning tasks. It also achieves advanced class-incremental performance through task-incremental training.
Authors: Adeyemi D. Adeoye, Alberto Bemporad
Abstract: We introduce a notion of self-concordant smoothing for minimizing the sum of two convex functions, one of which is smooth and the other nonsmooth. The key highlight is a natural property of the resulting problem's structure that yields a variable metric selection method and a step length rule especially suited to proximal quasi-Newton algorithms. Also, we efficiently handle specific structures promoted by the nonsmooth term, such as l1-regularization and group lasso penalties. A convergence analysis for the class of proximal quasi-Newton methods covered by our framework is presented. In particular, we obtain guarantees, under standard assumptions, for two algorithms: Prox-N-SCORE (a proximal Newton method) and Prox-GGN-SCORE (a proximal generalized Gauss-Newton method). The latter uses a low-rank approximation of the Hessian inverse, reducing most of the cost of matrix inversion and making it effective for overparameterized machine learning models. Numerical experiments on synthetic and real data demonstrate the efficiency of both algorithms against state-of-the-art approaches. A Julia implementation is publicly available at https://github.com/adeyemiadeoye/SelfConcordantSmoothOptimization.jl.
URLs: https://github.com/adeyemiadeoye/SelfConcordantSmoothOptimization.jl.
Authors: Yingzhen Yang
Abstract: We introduce Transductive Local Complexity (TLC) as a new tool for analyzing the generalization performance of transductive learning methods. Our work extends the classical Local Rademacher Complexity (LRC) to the transductive setting, incorporating substantial and novel components beyond standard inductive LRC analysis. Although LRC has been used to obtain sharp generalization bounds and minimax rates for inductive tasks such as classification and nonparametric regression, it has remained an open problem whether a localized Rademacher complexity framework can be effectively adapted to transductive learning to achieve sharp or nearly sharp bounds consistent with inductive results. We provide an affirmative answer via TLC. TLC is constructed by first deriving a new concentration inequality in Theorem 4.1 for the supremum of empirical processes capturing the gap between test and training losses, termed the test-train process, under uniform sampling without replacement, which leverages a novel combinatorial property of the test-train process and a new proof strategy applying the exponential Efron-Stein inequality twice. A subsequent peeling strategy and a new surrogate variance operator then yield excess risk bounds in the transductive setting that are nearly consistent with classical LRC-based inductive bounds up to a logarithmic gap. We further advance transductive learning through two applications: (1) for realizable transductive learning over binary-valued classes with finite VC dimension and $u \ge m \ge \dVC$ where $u$ and $m$ are the number of test features and training features, our Theorem 6.1 gives a nearly optimal bound $\Theta(\dVC \log(me/\dVC)/m)$ matching the minimax rate $\Theta(\dVC/m)$ up to $\log m$, resolving a decade-old open question; and (2) Theorem 6.3 presents a sharper excess risk bound for transductive kernel learning compared to the current state-of-the-art.
Authors: Mark Stocks
Abstract: We demonstrate a multiplication method based on numbers represented as set of polynomial radix 2 indices stored as an integer list. The 'polynomial integer index multiplication' method is a set of algorithms implemented in python code. We demonstrate the method to be faster than both the Number Theoretic Transform (NTT) and Karatsuba for multiplication within a certain bit range. Also implemented in python code for comparison purposes with the polynomial radix 2 integer method. We demonstrate that it is possible to express any integer or real number as a list of integer indices, representing a finite series in base two. The finite series of integer index representation of a number can then be stored and distributed across multiple CPUs / GPUs. We show that operations of addition and multiplication can be applied as two's complement additions operating on the index integer representations and can be fully distributed across a given CPU / GPU architecture. We demonstrate fully distributed arithmetic operations such that the 'polynomial integer index multiplication' method overcomes the current limitation of parallel multiplication methods. Ie, the need to share common core memory and common disk for the calculation of results and intermediate results.
Authors: Jaeyong Bae, Hawoong Jeong
Abstract: Analyzing neural network dynamics via stochastic gradient descent (SGD) is crucial to building theoretical foundations for deep learning. Previous work has analyzed structured inputs within the \textit{hidden manifold model}, often under the simplifying assumption of a Gaussian distribution. We extend this framework by modeling inputs as Gaussian mixtures to better represent complex, real-world data. Through empirical and theoretical investigation, we demonstrate that with proper standardization, the learning dynamics converges to the behavior seen in the simple Gaussian case. This finding exhibits a form of universality, where diverse structured distributions yield results consistent with Gaussian assumptions, thereby strengthening the theoretical understanding of deep learning models.
Authors: Jase Clarkson, Wenkai Xu, Mihai Cucuringu, Yvik Swan, Gesine Reinert
Abstract: Conformal prediction is a non-parametric technique for constructing prediction intervals or sets from arbitrary predictive models under the assumption that the data is exchangeable. It is popular as it comes with theoretical guarantees on the marginal coverage of the prediction sets and the split conformal prediction variant has a very low computational cost compared to model training. We study the robustness of split conformal prediction in a data contamination setting, where we assume a small fraction of the calibration scores are drawn from a different distribution than the bulk. We quantify the impact of the corrupted data on the coverage and efficiency of the constructed sets when evaluated on "clean" test points, and verify our results with numerical experiments. Moreover, we propose an adjustment in the classification setting which we call Contamination Robust Conformal Prediction, and verify the efficacy of our approach using both synthetic and real datasets.
Authors: Irina Jurenka, Markus Kunesch, Kevin R. McKee, Daniel Gillick, Shaojian Zhu, Sara Wiltberger, Shubham Milind Phal, Katherine Hermann, Daniel Kasenberg, Avishkar Bhoopchand, Ankit Anand, Miruna P\^islar, Stephanie Chan, Lisa Wang, Jennifer She, Parsa Mahmoudieh, Aliya Rysbek, Wei-Jen Ko, Andrea Huber, Brett Wiltshire, Gal Elidan, Roni Rabin, Jasmin Rubinovitz, Amit Pitaru, Mac McAllister, Julia Wilkowski, David Choi, Roee Engelberg, Lidan Hackmon, Adva Levin, Rachel Griffin, Michael Sears, Filip Bar, Mia Mesar, Mana Jabbour, Arslan Chaudhry, James Cohan, Sridhar Thiagarajan, Nir Levine, Ben Brown, Dilan Gorur, Svetlana Grant, Rachel Hashimshoni, Laura Weidinger, Jieru Hu, Dawn Chen, Kuba Dolecki, Canfer Akbulut, Maxwell Bileschi, Laura Culp, Wen-Xin Dong, Nahema Marchal, Kelsie Van Deman, Hema Bajaj Misra, Michael Duah, Moran Ambar, Avi Caciularu, Sandra Lefdal, Chris Summerfield, James An, Pierre-Alexandre Kamienny, Abhinit Mohdi, Theofilos Strinopoulous, Annie Hale, Wayne Anderson, Luis C. Cobo, Niv Efron, Muktha Ananda, Shakir Mohamed, Maureen Heymans, Zoubin Ghahramani, Yossi Matias, Ben Gomes, Lila Ibrahim
Abstract: A major challenge facing the world is the provision of equitable and universal access to quality education. Recent advances in generative AI (gen AI) have created excitement about the potential of new technologies to offer a personal tutor for every learner and a teaching assistant for every teacher. The full extent of this dream, however, has not yet materialised. We argue that this is primarily due to the difficulties with verbalising pedagogical intuitions into gen AI prompts and the lack of good evaluation practices, reinforced by the challenges in defining excellent pedagogy. Here we present our work collaborating with learners and educators to translate high level principles from learning science into a pragmatic set of seven diverse educational benchmarks, spanning quantitative, qualitative, automatic and human evaluations; and to develop a new set of fine-tuning datasets to improve the pedagogical capabilities of Gemini, introducing LearnLM-Tutor. Our evaluations show that LearnLM-Tutor is consistently preferred over a prompt tuned Gemini by educators and learners on a number of pedagogical dimensions. We hope that this work can serve as a first step towards developing a comprehensive educational evaluation framework, and that this can enable rapid progress within the AI and EdTech communities towards maximising the positive impact of gen AI in education.
Authors: William Marfo, Pablo Moriano, Deepak K. Tosh, Shirley V. Moore
Abstract: Modern vehicles rely on a myriad of electronic control units (ECUs) interconnected via controller area networks (CANs) for critical operations. Despite their ubiquitous use and reliability, CANs are susceptible to sophisticated cyberattacks, particularly masquerade attacks, which inject false data that mimic legitimate messages at the expected frequency. These attacks pose severe risks such as unintended acceleration, brake deactivation, and rogue steering. Traditional intrusion detection systems (IDS) often struggle to detect these subtle intrusions due to their seamless integration into normal traffic. This paper introduces a novel framework for detecting masquerade attacks in the CAN bus using graph machine learning (ML). We hypothesize that the integration of shallow graph embeddings with time series features derived from CAN frames enhances the detection of masquerade attacks. We show that by representing CAN bus frames as message sequence graphs (MSGs) and enriching each node with contextual statistical attributes from time series, we can enhance detection capabilities across various attack patterns compared to using graph-based features only. Our method ensures a comprehensive and dynamic analysis of CAN frame interactions, improving robustness and efficiency. Extensive experiments on the ROAD dataset validate the effectiveness of our approach, demonstrating statistically significant improvements in the detection rates of masquerade attacks compared to a baseline that uses graph-based features only as confirmed by Mann-Whitney U and Kolmogorov-Smirnov tests p < 0.05.
Authors: Oliver Wei{\ss}l, Amr Abdellatif, Xingcheng Chen, Giorgi Merabishvili, Vincenzo Riccio, Severin Kacianka, Andrea Stocco
Abstract: Evaluating the behavioral boundaries of deep learning (DL) systems is crucial for understanding their reliability across diverse, unseen inputs. Existing solutions fall short as they rely on untargeted random, model- or latent-based perturbations, due to difficulties in generating controlled input variations. In this work, we introduce Mimicry, a novel black-box test generator for fine-grained, targeted exploration of DL system boundaries. Mimicry performs boundary testing by leveraging the probabilistic nature of DL outputs to identify promising directions for exploration. It uses style-based GANs to disentangle input representations into content and style components, enabling controlled feature mixing to approximate the decision boundary. We evaluated Mimicry's effectiveness in generating boundary inputs for five widely used DL image classification systems of increasing complexity, comparing it to two baseline approaches. Our results show that Mimicry consistently identifies inputs closer to the decision boundary. It generates semantically meaningful boundary test cases that reveal new functional (mis)behaviors, while the baselines produce mainly corrupted or invalid inputs. Thanks to its enhanced control over latent space manipulations, Mimicry remains effective as dataset complexity increases, maintaining competitive diversity and higher validity rates, confirmed by human assessors.
Authors: Youssef Diouane, Mohamed Laghdaf Habiboullah, Dominique Orban
Abstract: We develop R2N, a modified quasi-Newton method for minimizing the sum of a $\mathcal{C}^1$ function $f$ and a lower semi-continuous prox-bounded $h$. Both $f$ and $h$ may be nonconvex. At each iteration, our method computes a step by minimizing the sum of a quadratic model of $f$, a model of $h$, and an adaptive quadratic regularization term. A step may be computed by a variant of the proximal-gradient method. An advantage of R2N over trust-region (TR) methods is that proximal operators do not involve an extra TR indicator. We also develop the variant R2DH, in which the model Hessian is diagonal, which allows us to compute a step without relying on a subproblem solver when $h$ is separable. R2DH can be used as standalone solver, but also as subproblem solver inside R2N. We describe non-monotone variants of both R2N and R2DH. Global convergence of a first-order stationarity measure to zero holds without relying on local Lipschitz continuity of $\nabla f$, while allowing model Hessians to grow unbounded, an assumption particularly relevant to quasi-Newton models. Under Lipschitz-continuity of $\nabla f$, we establish a tight worst-case complexity bound of $O(1 / \epsilon^{2/(1 - p)})$ to bring said measure below $\epsilon > 0$, where $0 \leq p < 1$ controls the growth of model Hessians. The latter must not diverge faster than $|\mathcal{S}_k|^p$, where $\mathcal{S}_k$ is the set of successful iterations up to iteration $k$. When $p = 1$, we establish the tight exponential complexity bound $O(\exp(c \epsilon^{-2}))$ where $c > 0$ is a constant. We describe our Julia implementation and report numerical experience on a classic basis-pursuit problem, an image denoising problem, a minimum-rank matrix completion problem, a nonlinear support vector machine and an inverse nonlinear problem.
Authors: Qizhi Chen, Delin Qu, Junli Liu, Yiwen Tang, Haoming Song, Dong Wang, Bin Zhao, Xuelong Li
Abstract: Reconstructing controllable Gaussian splats for articulated objects from monocular video is especially challenging due to its inherently insufficient constraints. Existing methods address this by relying on dense masks and manually defined control signals, limiting their real-world applications. In this paper, we propose an annotation-free method, FreeGaussian, which mathematically disentangles camera egomotion and articulated movements via flow derivatives. By establishing a connection between 2D flows and 3D Gaussian dynamic flow, our method enables optimization and continuity of dynamic Gaussian motions from flow priors without any control signals. Furthermore, we introduce a 3D spherical vector controlling scheme, which represents the state as a 3D Gaussian trajectory, thereby eliminating the need for complex 1D control signal calculations and simplifying controllable Gaussian modeling. Extensive experiments on articulated objects demonstrate the state-of-the-art visual performance and precise, part-aware controllability of our method. Code is available at: https://github.com/Tavish9/freegaussian.
Authors: Edgar Beck, Hsuan-Yu Lin, Patrick R\"uckert, Yongping Bao, Bettina von Helversen, Sebastian Fehrler, Kirsten Tracht, Armin Dekorsy
Abstract: As early as 1949, Weaver defined communication in a very broad sense to include all procedures by which one mind or technical system can influence another, thus establishing the idea of semantic communication. With the recent success of machine learning in expert assistance systems where sensed information is wirelessly provided to a human to assist task execution, the need to design effective and efficient communications has become increasingly apparent. In particular, semantic communication aims to convey the meaning behind the sensed information relevant for Human Decision-Making (HDM). Regarding the interplay between semantic communication and HDM, many questions remain, such as how to model the entire end-to-end sensing-decision-making process, how to design semantic communication for the HDM and which information should be provided for HDM. To address these questions, we propose to integrate semantic communication and HDM into one probabilistic end-to-end sensing-decision framework that bridges communications and psychology. In our interdisciplinary framework, we model the human through a HDM process, allowing us to explore how feature extraction from semantic communication can best support HDM both in theory and in simulations. In this sense, our study reveals the fundamental design trade-off between maximizing the relevant semantic information and matching the cognitive capabilities of the HDM model. Our initial analysis shows how semantic communication can balance the level of detail with human cognitive capabilities while demanding less bandwidth, power, and latency.
Authors: Zixuan Wu, Francesca Lucchetti, Aleksander Boruch-Gruszecki, Jingmiao Zhao, Carolyn Jane Anderson, Joydeep Biswas, Federico Cassano, Arjun Guha
Abstract: Existing benchmarks for frontier models often test specialized, "PhD-level" knowledge that is difficult for non-experts to grasp. In contrast, we present a benchmark with 613 problems based on the NPR Sunday Puzzle Challenge that requires only general knowledge. Our benchmark is challenging for both humans and models; however correct solutions are easy to verify, and models' mistakes are easy to spot. As LLMs are more widely deployed in society, we believe it is useful to develop benchmarks for frontier models that humans can understand without the need for deep domain expertise. Our work reveals capability gaps that are not evident in existing benchmarks: OpenAI o1 significantly outperforms other reasoning models on our benchmark, despite being on par with other models when tested on benchmarks that test specialized knowledge. Furthermore, our analysis of reasoning outputs uncovers new kinds of failures. DeepSeek R1, for instance, often concedes with "I give up" before providing an answer that it knows is wrong. R1 can also be remarkably "uncertain" in its output and in rare cases, it does not "finish thinking," which suggests the need for techniques to ``wrap up'' before the context window limit is reached. We also quantify the effectiveness of reasoning longer to identify the point beyond which more reasoning is unlikely to improve accuracy on our benchmark.
Authors: Andreas Galanis, Leslie Ann Goldberg, Xusheng Zhang
Abstract: Consider a $k$-SAT formula $\Phi$ where every variable appears at most $d$ times. Let $\sigma$ be a satisfying assignment, sampled proportionally to $e^{\beta m(\sigma)}$ where $m(\sigma)$ is the number of true variables and $\beta$ is a real parameter. Given $\Phi$ and $\sigma$, can we efficiently learn $\beta$? This problem falls into a recent line of work about single-sample (``one-shot'') learning of Markov random fields. Our $k$-SAT setting was recently studied by Galanis, Kalavasis, Kandiros (SODA24). They showed that single-sample learning is possible when roughly $d\leq 2^{k/6.45}$ and impossible when $d\geq (k+1) 2^{k-1}$. In addition to the gap in~$d$, their impossibility result left open the question of whether the feasibility threshold for one-shot learning is dictated by the satisfiability threshold for bounded-degree $k$-SAT formulas. Our main contribution is to answer this question negatively. We show that one-shot learning for $k$-SAT is infeasible well below the satisfiability threshold; in fact, we obtain impossibility results for degrees $d$ as low as $k^2$ when $\beta$ is sufficiently large, and bootstrap this to small values of $\beta$ when $d$ scales exponentially with $k$, via a probabilistic construction. On the positive side, we simplify the analysis of the learning algorithm, obtaining significantly stronger bounds on $d$ in terms of $\beta$. For the uniform case $\beta\rightarrow 0$, we show that learning is possible under the condition $d\lesssim 2^{k/2}$. This is (up to constant factors) all the way to the sampling threshold -- it is known that sampling a uniformly-distributed satisfying assignment is NP-hard for $d\gtrsim 2^{k/2}$.
Authors: Fengwei Teng, Quan Shi, Zhaoyang Yu, Jiayi Zhang, Chenglin Wu, Yuyu Luo, Zhijiang Guo
Abstract: Large Language Models (LLMs) achieve superior performance through training-time scaling, and test-time scaling further enhances their capabilities by conducting effective reasoning during inference. However, as the scale of reasoning increases, existing test-time scaling methods suffer from accumulated historical information, which not only wastes computational resources but also interferes with effective reasoning. To address this issue, we observe that complex reasoning can be achieved by solving a series of independent and self-contained subquestions. These subquestions are essentially \textit{atomic questions}, exhibiting the memoryless property similar to Markov processes. Based on this observation, we propose Atom of Thoughts (\our), where each state transition consists of decomposing the current question into a dependency-based directed acyclic graph and contracting its subquestions, forming a simplified question that maintains answer equivalence with the original problem. This answer preservation enables the iterative \textit{decomposition-contraction} process to naturally form a meaningful Markov reasoning process. Furthermore, these atomic states can be seamlessly integrated into existing test-time scaling methods, enabling \our to serve as a plug-in enhancement for improving reasoning capabilities. Experiments across six benchmarks demonstrate the effectiveness of \our both as a standalone framework and a plug-in enhancement. Notably, on HotpotQA, when applied to gpt-4o-mini, \our achieves an \textbf{80.6\%} F1 score, surpassing o3-mini by \textbf{3.4\%} and DeepSeek-R1 by \textbf{10.6\%}. The code is available at \href{https://github.com/qixucen/atom}{https://github.com/qixucen/atom}.
URLs: https://github.com/qixucen/atom, https://github.com/qixucen/atom
Authors: Mizuki Niihori, Shuichi Nishino, Teruyuki Katsuoka, Tomohiro Shiraishi, Kouichi Taji, Ichiro Takeuchi
Abstract: In real-world applications, anomaly detection (AD) often operates without access to anomalous data, necessitating semi-supervised methods that rely solely on normal data. Among these methods, deep k-nearest neighbor (deep kNN) AD stands out for its interpretability and flexibility, leveraging distance-based scoring in deep latent spaces.Despite its strong performance, deep kNN lacks a mechanism to quantify uncertainty-an essential feature for critical applications such as industrial inspection. To address this limitation, we propose a statistical framework that quantifies the significance of detected anomalies in the form of p-values, thereby enabling control over false positive rates at a user-specified significance level (e.g.,0.05). A central challenge lies in managing selection bias, which we tackle using Selective Inference-a principled method for conducting inference conditioned on data-driven selections. We evaluate our method on diverse datasets and demonstrate that it provides reliable AD well-suited for industrial use cases.
Authors: Zhixin Lu, {\L}ukasz Ku\'smierz, Stefan Mihalas
Abstract: Inferring stochastic dynamics from data is central across the sciences, yet in many applications only unordered, non-sequential measurements are available-often restricted to limited regions of state space-so standard time-series methods do not apply. We introduce DyNoSeD, a first-principles framework that identifies unknown dynamical parameters from such non-sequential data by minimizing Fokker-Planck residuals. We develop two complementary routes: a local route that handles region-restricted data via locally estimated scores, and a global route that fits dynamics from globally sampled data using a kernel Stein discrepancy without explicit density or score estimation. When the dynamics are affine in the unknown parameters, we prove a necessary-and-sufficient condition for the existence and uniqueness of the inferred parameters and derive a sensitivity analysis that identifies which parameters are tightly constrained by the data and which remain effectively free under over-parameterization. For general non-affine case, both routes define differentiable losses amenable to gradient-based optimization. As demonstrations, we recover (i) the three parameters of a stochastic Lorenz system from non-sequential data (region-restricted data for the local route and full steady-state data for the global route) and (ii) a 3x7interaction matrix of a nonlinear gene-regulatory network derived from a published B-cell differentiation model, using only unordered steady-state samples and applying the global route. Finally, we show that the same Fokker-Planck residual viewpoint supports a "dynamics-to-density" complement that trains a normalized density estimator directly from known dynamics without any observations. Overall, IDyNSD provides two first-principles routes for system-identification from non-sequential data, grounded in the Fokker-Planck equation, that link data, density, and stochastic dynamics.
Authors: Dana Rubin, Allan dos Santos Costa, Manvitha Ponnapati, Joseph Jacobson
Abstract: Ribonucleic acid (RNA) plays fundamental roles in biological systems, from carrying genetic information to performing enzymatic function. Understanding and designing RNA can enable novel therapeutic application and biotechnological innovation. To enhance RNA design, in this paper we introduce RiboGen, the first deep learning model to simultaneously generate RNA sequence and all-atom 3D structure. RiboGen leverages the standard Flow Matching with Discrete Flow Matching in a multimodal data representation. RiboGen is based on Euclidean Equivariant neural networks for efficiently processing and learning three-dimensional geometry. Our experiments show that RiboGen can efficiently generate chemically plausible and self-consistent RNA samples, suggesting that co-generation of sequence and structure is a competitive approach for modeling RNA.
Authors: Hoomaan Maskan, Yikun Hou, Suvrit Sra, Alp Yurtsever
Abstract: We introduce a new projection-free (Frank-Wolfe) method for optimizing structured nonconvex functions that are expressed as a difference of two convex functions. This problem class subsumes smooth nonconvex minimization, positioning our method as a promising alternative to the classical Frank-Wolfe algorithm. DC decompositions are not unique; by carefully selecting a decomposition, we can better exploit the problem structure, improve computational efficiency, and adapt to the underlying problem geometry to find better local solutions. We prove that the proposed method achieves a first-order stationary point in $O(1/\epsilon^2)$ iterations, matching the complexity of the standard Frank-Wolfe algorithm for smooth nonconvex minimization in general. Specific decompositions can, for instance, yield a gradient-efficient variant that requires only $O(1/\epsilon)$ calls to the gradient oracle. Finally, we present numerical experiments demonstrating the effectiveness of the proposed method compared to other projection-free algorithms.
Authors: Tobias Christian Nauen, Brian Moser, Federico Raue, Stanislav Frolov, Andreas Dengel
Abstract: Transformers, particularly Vision Transformers (ViTs), have achieved state-of-the-art performance in large-scale image classification. However, they often require large amounts of data and can exhibit biases, such as center or size bias, that limit their robustness and generalizability. This paper introduces ForAug, a novel data augmentation operation that addresses these challenges by explicitly imposing invariances into the training data, which are otherwise part of the neural network architecture. ForAug is constructed by using pretrained foundation models to separate and recombine foreground objects with different backgrounds. This recombination step enables us to take fine-grained control over object position and size, as well as background selection. We demonstrate that using ForAug significantly improves the accuracy of ViTs and other architectures by up to 4.5 percentage points (p.p.) on ImageNet, which translates to 7.3 p.p. on downstream tasks. Importantly, ForAug not only improves accuracy but also opens new ways to analyze model behavior and quantify biases. Namely, we introduce metrics for background robustness, foreground focus, center bias, and size bias and show that using ForAug during training substantially reduces these biases. In summary, ForAug provides a valuable tool for analyzing and mitigating biases, enabling the development of more robust and reliable computer vision models. Our code and dataset are publicly available at https://github.com/tobna/ForAug.
Authors: H\'ector Laria, Alexandra Gomez-Villa, Jiang Qin, Muhammad Atif Butt, Bogdan Raducanu, Javier Vazquez-Corral, Joost van de Weijer, Kai Wang
Abstract: Recent advances in text-to-image (T2I) diffusion models have enabled remarkable control over various attributes, yet precise color specification remains a fundamental challenge. Existing approaches, such as ColorPeel, rely on model personalization, requiring additional optimization and limiting flexibility in specifying arbitrary colors. In this work, we introduce ColorWave, a novel training-free approach that achieves exact RGB-level color control in diffusion models without fine-tuning. By systematically analyzing the cross-attention mechanisms within IP-Adapter, we uncover an implicit binding between textual color descriptors and reference image features. Leveraging this insight, our method rewires these bindings to enforce precise color attribution while preserving the generative capabilities of pretrained models. Our approach maintains generation quality and diversity, outperforming prior methods in accuracy and applicability across diverse object categories. Through extensive evaluations, we demonstrate that ColorWave establishes a new paradigm for structured, color-consistent diffusion-based image synthesis.
Authors: Mateusz Pach, Shyamgopal Karthik, Quentin Bouniot, Serge Belongie, Zeynep Akata
Abstract: Sparse Autoencoders (SAEs) have recently gained attention as a means to improve the interpretability and steerability of Large Language Models (LLMs), both of which are essential for AI safety. In this work, we extend the application of SAEs to Vision-Language Models (VLMs), such as CLIP, and introduce a comprehensive framework for evaluating monosemanticity at the neuron-level in visual representations. To ensure that our evaluation aligns with human perception, we propose a benchmark derived from a large-scale user study. Our experimental results reveal that SAEs trained on VLMs significantly enhance the monosemanticity of individual neurons, with sparsity and wide latents being the most influential factors. Further, we demonstrate that applying SAE interventions on CLIP's vision encoder directly steers multimodal LLM outputs (e.g., LLaVA), without any modifications to the underlying language model. These findings emphasize the practicality and efficacy of SAEs as an unsupervised tool for enhancing both interpretability and control of VLMs. Code and benchmark data are available at https://github.com/ExplainableML/sae-for-vlm.
Authors: Samuel Weidemaier, Florine Hartwig, Josua Sassen, Sergio Conti, Mirela Ben-Chen, Martin Rumpf
Abstract: We propose a novel variational approach for computing neural Signed Distance Fields (SDF) from unoriented point clouds. To this end, we replace the commonly used eikonal equation with the heat method, carrying over to the neural domain what has long been standard practice for computing distances on discrete surfaces. This yields two convex optimization problems for whose solution we employ neural networks: We first compute a neural approximation of the gradients of the unsigned distance field through a small time step of heat flow with weighted point cloud densities as initial data. Then we use it to compute a neural approximation of the SDF. We prove that the underlying variational problems are well-posed. Through numerical experiments, we demonstrate that our method provides state-of-the-art surface reconstruction and consistent SDF gradients. Furthermore, we show in a proof-of-concept that it is accurate enough for solving a PDE on the zero-level set.
Authors: Tianliang Yao, Bo Lu, Markus Kowarschik, Yixuan Yuan, Hubin Zhao, Sebastien Ourselin, Kaspar Althoefer, Junbo Ge, Peng Qi
Abstract: Endovascular procedures have revolutionized vascular disease treatment, yet their manual execution is challenged by the demands for high precision, operator fatigue, and radiation exposure. Robotic systems have emerged as transformative solutions to mitigate these inherent limitations. A pivotal moment has arrived, where a confluence of pressing clinical needs and breakthroughs in AI creates an opportunity for a paradigm shift toward Embodied Intelligence (EI), enabling robots to navigate complex vascular networks and adapt to dynamic physiological conditions. Data-driven approaches, leveraging advanced computer vision, medical image analysis, and machine learning, drive this evolution by enabling real-time vessel segmentation, device tracking, and anatomical landmark detection. Reinforcement learning and imitation learning further enhance navigation strategies and replicate expert techniques. This review systematically analyzes the integration of EI into endovascular robotics, identifying profound systemic challenges such as the heterogeneity in validation standards and the gap between human mimicry and machine-native capabilities. Based on this analysis, a conceptual roadmap is proposed that reframes the ultimate objective away from systems that supplant clinical decision-making. This vision of augmented intelligence, where the clinician's role evolves into that of a high-level supervisor, provides a principled foundation for the future of the field.
Authors: Yanhao 'Max' Wei, Zhenling Jiang
Abstract: We develop pre-trained estimators for structural econometric models. The estimator uses a neural net to recognize the structural model's parameter from data patterns. Once trained, the estimator can be shared and applied to different datasets at negligible cost and effort. Under sufficient training, the estimator converges to the Bayesian posterior given the data patterns. As an illustration, we construct a pretrained estimator for a sequential search model (available at pnnehome.github.io). Estimation takes only seconds and achieves high accuracy on 12 real datasets. More broadly, pretrained estimators can make structural models much easier to use and more accessible.
Authors: Payal Varshney, Adriano Lucieri, Christoph Balada, Andreas Dengel, Sheraz Ahmed
Abstract: Concept-based explanations have emerged as an effective approach within Explainable Artificial Intelligence, enabling interpretable insights by aligning model decisions with human-understandable concepts. However, existing methods rely on computationally intensive procedures and struggle to efficiently capture complex, semantic concepts. This work introduces the Concept Directions via Latent Clustering (CDLC), which extracts global, class-specific concept directions by clustering latent difference vectors derived from factual and diffusion-generated counterfactual image pairs. CDLC reduces storage requirements by ~4.6% and accelerates concept discovery by ~5.3% compared to the baseline method, while requiring no GPU for clustering, thereby enabling efficient extraction of multidimensional semantic concepts across latent dimensions. This approach is validated on a real-world skin lesion dataset, demonstrating that the extracted concept directions align with clinically recognized dermoscopic features and, in some cases, reveal dataset-specific biases or unknown biomarkers. These results highlight that CDLC is interpretable, scalable, and applicable across high-stakes domains and diverse data modalities.
Authors: Andr\'e Silva, Gustav Thor\'en, Martin Monperrus
Abstract: Automatic program repair seeks to generate correct code from buggy programs, with most approaches searching the correct program in a discrete, symbolic space of source code tokens. This symbolic search is fundamentally limited by its inability to directly reason about program behavior. We introduce Gradient-Based Program Repair (GBPR), a new paradigm that reframes program repair as continuous optimization in a differentiable numerical program space. Our core insight is to compile symbolic programs into differentiable numerical representations, enabling search in the numerical program space directly guided by program behavior. To evaluate GBPR, we present RaspBugs, a new benchmark of 1,466 buggy symbolic RASP programs and their respective numerical representations. Our experiments demonstrate that GBPR can effectively repair buggy symbolic programs by gradient-based optimization in the numerical program space, with convincing repair trajectories. To our knowledge, we are the first to state program repair as continuous optimization in a numerical program space. Our work establishes a new direction for program repair research, bridging two rich worlds: continuous optimization and program behavior.
Authors: Vittorio Erba, Emanuele Troiani, Lenka Zdeborov\'a, Florent Krzakala
Abstract: We study the high-dimensional asymptotics of empirical risk minimization (ERM) in over-parametrized two-layer neural networks with quadratic activations trained on synthetic data. We derive sharp asymptotics for both training and test errors by mapping the $\ell_2$-regularized learning problem to a convex matrix sensing task with nuclear norm penalization. This reveals that capacity control in such networks emerges from a low-rank structure in the learned feature maps. Our results characterize the global minima of the loss and yield precise generalization thresholds, showing how the width of the target function governs learnability. This analysis bridges and extends ideas from spin-glass methods, matrix factorization, and convex optimization and emphasizes the deep link between low-rank matrix sensing and learning in quadratic neural networks.
Authors: Yunqi Hong, Sohyun An, Andrew Bai, Neil Y. C. Lin, Cho-Jui Hsieh
Abstract: Despite Multimodal Large Language Models (MLLMs) showing promising results on general zero-shot image classification tasks, fine-grained image classification remains challenging. It demands precise attention to subtle visual details to distinguish between visually similar subcategories--details that MLLMs may easily overlook without explicit guidance. To address this, we introduce AutoSEP, an iterative self-supervised prompt learning framework designed to enhance MLLM fine-grained classification capabilities in a fully unsupervised manner. Our core idea is to leverage unlabeled data to learn a description prompt that guides MLLMs in identifying crucial discriminative features within an image, and boosts classification accuracy. We developed an automatic self-enhancing prompt learning framework called AutoSEP to iteratively improve the description prompt using unlabeled data, based on instance-level classification scoring function. AutoSEP only requires black-box access to MLLMs, eliminating the need for any training or fine-tuning. We evaluate our approach on multiple fine-grained classification datasets. It consistently outperforms other unsupervised baselines, demonstrating the effectiveness of our self-supervised optimization framework. Notably, AutoSEP on average improves 13 percent over standard zero-shot classification and 5 percent over the best-performing baselines. Code is available at: https://github.com/yq-hong/AutoSEP
Authors: Yang Wang, Yin Xu, Cixiao Zhang, Zhiyong Chen, Mingzeng Dai, Haiming Wang, Bingchao Liu, Dazhi He, Meixia Tao
Abstract: Reconfigurable intelligent surface (RIS) has been recognized as a promising technology for next-generation wireless communications. However, the performance of RIS-assisted systems critically depends on accurate channel state information (CSI). To address this challenge, this letter proposes a novel channel estimation method for RIS-aided millimeter-wave (mmWave) systems based on diffusion models (DMs). Specifically, the forward diffusion process of the original signal is formulated to model the received signal as a noisy observation within the framework of DMs. Subsequently, the channel estimation task is formulated as the reverse diffusion process, and a sampling algorithm based on denoising diffusion implicit models (DDIMs) is developed to enable effective inference. Furthermore, a lightweight neural network, termed BRCNet, is introduced to replace the conventional U-Net, significantly reducing the number of parameters and computational complexity. Extensive experiments conducted under various scenarios demonstrate that the proposed method consistently outperforms existing baselines.
Authors: Ren Yi, Octavian Suciu, Adria Gascon, Sarah Meiklejohn, Eugene Bagdasarian, Marco Gruteser
Abstract: We study the ability of language models to reason about appropriate information disclosure - a central aspect of the evolving field of agentic privacy. Whereas previous works have focused on evaluating a model's ability to align with human decisions, we examine the role of ambiguity and missing context on model performance when making information-sharing decisions. We identify context ambiguity as a crucial barrier for high performance in privacy assessments. By designing Camber, a framework for context disambiguation, we show that model-generated decision rationales can reveal ambiguities and that systematically disambiguating context based on these rationales leads to significant accuracy improvements (up to 13.3% in precision and up to 22.3% in recall) as well as reductions in prompt sensitivity. Overall, our results indicate that approaches for context disambiguation are a promising way forward to enhance agentic privacy reasoning.
Authors: Yujie Liu, Vincent Y. F. Tan, Yunbei Xu
Abstract: We introduce an original minimax framework for finite-time performance analysis in queueing control and propose a surprisingly simple Lyapunov-based scheduling policy with superior finite-time performance. The framework quantitatively characterizes how the expected total queue length scales with key system parameters, including the capacity of the scheduling set and the variability of arrivals and departures across queues. To our knowledge, this provides the first firm foundation for evaluating and comparing scheduling policies in the finite-time regime, including nonstationary settings, and shows that the proposed policy can provably and empirically outperform classical MaxWeight in finite time. Within this framework, we establish three main sets of results. First, we derive minimax lower bounds on the expected total queue length for parallel-queue scheduling via a novel Brownian coupling argument. Second, we propose a new policy, LyapOpt, which minimizes the full quadratic Lyapunov drift-capturing both first- and second-order terms-and achieves optimal finite-time performance in heavy traffic while retaining classical stability guarantees. Third, we identify a key limitation of the classical MaxWeight policy, which optimizes only the first-order drift: its finite-time performance depends suboptimally on system parameters, leading to substantially larger backlogs in explicitly characterized settings. Together, these results delineate the scope and limitations of classical drift-based scheduling and motivate new queueing-control methods with rigorous finite-time guarantees.
Authors: Yuqi Wu, Wenzhao Zheng, Jie Zhou, Jiwen Lu
Abstract: Dense 3D scene reconstruction from an ordered sequence or unordered image collections is a critical step when bringing research in computer vision into practical scenarios. Following the paradigm introduced by DUSt3R, which unifies an image pair densely into a shared coordinate system, subsequent methods maintain an implicit memory to achieve dense 3D reconstruction from more images. However, such implicit memory is limited in capacity and may suffer from information loss of earlier frames. We propose Point3R, an online framework targeting dense streaming 3D reconstruction. To be specific, we maintain an explicit spatial pointer memory directly associated with the 3D structure of the current scene. Each pointer in this memory is assigned a specific 3D position and aggregates scene information nearby in the global coordinate system into a changing spatial feature. Information extracted from the latest frame interacts explicitly with this pointer memory, enabling dense integration of the current observation into the global coordinate system. We design a 3D hierarchical position embedding to promote this interaction and design a simple yet effective fusion mechanism to ensure that our pointer memory is uniform and efficient. Our method achieves competitive or state-of-the-art performance on various tasks with low training costs. Code: https://github.com/YkiWu/Point3R.
Authors: James Bailie, Rabanus Derr
Abstract: Property elicitation studies which attributes of a probability distribution can be determined by minimizing a risk. We investigate a generalization of property elicitation to imprecise probabilities (IP). This investigation is motivated by distributionally robust optimization and multi-distribution learning. Both those frameworks replace the minimization of a single risk over a (precise) probability by a maximin risk minimization over a set of probabilities -- i.e. an IP. We show what can be learned in those multi-distribution setups by providing necessary and sufficient conditions for the elicitability of an IP-property. Central to these conditions is the observation made in related literature that the elicited IP-property is the corresponding classical property of the probability in the IP with the maximum Bayes risk.
Authors: Guixian Xu, Jinglai Li, Junqi Tang
Abstract: In this work, we propose Fast Equivariant Imaging (FEI), a novel unsupervised learning framework to rapidly and efficiently train deep imaging networks without ground-truth data. From the perspective of reformulating the Equivariant Imaging based optimization problem via the method of Lagrange multipliers and utilizing plug-and-play denoisers, this novel unsupervised scheme shows superior efficiency and performance compared to the vanilla Equivariant Imaging paradigm. In particular, our FEI schemes achieve an order-of-magnitude (10x) acceleration over standard EI on training U-Net for X-ray CT reconstruction and image inpainting, with improved generalization performance.
Authors: Lei Zan, Keli Zhang, Ruichu Cai, Lujia Pan
Abstract: Large Language Models (LLMs) have demonstrated strong performance across a wide range of tasks, yet they still struggle with complex mathematical reasoning, a challenge fundamentally rooted in deep structural dependencies. To address this challenge, we propose \textbf{CA}usal \textbf{MA}thematician (\textbf{CAMA}), a two-stage causal framework that equips LLMs with explicit, reusable mathematical structure. In the learning stage, CAMA first constructs the \textbf{M}athematical \textbf{C}ausal \textbf{G}raph (\textbf{MCG}), a high-level representation of solution strategies, by combining LLM priors with causal discovery algorithms applied to a corpus of question-solution pairs. The resulting MCG encodes essential knowledge points and their causal dependencies. To better align the graph with downstream reasoning tasks, CAMA further refines the MCG through iterative feedback derived from a selected subset of the question-solution pairs. In the reasoning stage, given a new question, CAMA dynamically extracts a task-relevant subgraph from the MCG, conditioned on both the question content and the LLM's intermediate reasoning trace. This subgraph, which encodes the most pertinent knowledge points and their causal dependencies, is then injected back into the LLM to guide its reasoning process. Empirical results on real-world datasets show that CAMA significantly improves LLM performance on challenging mathematical problems. Furthermore, our experiments demonstrate that structured guidance consistently outperforms unstructured alternatives, and that incorporating asymmetric causal relationships yields greater improvements than using symmetric associations alone.
Authors: Chuanzhi Xu, Haoxian Zhou, Langyi Chen, Yuk Ying Chung, Qiang Qu
Abstract: Event cameras offer unparalleled advantages such as high temporal resolution, low latency, and high dynamic range. However, their limited spatial resolution poses challenges for fine-grained perception tasks. In this work, we propose an ultra-lightweight, stream-based event-to-event super-resolution method based on Spiking Neural Networks (SNNs), designed for real-time deployment on resource-constrained devices. To further reduce model size, we introduce a novel Dual-Forward Polarity-Split Event Encoding strategy that decouples positive and negative events into separate forward paths through a shared SNN. Furthermore, we propose a Learnable Spatio-temporal Polarity-aware Loss (LearnSTPLoss) that adaptively balances temporal, spatial, and polarity consistency using learnable uncertainty-based weights. Experimental results demonstrate that our method achieves competitive super-resolution performance on multiple datasets while significantly reducing model size and inference time. The lightweight design enables embedding the module into event cameras or using it as an efficient front-end preprocessing for downstream vision tasks.
Authors: Zhongang Cai, Yubo Wang, Qingping Sun, Ruisi Wang, Chenyang Gu, Wanqi Yin, Zhiqian Lin, Zhitao Yang, Chen Wei, Oscar Qian, Hui En Pang, Xuanke Shi, Kewang Deng, Xiaoyang Han, Zukai Chen, Jiaqi Li, Xiangyu Fan, Hanming Deng, Lewei Lu, Bo Li, Ziwei Liu, Quan Wang, Dahua Lin, Lei Yang
Abstract: Multimodal models have achieved remarkable progress in recent years. Nevertheless, they continue to exhibit notable limitations in spatial understanding and reasoning, the very capability that anchors artificial general intelligence in the physical world. With the recent release of GPT-5, allegedly the most powerful AI model to date, it is timely to examine where the leading models (GPT, Gemini, Grok, Seed, Qwen, and Intern) stand on the path toward spatial intelligence (SI). We thus propose EASI for holistic Evaluation of multimodAl LLMs on Spatial Intelligence. EASI conceptualizes a comprehensive taxonomy of spatial tasks that unifies existing benchmarks and a growing collection of newly curated ones, enabling systematic evaluation of state-of-the-art models. In this report, we conduct the study across eight key benchmarks, at a cost exceeding ten billion total tokens. Our empirical study then reveals that (1) GPT-5 demonstrates unprecedented strength in SI, yet (2) still falls short of human performance significantly across a broad spectrum of SI-tasks. Moreover, we (3) show that SI-tasks expose greater model capability deficiency than non-SI tasks, to the extent that (4) proprietary models do not exhibit a decisive advantage when facing the most difficult ones. In addition, we conduct a qualitative evaluation across a diverse set of scenarios that are intuitive for humans, yet fail the most advanced multimodal models. EASI is an ongoing community effort: we have open-sourced the EASI codebase that provides a one-stop and reproducible solution with standardized interfaces, integrated protocols and prompts that significantly reduce the friction of configuring and running multiple benchmarks; we have also launched an accompanying EASI leaderboard to provide a continually updated snapshot of model performance across the full SI spectrum, accelerating collective progress toward robust SI.
Authors: Daniel Daza, Alberto Bernardi, Luca Costabello, Christophe Gueret, Masoud Mansoury, Michael Cochez, Martijn Schut
Abstract: Methods for query answering over incomplete knowledge graphs retrieve entities that are \emph{likely} to be answers, which is particularly useful when such answers cannot be reached by direct graph traversal due to missing edges. However, existing approaches have focused on queries formalized using first-order-logic. In practice, many real-world queries involve constraints that are inherently vague or context-dependent, such as preferences for attributes or related categories. Addressing this gap, we introduce the problem of query answering with soft constraints. We formalize the problem and introduce two efficient methods designed to adjust query answer scores by incorporating soft constraints without disrupting the original answers to a query. These methods are lightweight, requiring tuning only two parameters or a small neural network trained to capture soft constraints while maintaining the original ranking structure. To evaluate the task, we extend existing QA benchmarks by generating datasets with soft constraints. Our experiments demonstrate that our methods can capture soft constraints while maintaining robust query answering performance and adding very little overhead. With our work, we explore a new and flexible way to interact with graph databases that allows users to specify their preferences by providing examples interactively.
Authors: Woojin Chung, Jeonghoon Kim
Abstract: Large language models are trained with tokenizers, and the resulting token distribution is highly imbalanced: a few words dominate the stream while most occur rarely. Recent practice favors ever-larger vocabularies, but it is unclear where the benefit comes from. To this end, we perform a controlled study that scales the vocabulary of the language model from 24K to 196K while holding data, computation, and optimization unchanged. We begin by quantifying the complexity of tokenized text -- formalized via Kolmogorov complexity -- and show that larger vocabularies reduce this complexity. Above 24K, every common word is already tokenized as a single token, so enlarging vocabulary only deepens the relative token-frequency imbalance. Word-level loss decomposition shows that larger vocabularies reduce cross-entropy loss almost exclusively by lowering uncertainty on the 2,500 most frequent words, even though loss on the rare tail rises. The same frequent words cover roughly 75% of tokens in downstream benchmarks, so this training advantage transfers intact. We further show that enlarging model parameters with a fixed vocabulary yields the same frequent-word benefit. Our results recast "bigger vocabularies help" as "lowering complexity of tokenized text helps," offering a simple, principled knob for tokenizer-model co-design and clarifying the loss dynamics that govern language model scaling in pre-training.
Authors: Ayaka Tsutsumi, Guang Li, Ren Togo, Takahiro Ogawa, Satoshi Kondo, Miki Haseyama
Abstract: We propose a novel medical image classification method that integrates dual-model weight selection with self-knowledge distillation (SKD). In real-world medical settings, deploying large-scale models is often limited by computational resource constraints, which pose significant challenges for their practical implementation. Thus, developing lightweight models that achieve comparable performance to large-scale models while maintaining computational efficiency is crucial. To address this, we employ a dual-model weight selection strategy that initializes two lightweight models with weights derived from a large pretrained model, enabling effective knowledge transfer. Next, SKD is applied to these selected models, allowing the use of a broad range of initial weight configurations without imposing additional excessive computational cost, followed by fine-tuning for the target classification tasks. By combining dual-model weight selection with self-knowledge distillation, our method overcomes the limitations of conventional approaches, which often fail to retain critical information in compact models. Extensive experiments on publicly available datasets-chest X-ray images, lung computed tomography scans, and brain magnetic resonance imaging scans-demonstrate the superior performance and robustness of our approach compared to existing methods.
Authors: Mutsumi Kobayashi, Hiroshi Watanabe
Abstract: We investigate how machine learning models acquire the ability to compose music and how musical information is internally represented within such models. We develop a composition algorithm based on a restricted Boltzmann machine (RBM), a simple generative model capable of producing musical pieces of arbitrary length. We convert musical scores into piano-roll image representations and train the RBM in an unsupervised manner. We confirm that the trained RBM can generate new musical pieces; however, by analyzing the model's responses and internal structure, we find that the learned information is not stored in a form directly interpretable by humans. This study contributes to a better understanding of how machine learning models capable of music composition may internally represent musical structure and highlights issues related to the interpretability of generative models in creative tasks.
Authors: Payal Varshney, Adriano Lucieri, Christoph Balada, Sheraz Ahmed, Andreas Dengel
Abstract: Video-based AI systems are increasingly adopted in safety-critical domains such as autonomous driving and healthcare. However, interpreting their decisions remains challenging due to the inherent spatiotemporal complexity of video data and the opacity of deep learning models. Existing explanation techniques often suffer from limited temporal coherence and a lack of actionable causal insights. Current counterfactual explanation methods typically do not incorporate guidance from the target model, reducing semantic fidelity and practical utility. We introduce Latent Diffusion for Video Counterfactual Explanations (LD-ViCE), a novel framework designed to explain the behavior of video-based AI models. Compared to previous approaches, LD-ViCE reduces the computational costs of generating explanations by operating in latent space using a state-of-the-art diffusion model, while producing realistic and interpretable counterfactuals through an additional refinement step. Experiments on three diverse video datasets - EchoNet-Dynamic (cardiac ultrasound), FERV39k (facial expression), and Something-Something V2 (action recognition) with multiple target models covering both classification and regression tasks, demonstrate that LD-ViCE generalizes well and achieves state-of-the-art performance. On the EchoNet-Dynamic dataset, LD-ViCE achieves significantly higher regression accuracy than prior methods and exhibits high temporal consistency, while the refinement stage further improves perceptual quality. Qualitative analyses confirm that LD-ViCE produces semantically meaningful and temporally coherent explanations, providing actionable insights into model behavior. LD-ViCE advances the trustworthiness and interpretability of video-based AI systems through visually coherent counterfactual explanations.
Authors: Nicol\'as Hinrichs, Noah Guzm\'an, Melanie Weber
Abstract: Effective analysis in neuroscience benefits significantly from robust conceptual frameworks. Traditional metrics of interbrain synchrony in social neuroscience typically depend on fixed, correlation-based approaches, restricting their explanatory capacity to descriptive observations. Inspired by the successful integration of geometric insights in network science, we propose leveraging discrete geometry to examine the dynamic reconfigurations in neural interactions during social exchanges. Unlike conventional synchrony approaches, our method interprets inter-brain connectivity changes through the evolving geometric structures of neural networks. This geometric framework is realized through a pipeline that identifies critical transitions in network connectivity using entropy metrics derived from curvature distributions. By doing so, we significantly enhance the capacity of hyperscanning methodologies to uncover underlying neural mechanisms in interactive social behavior.
Authors: Adhiraj Banerjee, Vipul Arora
Abstract: Text-guided sound separation supports flexible audio editing across media and assistive applications, but existing models like AudioSep are too compute-heavy for edge deployment. Neural audio codec (NAC) models such as CodecFormer and SDCodec are compute-efficient but limited to fixed-class separation. We introduce CodecSep, the first NAC-based model for on-device universal, text-driven separation. CodecSep combines DAC compression with a Transformer masker modulated by CLAP-derived FiLM parameters. Across six open-domain benchmarks under matched training/prompt protocols, \textbf{CodecSep} surpasses \textbf{AudioSep} in separation fidelity (SI-SDR) while remaining competitive in perceptual quality (ViSQOL) and matching or exceeding fixed-stem baselines (TDANet, CodecFormer, SDCodec). In code-stream deployments, it needs just 1.35~GMACs end-to-end -- approximately $54\times$ less compute ($25\times$ architecture-only) than spectrogram-domain separators like AudioSep -- while remaining fully bitstream-compatible.
Authors: Jianwei Qin, Yanbing Liu, Yan Liu, Xun Liu, Wei Li, Fangwei Ye
Abstract: All-optical neural networks (AONNs) have emerged as a promising paradigm for ultrafast and energy-efficient computation. These networks typically consist of multiple serially connected layers between input and output layers--a configuration we term spatially series AONNs, with deep neural networks (DNNs) being the most prominent examples. However, such series architectures suffer from progressive signal degradation during information propagation and critically require additional nonlinearity designs to model complex relationships effectively. Here we propose a spatially parallel architecture for all-optical neural networks (SP-AONNs). Unlike series architecture that sequentially processes information through consecutively connected optical layers, SP-AONNs divide the input signal into identical copies fed simultaneously into separate optical layers. Through coherent interference between these parallel linear sub-networks, SP-AONNs inherently enable nonlinear computation without relying on active nonlinear components or iterative updates. We implemented a modular 4F optical system for SP-AONNs and evaluated its performance across multiple image classification benchmarks. Experimental results demonstrate that increasing the number of parallel sub-networks consistently enhances accuracy, improves noise robustness, and expands model expressivity. Our findings highlight spatial parallelism as a practical and scalable strategy for advancing the capabilities of optical neural computing.
Authors: Minghao Han, Kiwan Wong, Adrian Wing-Keung Law, Xunyuan Yin
Abstract: In this work, we propose a meta-learning-based Koopman modeling and predictive control approach for nonlinear systems with parametric uncertainties. An adaptive deep meta-learning-based modeling approach, called Meta Adaptive Koopman Operator (MAKO), is proposed. Without knowledge of the parametric uncertainty, the proposed MAKO approach can learn a meta-model from a multi-modal dataset and efficiently adapt to new systems with previously unseen parameter settings by using online data. Based on the learned meta Koopman model, a predictive control scheme is developed, and the stability of the closed-loop system is ensured even in the presence of previously unseen parameter settings. Through extensive simulations, our proposed approach demonstrates superior performance in both modeling accuracy and control efficacy as compared to competitive baselines.
Authors: Weilong Chen, Franz G\"orlich, Paul Fuchs, Julija Zavadlav
Abstract: Coarse-graining (CG) enables molecular dynamics (MD) simulations of larger systems and longer timescales that are otherwise infeasible with atomistic models. Machine learning potentials (MLPs), with their capacity to capture many-body interactions, can provide accurate approximations of the potential of mean force (PMF) in CG models. Current CG MLPs are typically trained in a bottom-up manner via force matching, which in practice relies on configurations sampled from the unbiased equilibrium Boltzmann distribution to ensure thermodynamic consistency. This convention poses two key limitations: first, sufficiently long atomistic trajectories are needed to reach convergence; and second, even once equilibrated, transition regions remain poorly sampled. To address these issues, we employ enhanced sampling to bias along CG degrees of freedom for data generation, and then recompute the forces with respect to the unbiased potential. This strategy simultaneously shortens the simulation time required to produce equilibrated data and enriches sampling in transition regions, while preserving the correct PMF. We demonstrate its effectiveness on the M\"uller-Brown potential and capped alanine, achieving notable improvements. Our findings support the use of enhanced sampling for force matching as a promising direction to improve the accuracy and reliability of CG MLPs.
Authors: Michelle Yuan, Khushbu Pahwa, Shuaichen Chang, Mustafa Kaba, Jiarong Jiang, Xiaofei Ma, Yi Zhang, Monica Sunkara
Abstract: Designing effective agentic systems requires the seamless composition and integration of agents, tools, and models within dynamic and uncertain environments. Most existing methods rely on static, semantic retrieval approaches for tool or agent discovery. However, effective reuse and composition of existing components remain challenging due to incomplete capability descriptions and the limitations of retrieval methods. Component selection suffers because the decisions are not based on capability, cost, and real-time utility. To address these challenges, we introduce a structured, automated framework for agentic system composition that is inspired by the knapsack problem. Our framework enables a composer agent to systematically identify, select, and assemble an optimal set of agentic components by jointly considering performance, budget constraints, and compatibility. By dynamically testing candidate components and modeling their utility in real-time, our approach streamlines the assembly of agentic systems and facilitates scalable reuse of resources. Empirical evaluation with Claude 3.5 Sonnet across five benchmarking datasets shows that our online-knapsack-based composer consistently lies on the Pareto frontier, achieving higher success rates at significantly lower component costs compared to our baselines. In the single-agent setup, the online knapsack composer shows a success rate improvement of up to 31.6% in comparison to the retrieval baselines. In multi-agent systems, the online knapsack composer increases success rate from 37% to 87% when agents are selected from an agent inventory of 100+ agents. The substantial performance gap confirms the robust adaptability of our method across diverse domains and budget constraints.
Authors: Yovin Yahathugoda, Davide Prezzi, Piyalitt Ittichaiwong, Vicky Goh, Sebastien Ourselin, Michela Antonelli
Abstract: Active Surveillance (AS) is a treatment option for managing low and intermediate-risk prostate cancer (PCa), aiming to avoid overtreatment while monitoring disease progression through serial MRI and clinical follow-up. Accurate prostate segmentation is an important preliminary step for automating this process, enabling automated detection and diagnosis of PCa. However, existing deep-learning segmentation models are often trained on single-time-point and expertly annotated datasets, making them unsuitable for longitudinal AS analysis, where multiple time points and a scarcity of expert labels hinder their effective fine-tuning. To address these challenges, we propose MambaX-Net, a novel semi-supervised, dual-scan 3D segmentation architecture that computes the segmentation for time point t by leveraging the MRI and the corresponding segmentation mask from the previous time point. We introduce two new components: (i) a Mamba-enhanced Cross-Attention Module, which integrates the Mamba block into cross attention to efficiently capture temporal evolution and long-range spatial dependencies, and (ii) a Shape Extractor Module that encodes the previous segmentation mask into a latent anatomical representation for refined zone delination. Moreover, we introduce a semi-supervised self-training strategy that leverages pseudo-labels generated from a pre-trained nnU-Net, enabling effective learning without expert annotations. MambaX-Net was evaluated on a longitudinal AS dataset, and results showed that it significantly outperforms state-of-the-art U-Net and Transformer-based models, achieving superior prostate zone segmentation even when trained on limited and noisy data.
Authors: Xiaogang Jia, Qian Wang, Anrui Wang, Han A. Wang, Bal\'azs Gyenes, Emiliyan Gospodinov, Xinkai Jiang, Ge Li, Hongyi Zhou, Weiran Liao, Xi Huang, Maximilian Beck, Moritz Reuss, Rudolf Lioutikov, Gerhard Neumann
Abstract: Robotic manipulation systems benefit from complementary sensing modalities, where each provides unique environmental information. Point clouds capture detailed geometric structure, while RGB images provide rich semantic context. Current point cloud methods struggle to capture fine-grained detail, especially for complex tasks, which RGB methods lack geometric awareness, which hinders their precision and generalization. We introduce PointMapPolicy, a novel approach that conditions diffusion policies on structured grids of points without downsampling. The resulting data type makes it easier to extract shape and spatial relationships from observations, and can be transformed between reference frames. Yet due to their structure in a regular grid, we enable the use of established computer vision techniques directly to 3D data. Using xLSTM as a backbone, our model efficiently fuses the point maps with RGB data for enhanced multi-modal perception. Through extensive experiments on the RoboCasa and CALVIN benchmarks and real robot evaluations, we demonstrate that our method achieves state-of-the-art performance across diverse manipulation tasks. The overview and demos are available on our project page: https://point-map.github.io/Point-Map/
Authors: Fares Fourati
Abstract: Recent approaches to evaluating Artificial General Intelligence (AGI) typically summarize a system's capability using the arithmetic mean of its proficiencies across multiple cognitive domains. While simple, this implicitly assumes compensability: exceptional performance in some areas can offset severe deficiencies in others. Genuine general intelligence, however, requires coherent sufficiency: balanced competence across all essential faculties. We introduce a coherence-based measure of AGI that integrates the generalized mean over a continuum of compensability exponents. This yields an area-under-the-curve (AUC) metric spanning arithmetic, geometric, and harmonic regimes, quantifying how robust an evaluated capability remains as compensability assumptions become stricter. Unlike the arithmetic mean, which rewards specialization, the AUC penalizes imbalance and exposes bottlenecks that constrain performance. To illustrate the framework, we apply it to cognitive profiles derived from the Cattell-Horn-Carroll (CHC) model, showing how coherence-based aggregation highlights imbalances that are obscured by arithmetic averaging. As a second, independent example, we apply the same methodology to a set of 17 heterogeneous benchmarks, demonstrating how coherence-based evaluation can reveal unevenness even in narrower task collections. These examples show that the proposed approach offers a principled, interpretable, and stricter foundation for measuring progress toward AGI.
Authors: Meituan LongCat Team, Bairui Wang, Bayan, Bin Xiao, Bo Zhang, Bolin Rong, Borun Chen, Chang Wan, Chao Zhang, Chen Huang, Chen Chen, Chen Chen, Chengxu Yang, Chengzuo Yang, Cong Han, Dandan Peng, Delian Ruan, Detai Xin, Disong Wang, Dongchao Yang, Fanfan Liu, Fengjiao Chen, Fengyu Yang, Gan Dong, Gang Huang, Gang Xu, Guanglu Wan, Guoqiang Tan, Guoqiao Yu, Haibo Qiu, Hao Lu, Hongbo Liu, Hongyu Xiang, Jiaheng Wu, Jian Yang, Jiaxing Liu, Jing Huang, Jingang Wang, Jinrui Ding, Juchao Jiang, Jun Kuang, Jun Wang, Junhui Mei, Ke Ding, Kefeng Zhang, Lei Chen, Liang Shi, Limeng Qiao, Liming Zheng, Lin Ma, Liuyang Guo, Liya Ma, Luying Sun, Man Gao, Mengshen Zhu, Miao Cao, Minliang Lin, Nuo Xu, Peng Shi, Qi Zhang, Qian Fang, Qian Wang, Qian Yang, Quanxiu Wang, Rongxiang Weng, Rongxin Guo, Ruoxuan Liang, Senbin Yang, Shanbo Xu, Shanglin Lei, Shengze Ye, Shimin Chen, Shuaiqi Chen, Shujie Hu, Shuo Li, Siqi Yang, Siyu Xu, Siyu Ren, Song Li, Songxiang Liu, Tianhao Bai, Tianye Dai, Wei Hong, Wei Wang, Weixiao Zhao, Wengang Cao, Wenlong Zhu, Wenlong He, Xi Su, Xi Nan, Xiaohan Zhao, Xiaohao Wang, Xiaoyu Zhao, Xiaoyu Wang, Xiaoyu Li, Xin Pan, Xin Chen, Xiusong Sun, Xu Xiang, Xudong Xing, Xuezhi Cao, Xunliang Cai, Yang Yang, Yanli Tan, Yao Yao, Yerui Sun, Yi Chen, Yifan Lu, Yin Gong, Yining Zhang, Yitian Chen, Yiyang Gan, Yuchen Tang, Yuchen Xie, Yueqian Wang, Yuewen Zheng, Yufei Zhang, Yufeng Zhong, Yulei Qian, Yuqi Peng, Yuqian Li, Yuwei Jiang, Zeyang Hu, Zheng Zhang, Zhengkun Tian, Zhiqing Hong, Zhixiong Zeng, Zhuqi Mi, Ziran Li, Ziwen Wang, Ziyi Zhao, Ziyuan Zhuang, Zizhe Zhao
Abstract: We introduce LongCat-Flash-Omni, a state-of-the-art open-source omni-modal model with 560 billion parameters, excelling at real-time audio-visual interaction. By adopting a curriculum-inspired progressive training strategy that transitions from simpler to increasingly complex modality sequence modeling tasks, LongCat-Flash-Omni attains comprehensive multimodal capabilities while maintaining strong unimodal capability. Building upon LongCat-Flash, which adopts a high-performance Shortcut-connected Mixture-of-Experts (MoE) architecture with zero-computation experts, LongCat-Flash-Omni integrates efficient multimodal perception and speech reconstruction modules. Despite its immense size of 560B parameters (with 27B activated), LongCat-Flash-Omni achieves low-latency real-time audio-visual interaction. For training infrastructure, we developed a modality-decoupled parallelism scheme specifically designed to manage the data and model heterogeneity inherent in large-scale multimodal training. This innovative approach demonstrates exceptional efficiency by sustaining over 90% of the throughput achieved by text-only training. Extensive evaluations show that LongCat-Flash-Omni achieves state-of-the-art performance on omni-modal benchmarks among open-source models. Furthermore, it delivers highly competitive results across a wide range of modality-specific tasks, including text, image, and video understanding, as well as audio understanding and generation. We provide a comprehensive overview of the model architecture design, training procedures, and data strategies, and open-source the model to foster future research and development in the community.
Authors: Francisco Cunha, Yves Lepage, Miguel Couceiro, Zied Bouraoui
Abstract: Analogical reasoning is a powerful inductive mechanism, widely used in human cognition and increasingly applied in artificial intelligence. Formal frameworks for analogical inference have been developed for Boolean domains, where inference is provably sound for affine functions and approximately correct for functions close to affine. These results have informed the design of analogy-based classifiers. However, they do not extend to regression tasks or continuous domains. In this paper, we revisit analogical inference from a foundational perspective. We first present a counterexample showing that existing generalization bounds fail even in the Boolean setting. We then introduce a unified framework for analogical reasoning in real-valued domains based on parameterized analogies defined via generalized means. This model subsumes both Boolean classification and regression, and supports analogical inference over continuous functions. We characterize the class of analogy-preserving functions in this setting and derive both worst-case and average-case error bounds under smoothness assumptions. Our results offer a general theory of analogical inference across discrete and continuous domains.
Authors: Zhongang Cai, Ruisi Wang, Chenyang Gu, Fanyi Pu, Junxiang Xu, Yubo Wang, Wanqi Yin, Zhitao Yang, Chen Wei, Qingping Sun, Tongxi Zhou, Jiaqi Li, Hui En Pang, Oscar Qian, Yukun Wei, Zhiqian Lin, Xuanke Shi, Kewang Deng, Xiaoyang Han, Zukai Chen, Xiangyu Fan, Hanming Deng, Lewei Lu, Liang Pan, Bo Li, Ziwei Liu, Quan Wang, Dahua Lin, Lei Yang
Abstract: Despite remarkable progress, multimodal foundation models still exhibit surprising deficiencies in spatial intelligence. In this work, we explore scaling up multimodal foundation models to cultivate spatial intelligence within the SenseNova-SI family, built upon established multimodal foundations including visual understanding models (i.e., Qwen3-VL and InternVL3) and unified understanding and generation models (i.e., Bagel). We take a principled approach to constructing high-performing and robust spatial intelligence by systematically curating SenseNova-SI-8M: eight million diverse data samples under a rigorous taxonomy of spatial capabilities. SenseNova-SI demonstrates unprecedented performance across a broad range of spatial intelligence benchmarks: 68.7% on VSI-Bench, 43.3% on MMSI, 85.6% on MindCube, 54.6% on ViewSpatial, and 50.1% on SITE, while maintaining strong general multimodal understanding (e.g., 84.9% on MMBench-En). More importantly, we analyze the impact of data scaling, discuss early signs of emergent generalization capabilities enabled by diverse data training, analyze the risk of overfitting and language shortcuts, present a preliminary study on spatial chain-of-thought reasoning, and validate the potential downstream application. SenseNova-SI is an ongoing project, and this report will be updated continuously. All newly trained multimodal foundation models are publicly released to facilitate further research in this direction.
Authors: Arip Asadulaev, Rayan Banerjee, Fakhri Karray, Martin Takac
Abstract: Recently, it was shown that small, looped architectures, such as Tiny Recursive Models (TRMs), can outperform Large Language Models (LLMs) on complex reasoning tasks, including the Abstraction and Reasoning Corpus (ARC). In this work, we investigate a core question: how can we further improve the efficiency of these methods with minimal changes? To address this, we frame the latent reasoning of TRMs as a form of classifier-free guidance and implicit policy improvement algorithm. Building on these insights, we propose a novel training scheme that provides a target for each loop during training. We demonstrate that our approach significantly enhances training efficiency. Our method reduces the total number of forward passes by 18x and eliminates halting mechanisms, while maintaining quality comparable to standard TRMs. Notably, we achieve 24% accuracy on ARC-1 with only 0.8M parameters, outperforming most LLMs.
Authors: Zhenghan Fang, Jian Zheng, Qiaozi Gao, Xiaofeng Gao, Jeremias Sulam
Abstract: Diffusion models have emerged as a dominant paradigm for generative modeling across a wide range of domains, including prompt-conditional generation. The vast majority of samplers, however, rely on forward discretization of the reverse diffusion process and use score functions that are learned from data. Such forward and explicit discretizations can be slow and unstable, requiring a large number of sampling steps to produce good-quality samples. In this work we develop a text-to-image (T2I) diffusion model based on backward discretizations, dubbed ProxT2I, relying on learned and conditional proximal operators instead of score functions. We further leverage recent advances in reinforcement learning and policy optimization to optimize our samplers for task-specific rewards. Additionally, we develop a new large-scale and open-source dataset comprising 15 million high-quality human images with fine-grained captions, called LAION-Face-T2I-15M, for training and evaluation. Our approach consistently enhances sampling efficiency and human-preference alignment compared to score-based baselines, and achieves results on par with existing state-of-the-art and open-source text-to-image models while requiring lower compute and smaller model size, offering a lightweight yet performant solution for human text-to-image generation.
Authors: Szymon Bobek, {\L}ukasz Ba{\l}ec, Grzegorz J. Nalepa
Abstract: Counterfactual explanations enhance the actionable interpretability of machine learning models by identifying the minimal changes required to achieve a desired outcome of the model. However, existing methods often ignore the complex dependencies in real-world datasets, leading to unrealistic or impractical modifications. Motivated by cybersecurity applications in the email marketing domain, we propose a method for generating Diverse, Actionable, and kNowledge-Constrained Explanations (DANCE), which incorporates feature dependencies and causal constraints to ensure plausibility and real-world feasibility of counterfactuals. Our method learns linear and nonlinear constraints from data or integrates expert-provided dependency graphs, ensuring counterfactuals are plausible and actionable. By maintaining consistency with feature relationships, the method produces explanations that align with real-world constraints. Additionally, it balances plausibility, diversity, and sparsity, effectively addressing key limitations in existing algorithms. The work is developed based on a real-life case study with Freshmail, the largest email marketing company in Poland and supported by a joint R&D project Sendguard. Furthermore, we provide an extensive evaluation using 140 public datasets, which highlights its ability to generate meaningful, domain-relevant counterfactuals that outperform other existing approaches based on widely used metrics. The source code for reproduction of the results can be found in a GitHub repository we provide.
Authors: Xintong Li, Haoran Zhang, Xiao Zhou
Abstract: The abundance of fine-grained spatio-temporal data, such as traffic sensor networks, offers vast opportunities for scientific discovery. However, inferring causal relationships from such observational data remains challenging, particularly due to unobserved confounders that are specific to units (e.g., geographical locations) yet influence outcomes over time. Most existing methods for spatio-temporal causal inference assume that all confounders are observed, an assumption that is often violated in practice. In this paper, we introduce Spatio-Temporal Hierarchical Causal Models (ST-HCMs), a novel graphical framework that extends hierarchical causal modeling to the spatio-temporal domain. At the core of our approach is the Spatio-Temporal Collapse Theorem, which shows that a complex ST-HCM converges to a simpler flat causal model as the amount of subunit data increases. This theoretical result enables a general procedure for causal identification, allowing ST-HCMs to recover causal effects even in the presence of unobserved, time-invariant unit-level confounders, a scenario where standard non-hierarchical models fail. We validate the effectiveness of our framework on both synthetic and real-world datasets, demonstrating its potential for robust causal inference in complex dynamic systems.
Authors: Asad Aali, Muhammad Ahmed Mohsin, Vasiliki Bikia, Arnav Singhvi, Richard Gaus, Suhana Bedi, Hejie Cui, Miguel Fuentes, Alyssa Unell, Yifan Mai, Jordan Cahoon, Michael Pfeffer, Roxana Daneshjou, Sanmi Koyejo, Emily Alsentzer, Christopher Potts, Nigam H. Shah, Akshay S. Chaudhari
Abstract: As language models (LMs) are increasingly adopted across domains, high-quality benchmarking frameworks that accurately estimate performance are essential for guiding deployment decisions. While frameworks such as Holistic Evaluation of Language Models (HELM) enable broad evaluation across tasks, they often rely on fixed prompts that fail to generalize across LMs, yielding unrepresentative performance estimates. Unless we approximate each LM's ceiling (maximum achievable via changes to the prompt), we risk underestimating performance. Declarative prompting frameworks, such as DSPy, offer a scalable alternative to manual prompt engineering by crafting structured prompts that can be optimized per task. However, such frameworks have not been systematically evaluated across established benchmarks. We present a reproducible DSPy+HELM framework that introduces structured prompting methods which elicit reasoning, enabling more accurate LM benchmarking. Using four prompting methods, we evaluate four frontier LMs across seven benchmarks (general/medical domain) against existing HELM baseline scores. We find that without structured prompting: (i) HELM underestimates LM performance (by 4% average), (ii) performance estimates vary more across benchmarks ($+$2% standard deviation), (iii) performance gaps are misrepresented (leaderboard rankings flip on 3/7 benchmarks), and (iv) introducing chain-of-thought reduces LM sensitivity to prompt design (smaller $\Delta$ across prompts). To our knowledge, this is the first benchmarking study to systematically integrate structured prompting into an established evaluation framework, demonstrating how scalable performance-ceiling approximation yields more robust, decision-useful benchmarks. We open-source (i) DSPy+HELM Integration (https://github.com/stanford-crfm/helm/pull/3893) and (ii) Prompt Optimization Pipeline (https://github.com/StanfordMIMI/dspy-helm).
URLs: https://github.com/stanford-crfm/helm/pull/3893), https://github.com/StanfordMIMI/dspy-helm).
Authors: Guilin Zhang, Wulan Guo, Ziqi Tan, Hongyang He, Qiang Guan, Hailong Jiang
Abstract: Quantum machine learning (QML) promises compact and expressive representations, but suffers from the measurement bottleneck - a narrow quantum-to-classical readout that limits performance and amplifies privacy risk. We propose a lightweight residual hybrid architecture that concatenates quantum features with raw inputs before classification, bypassing the bottleneck without increasing quantum complexity. Experiments show our model outperforms pure quantum and prior hybrid models in both centralized and federated settings. It achieves up to +55% accuracy improvement over quantum baselines, while retaining low communication cost and enhanced privacy robustness. Ablation studies confirm the effectiveness of the residual connection at the quantum-classical interface. Our method offers a practical, near-term pathway for integrating quantum models into privacy-sensitive, resource-constrained settings like federated edge learning.
Authors: Jerry Lin, Zeyuan Hu, Tom Beucler, Katherine Frields, Hannah Christensen, Walter Hannah, Helge Heuer, Peter Ukkonnen, Laura A. Mansfield, Tian Zheng, Liran Peng, Ritwik Gupta, Pierre Gentine, Yusef Al-Naher, Mingjiang Duan, Kyo Hattori, Weiliang Ji, Chunhan Li, Kippei Matsuda, Naoki Murakami, Shlomo Ron, Marec Serlin, Hongjian Song, Yuma Tanabe, Daisuke Yamamoto, Jianyao Zhou, Mike Pritchard
Abstract: Subgrid machine-learning (ML) parameterizations have the potential to introduce a new generation of climate models that incorporate the effects of higher-resolution physics without incurring the prohibitive computational cost associated with more explicit physics-based simulations. However, important issues, ranging from online instability to inconsistent online performance, have limited their operational use for long-term climate projections. To more rapidly drive progress in solving these issues, domain scientists and machine learning researchers opened up the offline aspect of this problem to the broader machine learning and data science community with the release of ClimSim, a NeurIPS Datasets and Benchmarks publication, and an associated Kaggle competition. This paper reports on the downstream results of the Kaggle competition by coupling emulators inspired by the winning teams' architectures to an interactive climate model (including full cloud microphysics, a regime historically prone to online instability) and systematically evaluating their online performance. Our results demonstrate that online stability in the low-resolution, real-geography setting is reproducible across multiple diverse architectures, which we consider a key milestone. All tested architectures exhibit strikingly similar offline and online biases, though their responses to architecture-agnostic design choices (e.g., expanding the list of input variables) can differ significantly. Multiple Kaggle-inspired architectures achieve state-of-the-art (SOTA) results on certain metrics such as zonal mean bias patterns and global RMSE, indicating that crowdsourcing the essence of the offline problem is one path to improving online performance in hybrid physics-AI climate simulation.
Authors: Zhiwen Zheng, Yiwei Ouyang, Zhao Huang, Tao Zhang, Xiaoshuai Zhang, Huiyu Zhou, Wenwen Tang, Shaowei Jiang, Jin Liu, Xingru Huang
Abstract: Accurately localizing and segmenting obscured objects from faint light patterns beyond the field of view is highly challenging due to multiple scattering and medium-induced perturbations. Most existing methods, based on real-valued modeling or local convolutional operations, are inadequate for capturing the underlying physics of coherent light propagation. Moreover, under low signal-to-noise conditions, these methods often converge to non-physical solutions, severely compromising the stability and reliability of the observation. To address these challenges, we propose a novel physics-driven Wavefront Propagating Compensation Network (WavePCNet) to simulate wavefront propagation and enhance the perception of obscured objects. This WavePCNet integrates the Tri-Phase Wavefront Complex-Propagation Reprojection (TriWCP) to incorporate complex amplitude transfer operators to precisely constrain coherent propagation behavior, along with a momentum memory mechanism to effectively suppress the accumulation of perturbations. Additionally, a High-frequency Cross-layer Compensation Enhancement is introduced to construct frequency-selective pathways with multi-scale receptive fields and dynamically model structural consistency across layers, further boosting the model's robustness and interpretability under complex environmental conditions. Extensive experiments conducted on four physically collected datasets demonstrate that WavePCNet consistently outperforms state-of-the-art methods across both accuracy and robustness.
Authors: Kaifeng Hong, Yinglong Zhang, Xiaoying Hong, Xuewen Xia, Xing Xu
Abstract: Text-attributed graphs require models to effectively combine strong textual understanding with structurally informed reasoning. Existing approaches either rely on GNNs--limited by over-smoothing and hop-dependent diffusion--or employ Transformers that overlook graph topology and treat nodes as isolated sequences. We propose Odin (Oriented Dual-module INtegration), a new architecture that injects graph structure into Transformers at selected depths through an oriented dual-module mechanism. Unlike message-passing GNNs, Odin does not rely on multi-hop diffusion; instead, multi-hop structures are integrated at specific Transformer layers, yielding low-, mid-, and high-level structural abstraction aligned with the model's semantic hierarchy. Because aggregation operates on the global [CLS] representation, Odin fundamentally avoids over-smoothing and decouples structural abstraction from neighborhood size or graph topology. We further establish that Odin's expressive power strictly contains that of both pure Transformers and GNNs. To make the design efficient in large-scale or low-resource settings, we introduce Light Odin, a lightweight variant that preserves the same layer-aligned structural abstraction for faster training and inference. Experiments on multiple text-rich graph benchmarks show that Odin achieves state-of-the-art accuracy, while Light Odin delivers competitive performance with significantly reduced computational cost. Together, Odin and Light Odin form a unified, hop-free framework for principled structure-text integration. The source code of this model has been released at https://github.com/hongkaifeng/Odin.