Authors: Haoxuan Ma, Xishun Liao, Yifan Liu, Chris Stanford, Jiaqi Ma
Abstract: This paper addresses a critical gap in urban mobility modeling by focusing on shift workers, a population segment comprising 15-20% of the workforce in industrialized societies yet systematically underrepresented in traditional transportation surveys and planning. This underrepresentation is revealed in this study by a comparative analysis of GPS and survey data, highlighting stark differences between the bimodal temporal patterns of shift workers and the conventional 9-to-5 schedules recorded in surveys. To address this bias, we introduce a novel transformer-based approach that leverages fragmented GPS trajectory data to generate complete, behaviorally valid activity patterns for individuals working non-standard hours. Our method employs periodaware temporal embeddings and a transition-focused loss function specifically designed to capture the unique activity rhythms of shift workers and mitigate the inherent biases in conventional transportation datasets. Evaluation shows that the generated data achieves remarkable distributional alignment with GPS data from Los Angeles County (Average JSD < 0.02 for all evaluation metrics). By transforming incomplete GPS traces into complete, representative activity patterns, our approach provides transportation planners with a powerful data augmentation tool to fill critical gaps in understanding the 24/7 mobility needs of urban populations, enabling precise and inclusive transportation planning.
Authors: Khalid Ali, Zineddine Bettouche, Andreas Kassler, Andreas Fischer
Abstract: Accurate spatiotemporal traffic forecasting is vital for intelligent resource management in 5G and beyond. However, conventional AI approaches often fail to capture the intricate spatial and temporal patterns that exist, due to e.g., the mobility of users. We introduce a lightweight, dual-path Spatiotemporal Network that leverages a Scalar LSTM (sLSTM) for efficient temporal modeling and a three-layer Conv3D module for spatial feature extraction. A fusion layer integrates both streams into a cohesive representation, enabling robust forecasting. Our design improves gradient stability and convergence speed while reducing prediction error. Evaluations on real-world datasets show superior forecast performance over ConvLSTM baselines and strong generalization to unseen regions, making it well-suited for large-scale, next-generation network deployments. Experimental evaluation shows a 23% MAE reduction over ConvLSTM, with a 30% improvement in model generalization.
Authors: Andrew Kiruluta
Abstract: We introduce a fully spectral learning framework that eliminates traditional neural layers by operating entirely in the wavelet domain. The model applies learnable nonlinear transformations, including soft-thresholding and gain-phase modulation, directly to wavelet coefficients. It also includes a differentiable wavelet basis selection mechanism, enabling adaptive processing using families such as Haar, Daubechies, and Biorthogonal wavelets. Implemented in PyTorch with full 3D support, the model maintains a spectral pipeline without spatial convolutions or attention. On synthetic 3D denoising and natural language tasks from the GLUE benchmark, including SST-2 sentiment classification, the model achieves 89.3 percent accuracy, close to a 4-layer Transformer baseline (90.1 percent), while using 72 percent fewer parameters and 58 percent less peak memory. Faster early convergence is observed due to spectral sparsity priors. In contrast to the quadratic complexity of self-attention and large matrix multiplications in Transformers, our approach uses linear-time wavelet transforms and pointwise nonlinearities, significantly reducing inference cost. This yields a compact, interpretable, and efficient alternative to neural models. Our results support the viability of principled spectral learning in both vision and language tasks, offering new directions for model design without overparameterized architectures.
Authors: Edmund F. Agyemang, Hansapani Rodrigo, Vincent Agbenyeavu
Abstract: Influenza A is responsible for 290,000 to 650,000 respiratory deaths a year, though this estimate is an improvement from years past due to improvements in sanitation, healthcare practices, and vaccination programs. In this study, we perform a comparative analysis of traditional and deep learning models to predict Influenza A outbreaks. Using historical data from January 2009 to December 2023, we compared the performance of traditional ARIMA and Exponential Smoothing(ETS) models with six distinct deep learning architectures: Simple RNN, LSTM, GRU, BiLSTM, BiGRU, and Transformer. The results reveal a clear superiority of all the deep learning models, especially the state-of-the-art Transformer with respective average testing MSE and MAE of 0.0433 \pm 0.0020 and 0.1126 \pm 0.0016 for capturing the temporal complexities associated with Influenza A data, outperforming well known traditional baseline ARIMA and ETS models. These findings of this study provide evidence that state-of-the-art deep learning architectures can enhance predictive modeling for infectious diseases and indicate a more general trend toward using deep learning methods to enhance public health forecasting and intervention planning strategies. Future work should focus on how these models can be incorporated into real-time forecasting and preparedness systems at an epidemic level, and integrated into existing surveillance systems.
Authors: Mohit Gupta, Debjit Bhowmick, Ben Beck
Abstract: Accurate link-level bicycle volume estimation is essential for informed urban and transport planning but it is challenged by extremely sparse count data in urban bicycling networks worldwide. We propose BikeVAE-GNN, a novel dual-task framework augmenting a Hybrid Graph Neural Network (GNN) with Variational Autoencoder (VAE) to estimate Average Daily Bicycle (ADB) counts, addressing sparse bicycle networks. The Hybrid-GNN combines Graph Convolutional Networks (GCN), Graph Attention Networks (GAT), and GraphSAGE to effectively model intricate spatial relationships in sparse networks while VAE generates synthetic nodes and edges to enrich the graph structure and enhance the estimation performance. BikeVAE-GNN simultaneously performs - regression for bicycling volume estimation and classification for bicycling traffic level categorization. We demonstrate the effectiveness of BikeVAE-GNN using OpenStreetMap data and publicly available bicycle count data within the City of Melbourne - where only 141 of 15,933 road segments have labeled counts (resulting in 99% count data sparsity). Our experiments show that BikeVAE-GNN outperforms machine learning and baseline GNN models, achieving a mean absolute error (MAE) of 30.82 bicycles per day, accuracy of 99% and F1-score of 0.99. Ablation studies further validate the effective role of Hybrid-GNN and VAE components. Our research advances bicycling volume estimation in sparse networks using novel and state-of-the-art approaches, providing insights for sustainable bicycling infrastructures.
Authors: Sangwoo Seo, Jimin Seo, Yoonho Lee, Donghyeon Kim, Hyejin Shin, Banghyun Sung, Chanyoung Park
Abstract: Subgraph matching plays an important role in electronic design automation (EDA) and circuit verification. Traditional rule-based methods have limitations in generalizing to arbitrary target circuits. Furthermore, node-to-node matching approaches tend to be computationally inefficient, particularly for large-scale circuits. Deep learning methods have emerged as a potential solution to address these challenges, but existing models fail to efficiently capture global subgraph embeddings or rely on inefficient matching matrices, which limits their effectiveness for large circuits. In this paper, we propose an efficient graph matching approach that utilizes Graph Neural Networks (GNNs) to predict regions of high probability for containing the target circuit. Specifically, we construct various negative samples to enable GNNs to accurately learn the presence of target circuits and develop an approach to directly extracting subgraph embeddings from the entire circuit, which captures global subgraph information and addresses the inefficiency of applying GNNs to all candidate subgraphs. Extensive experiments demonstrate that our approach significantly outperforms existing methods in terms of time efficiency and target region prediction, offering a scalable and effective solution for subgraph matching in large-scale circuits.
Authors: J. Poole, P. Gardner, A. J. Hughes, N. Dervilis, R. S. Mills, T. A. Dardeno, K. Worden
Abstract: Data used for training structural health monitoring (SHM) systems are expensive and often impractical to obtain, particularly labelled data. Population-based SHM presents a potential solution to this issue by considering the available data across a population of structures. However, differences between structures will mean the training and testing distributions will differ; thus, conventional machine learning methods cannot be expected to generalise between structures. To address this issue, transfer learning (TL), can be used to leverage information across related domains. An important consideration is that the lack of labels in the target domain limits data-based metrics to quantifying the discrepancy between the marginal distributions. Thus, a prerequisite for the application of typical unsupervised TL methods is to identify suitable source structures (domains), and a set of features, for which the conditional distributions are related to the target structure. Generally, the selection of domains and features is reliant on domain expertise; however, for complex mechanisms, such as the influence of damage on the dynamic response of a structure, this task is not trivial. In this paper, knowledge of physics is leveraged to select more similar features, the modal assurance criterion (MAC) is used to quantify the correspondence between the modes of healthy structures. The MAC is shown to have high correspondence with a supervised metric that measures joint-distribution similarity, which is the primary indicator of whether a classifier will generalise between domains. The MAC is proposed as a measure for selecting a set of features that behave consistently across domains when subjected to damage, i.e. features with invariance in the conditional distributions. This approach is demonstrated on numerical and experimental case studies to verify its effectiveness in various applications.
Authors: Ethan Lo, Dan C. Lo
Abstract: With manual searching processes, the rate at which scientists and astronomers discover exoplanets is slow because of inefficiencies that require an extensive time of laborious inspections. In fact, as of now there have been about only 5,000 confirmed exoplanets since the late 1900s. Recently, machine learning (ML) has proven to be extremely valuable and efficient in various fields, capable of processing massive amounts of data in addition to increasing its accuracy by learning. Though ML models for discovering exoplanets owned by large corporations (e.g. NASA) exist already, they largely depend on complex algorithms and supercomputers. In an effort to reduce such complexities, in this paper, we report the results and potential benefits of various, well-known ML models in the discovery and validation of extrasolar planets. The ML models that are examined in this study include logistic regression, k-nearest neighbors, and random forest. The dataset on which the models train and predict is acquired from NASA's Kepler space telescope. The initial results show promising scores for each model. However, potential biases and dataset imbalances necessitate the use of data augmentation techniques to further ensure fairer predictions and improved generalization. This study concludes that, in the context of searching for exoplanets, data augmentation techniques significantly improve the recall and precision, while the accuracy varies for each model.
Authors: Aarush Gupta, Kendric Hsu, Syna Mathod
Abstract: Mathematical models in neural networks are powerful tools for solving complex differential equations and optimizing their parameters; that is, solving the forward and inverse problems, respectively. A forward problem predicts the output of a network for a given input by optimizing weights and biases. An inverse problem finds equation parameters or coefficients that effectively model the data. A Physics-Informed Neural Network (PINN) can solve both problems. PINNs inject prior analytical information about the data into the cost function to improve model performance outside the training set boundaries. This also allows PINNs to efficiently solve problems with sparse data without overfitting by extrapolating the model to fit larger trends in the data. The prior information we implement is in the form of differential equations. Residuals are the differences between the left-hand and right-hand sides of corresponding differential equations; PINNs minimize these residuals to effectively solve the differential equation and take advantage of prior knowledge. In this way, the solution and parameters are embedded into the loss function and optimized, allowing both the weights of the neural network and the model parameters to be found simultaneously, solving both the forward and inverse problems in the process. In this paper, we will create PINNs with residuals of varying complexity, beginning with linear and quadratic models and then expanding to fit models for the heat equation and other complex differential equations. We will mainly use Python as the computing language, using the PyTorch library to aid us in our research.
Authors: Xingyu Su, Xiner Li, Yuchao Lin, Ziqian Xie, Degui Zhi, Shuiwang Ji
Abstract: We consider controllable DNA sequence design, where sequences are generated by conditioning on specific biological properties. While language models (LMs) such as GPT and BERT have achieved remarkable success in natural language generation, their application to DNA sequence generation remains largely underexplored. In this work, we introduce ATGC-Gen, an Automated Transformer Generator for Controllable Generation, which leverages cross-modal encoding to integrate diverse biological signals. ATGC-Gen is instantiated with both decoder-only and encoder-only transformer architectures, allowing flexible training and generation under either autoregressive or masked recovery objectives. We evaluate ATGC-Gen on representative tasks including promoter and enhancer sequence design, and further introduce a new dataset based on ChIP-Seq experiments for modeling protein binding specificity. Our experiments demonstrate that ATGC-Gen can generate fluent, diverse, and biologically relevant sequences aligned with the desired properties. Compared to prior methods, our model achieves notable improvements in controllability and functional relevance, highlighting the potential of language models in advancing programmable genomic design. The source code is released at (https://github.com/divelab/AIRS/blob/main/OpenBio/ATGC_Gen).
URLs: https://github.com/divelab/AIRS/blob/main/OpenBio/ATGC_Gen).
Authors: Ugo Lomoio, Pierangelo Veltri, Pietro Hiram Guzzi
Abstract: Deep learning neural networks architectures such Multi Layer Perceptrons (MLP) and Convolutional blocks still play a crucial role in nowadays research advancements. From a topological point of view, these architecture may be represented as graphs in which we learn the functions related to the nodes while fixed edges convey the information from the input to the output. A recent work introduced a new architecture called Kolmogorov Arnold Networks (KAN) that reports how putting learnable activation functions on the edges of the neural network leads to better performances in multiple scenarios. Multiple studies are focusing on optimizing the KAN architecture by adding important features such as dropout regularization, Autoencoders (AE), model benchmarking and last, but not least, the KAN Convolutional Network (KCN) that introduced matrix convolution with KANs learning. This study aims to benchmark multiple versions of vanilla AEs (such as Linear, Convolutional and Variational) against their Kolmogorov-Arnold counterparts that have same or less number of parameters. Using cardiological signals as model input, a total of five different classic AE tasks were studied: reconstruction, generation, denoising, inpainting and anomaly detection. The proposed experiments uses a medical dataset \textit{AbnormalHeartbeat} that contains audio signals obtained from the stethoscope.
Authors: Chenchen Zhao, Zhengyuan Shi, Xiangyu Wen, Chengjie Liu, Yi Liu, Yunhao Zhou, Yuxiang Zhao, Hefei Feng, Yinan Zhu, Gwok-Waa Wan, Xin Cheng, Weiyu Chen, Yongqi Fu, Chujie Chen, Chenhao Xue, Guangyu Sun, Ying Wang, Yibo Lin, Jun Yang, Ning Xu, Xi Wang, Qiang Xu
Abstract: The emergence of multimodal large language models (MLLMs) presents promising opportunities for automation and enhancement in Electronic Design Automation (EDA). However, comprehensively evaluating these models in circuit design remains challenging due to the narrow scope of existing benchmarks. To bridge this gap, we introduce MMCircuitEval, the first multimodal benchmark specifically designed to assess MLLM performance comprehensively across diverse EDA tasks. MMCircuitEval comprises 3614 meticulously curated question-answer (QA) pairs spanning digital and analog circuits across critical EDA stages - ranging from general knowledge and specifications to front-end and back-end design. Derived from textbooks, technical question banks, datasheets, and real-world documentation, each QA pair undergoes rigorous expert review for accuracy and relevance. Our benchmark uniquely categorizes questions by design stage, circuit type, tested abilities (knowledge, comprehension, reasoning, computation), and difficulty level, enabling detailed analysis of model capabilities and limitations. Extensive evaluations reveal significant performance gaps among existing LLMs, particularly in back-end design and complex computations, highlighting the critical need for targeted training datasets and modeling approaches. MMCircuitEval provides a foundational resource for advancing MLLMs in EDA, facilitating their integration into real-world circuit design workflows. Our benchmark is available at https://github.com/cure-lab/MMCircuitEval.
Authors: Jianyuan Bo, Hao Wu, Yuan Fang
Abstract: Text-attributed graphs (TAGs) have emerged as a powerful representation for modeling complex relationships across diverse domains. With the rise of large language models (LLMs), there is growing interest in leveraging their capabilities for graph learning. However, current approaches face significant challenges in embedding structural information into LLM-compatible formats, requiring either computationally expensive alignment mechanisms or manual graph verbalization techniques that often lose critical structural details. Moreover, these methods typically require labeled data from source domains for effective transfer learning, significantly constraining their adaptability. We propose STAG, a novel self-supervised framework that directly quantizes graph structural information into discrete tokens using a frozen codebook. Unlike traditional quantization approaches, our method employs soft assignment and KL divergence guided quantization to address the unique challenges of graph data, which lacks natural tokenization structures. Our framework enables both LLM-based and traditional learning approaches, supporting true zero-shot transfer learning without requiring labeled data even in the source domain. Extensive experiments demonstrate state-of-the-art performance across multiple node classification benchmarks while maintaining compatibility with different LLM architectures, offering an elegant solution to bridging graph learning with LLMs.
Authors: Yihan Wang, Jianing Zhao
Abstract: Graph-structured data are pervasive across domains including social networks, biological networks, and knowledge graphs. Due to their non-Euclidean nature, such data pose significant challenges to conventional machine learning methods. This study investigates graph data structures, classical graph algorithms, and Graph Neural Networks (GNNs), providing comprehensive theoretical analysis and comparative evaluation. Through comparative experiments, we quantitatively assess performance differences between traditional algorithms and GNNs in node classification and clustering tasks. Results show GNNs achieve substantial accuracy improvements of 43% to 70% over traditional methods. We further explore integration strategies between classical algorithms and GNN architectures, providing theoretical guidance for advancing graph representation learning research.
Authors: Obumneme Nwafor, Mohammed Abdul Majeed Al Hooti
Abstract: As green hydrogen emerges as a major component of global decarbonisation, Oman has positioned itself strategically through national auctions and international partnerships. Following two successful green hydrogen project rounds, the country launched its third auction (R3) in the Duqm region. While this area exhibits relative geospatial homogeneity, it is still vulnerable to environmental fluctuations that pose inherent risks to productivity. Despite growing global investment in green hydrogen, operational data remains scarce, with major projects like Saudi Arabia's NEOM facility not expected to commence production until 2026, and Oman's ACME Duqm project scheduled for 2028. This absence of historical maintenance and performance data from large-scale hydrogen facilities in desert environments creates a major knowledge gap for accurate risk assessment for infrastructure planning and auction decisions. Given this data void, environmental conditions emerge as accessible and reliable proxy for predicting infrastructure maintenance pressures, because harsh desert conditions such as dust storms, extreme temperatures, and humidity fluctuations are well-documented drivers of equipment degradation in renewable energy systems. To address this challenge, this paper proposes an Artificial Intelligence decision support system that leverages publicly available meteorological data to develop a predictive Maintenance Pressure Index (MPI), which predicts risk levels and future maintenance demands on hydrogen infrastructure. This tool strengthens regulatory foresight and operational decision-making by enabling temporal benchmarking to assess and validate performance claims over time. It can be used to incorporate temporal risk intelligence into auction evaluation criteria despite the absence of historical operational benchmarks.
Authors: Md Basit Azam, Sarangthem Ibotombi Singh
Abstract: Blood pressure (BP) monitoring is critical in in tensive care units (ICUs) where hemodynamic instability can rapidly progress to cardiovascular collapse. Current machine learning (ML) approaches suffer from three limitations: lack of external validation, absence of uncertainty quantification, and inadequate data leakage prevention. This study presents the first comprehensive framework with novel algorithmic leakage prevention, uncertainty quantification, and cross-institutional validation for electronic health records (EHRs) based BP pre dictions. Our methodology implemented systematic data leakage prevention, uncertainty quantification through quantile regres sion, and external validation between the MIMIC-III and eICU databases. An ensemble framework combines Gradient Boosting, Random Forest, and XGBoost with 74 features across five physiological domains. Internal validation achieved a clinically acceptable performance (for SBP: R^2 = 0.86, RMSE = 6.03 mmHg; DBP: R^2 = 0.49, RMSE = 7.13 mmHg), meeting AAMI standards. External validation showed 30% degradation with critical limitations in patients with hypotensive. Uncertainty quantification generated valid prediction intervals (80.3% SBP and 79.9% DBP coverage), enabling risk-stratified protocols with narrow intervals (< 15 mmHg) for standard monitoring and wide intervals (> 30 mmHg) for manual verification. This framework provides realistic deployment expectations for cross institutional AI-assisted BP monitoring in critical care settings. The source code is publicly available at https://github.com/ mdbasit897/clinical-bp-prediction-ehr.
URLs: https://github.com/
Authors: Ali Shakeri, Wei Emma Zhang, Amin Beheshti, Weitong Chen, Jian Yang, Lishan Yang
Abstract: Pre-trained Language Models (PLMs) have demonstrated impressive performance in various NLP tasks. However, traditional fine-tuning methods for leveraging PLMs for downstream tasks entail significant computational overhead. Prompt-tuning has emerged as an efficient alternative that involves prepending a limited number of parameters to the input sequence and only updating them while the PLM's parameters are frozen. However, this technique's prompts remain fixed for all inputs, reducing the model's flexibility. The Federated Learning (FL) technique has gained attention in recent years to address the growing concerns around data privacy. However, challenges such as communication and computation limitations of clients still need to be addressed. To mitigate these challenges, this paper introduces the Federated Dynamic Prompt Generator (FedDPG), which incorporates a dynamic prompt generator network to generate context-aware prompts based on the given input, ensuring flexibility and adaptability while prioritising data privacy in federated learning settings. Our experiments on three NLP benchmark datasets showcase that FedDPG outperforms the state-of-the-art parameter-efficient fine-tuning methods in terms of global model performance, and has significantly reduced the calculation time and the number of parameters to be sent through the FL network.
Authors: K. -C. Ouyang, S. -Y. Zhang, S. -L. Liu, J. Tian, Y. -H. Li, H. Tong, H. -Y. Bai, W. -H. Wang, Y. -C. Hu
Abstract: Synthesizing new materials efficiently is highly demanded in various research fields. However, this process is usually slow and expensive, especially for metallic glasses, whose formation strongly depends on the optimal combinations of multiple elements to resist crystallization. This constraint renders only several thousands of candidates explored in the vast material space since 1960. Recently, data-driven approaches armed by advanced machine learning techniques provided alternative routes for intelligent materials design. Due to data scarcity and immature material encoding, the conventional tabular data is usually mined by statistical learning algorithms, giving limited model predictability and generalizability. Here, we propose sophisticated data learning from material network representations. The node elements are encoded from the Wikipedia by a language model. Graph neural networks with versatile architectures are designed to serve as recommendation systems to explore hidden relationships among materials. By employing Wikipedia embeddings from different languages, we assess the capability of natural languages in materials design. Our study proposes a new paradigm to harvesting new amorphous materials and beyond with artificial intelligence.
Authors: Khurram Javed, Richard S. Sutton
Abstract: Javed, Sharifnassab, and Sutton (2024) introduced a new algorithm for TD learning -- SwiftTD -- that augments True Online TD($\lambda$) with step-size optimization, a bound on the effective learning rate, and step-size decay. In their experiments SwiftTD outperformed True Online TD($\lambda$) and TD($\lambda$) on a variety of prediction tasks derived from Atari games, and its performance was robust to the choice of hyper-parameters. In this extended abstract we extend SwiftTD to work for control problems. We combine the key ideas behind SwiftTD with True Online Sarsa($\lambda$) to develop an on-policy reinforcement learning algorithm called $\textit{Swift-Sarsa}$. We propose a simple benchmark for linear on-policy control called the $\textit{operant conditioning benchmark}$. The key challenge in the operant conditioning benchmark is that a very small subset of input signals are relevant for decision making. The majority of the signals are noise sampled from a non-stationary distribution. To learn effectively, the agent must learn to differentiate between the relevant signals and the noisy signals, and minimize prediction errors by assigning credit to the weight parameters associated with the relevant signals. Swift-Sarsa, when applied to the operant conditioning benchmark, learned to assign credit to the relevant signals without any prior knowledge of the structure of the problem. It opens the door for solution methods that learn representations by searching over hundreds of millions of features in parallel without performance degradation due to noisy or bad features.
Authors: Pablo Peiro-Corbacho, Long Lin, Pablo \'Avila, Alejandro Carta-Bergaz, \'Angel Arenal, Carlos Sevilla-Salcedo, Gonzalo R. R\'ios-Mu\~noz
Abstract: Atrial Fibrillation (AF) is the most prevalent sustained arrhythmia, yet current ablation therapies, including pulmonary vein isolation, are frequently ineffective in persistent AF due to the involvement of non-pulmonary vein drivers. This study proposes a deep learning framework using convolutional autoencoders for unsupervised feature extraction from unipolar and bipolar intracavitary electrograms (EGMs) recorded during AF in ablation studies. These latent representations of atrial electrical activity enable the characterization and automation of EGM analysis, facilitating the detection of AF drivers. The database consisted of 11,404 acquisitions recorded from 291 patients, containing 228,080 unipolar EGMs and 171,060 bipolar EGMs. The autoencoders successfully learned latent representations with low reconstruction loss, preserving the morphological features. The extracted embeddings allowed downstream classifiers to detect rotational and focal activity with moderate performance (AUC 0.73-0.76) and achieved high discriminative performance in identifying atrial EGM entanglement (AUC 0.93). The proposed method can operate in real-time and enables integration into clinical electroanatomical mapping systems to assist in identifying arrhythmogenic regions during ablation procedures. This work highlights the potential of unsupervised learning to uncover physiologically meaningful features from intracardiac signals.
Authors: Roie Ezraty, Menachem Stern, Shmuel M. Rubinstein
Abstract: Machine Learning, however popular and accessible, is computationally intensive and highly power-consuming, prompting interest in alternative physical implementations of learning tasks. We introduce a training scheme for physical systems that minimize power dissipation in which only boundary parameters (i.e. inputs and outputs) are externally controlled. Using this scheme, these Boundary-Enabled Adaptive State Tuning Systems (BEASTS) learn by exploiting local physical rules. Our scheme, BEASTAL (BEAST-Adaline), is the closest analog of the Adaline algorithm for such systems. We demonstrate this autonomous learning in silico for regression and classification tasks. Our approach advances previous physical learning schemes by using intuitive, local evolution rules without requiring large-scale memory or complex internal architectures. BEASTAL can perform any linear task, achieving best performance when the local evolution rule is non-linear.
Authors: Zhengqi Lin, Andrzej Ruszczy\'nski
Abstract: We propose an efficient federated dual decomposition algorithm for calculating the Wasserstein barycenter of several distributions, including choosing the support of the solution. The algorithm does not access local data and uses only highly aggregated information. It also does not require repeated solutions to mass transportation problems. Because of the absence of any matrix-vector operations, the algorithm exhibits a very low complexity of each iteration and significant scalability. We illustrate its virtues and compare it to the state-of-the-art methods on several examples of mixture models.
Authors: Zain Asgar, Michelle Nguyen, Sachin Katti
Abstract: AI agents are emerging as a dominant workload in a wide range of applications, promising to be the vehicle that delivers the promised benefits of AI to enterprises and consumers. Unlike conventional software or static inference, agentic workloads are dynamic and structurally complex. Often these agents are directed graphs of compute and IO operations that span multi-modal data input and conversion), data processing and context gathering (e.g vector DB lookups), multiple LLM inferences, tool calls, etc. To scale AI agent usage, we need efficient and scalable deployment and agent-serving infrastructure. To tackle this challenge, in this paper, we present a system design for dynamic orchestration of AI agent workloads on heterogeneous compute infrastructure spanning CPUs and accelerators, both from different vendors and across different performance tiers within a single vendor. The system delivers several building blocks: a framework for planning and optimizing agentic AI execution graphs using cost models that account for compute, memory, and bandwidth constraints of different HW; a MLIR based representation and compilation system that can decompose AI agent execution graphs into granular operators and generate code for different HW options; and a dynamic orchestration system that can place the granular components across a heterogeneous compute infrastructure and stitch them together while meeting an end-to-end SLA. Our design performs a systems level TCO optimization and preliminary results show that leveraging a heterogeneous infrastructure can deliver significant TCO benefits. A preliminary surprising finding is that for some workloads a heterogeneous combination of older generation GPUs with newer accelerators can deliver similar TCO as the latest generation homogenous GPU infrastructure design, potentially extending the life of deployed infrastructure.
Authors: Devroop Kar, Zimeng Lyu, Sheeraja Rajakrishnan, Hao Zhang, Alex Ororbia, Travis Desell, Daniel Krutz
Abstract: Stock trading has always been a challenging task due to the highly volatile nature of the stock market. Making sound trading decisions to generate profit is particularly difficult under such conditions. To address this, we propose four novel loss functions to drive decision-making for a portfolio of stocks. These functions account for the potential profits or losses based with respect to buying or shorting respective stocks, enabling potentially any artificial neural network to directly learn an effective trading strategy. Despite the high volatility in stock market fluctuations over time, training time-series models such as transformers on these loss functions resulted in trading strategies that generated significant profits on a portfolio of 50 different S&P 500 company stocks as compared to a benchmark reinforcment learning techniques and a baseline buy and hold method. As an example, using 2021, 2022 and 2023 as three test periods, the Crossformer model adapted with our best loss function was most consistent, resulting in returns of 51.42%, 51.04% and 48.62% respectively. In comparison, the best performing state-of-the-art reinforcement learning methods, PPO and DDPG, only delivered maximum profits of around 41%, 2.81% and 41.58% for the same periods. The code is available at https://anonymous.4open.science/r/bandit-stock-trading-58C8/README.md.
URLs: https://anonymous.4open.science/r/bandit-stock-trading-58C8/README.md.
Authors: Niclas Alexander G\"oring, Charles London, Abdurrahman Hadi Erturk, Chris Mingard, Yoonsoo Nam, Ard A. Louis
Abstract: Neural networks outperform kernel methods, sometimes by orders of magnitude, e.g. on staircase functions. This advantage stems from the ability of neural networks to learn features, adapting their hidden representations to better capture the data. We introduce a concept we call feature quality to measure this performance improvement. We examine existing theories of feature learning and demonstrate empirically that they primarily assess the strength of feature learning, rather than the quality of the learned features themselves. Consequently, current theories of feature learning do not provide a sufficient foundation for developing theories of neural network generalization.
Authors: Bermet Burkanova, Payam Jome Yazdian, Chuxuan Zhang, Trinity Evans, Paige Tutt\"os\'i, Angelica Lim
Abstract: Imagine a humanoid that can safely and creatively dance with a human, adapting to its partner's proficiency, using haptic signaling as a primary form of communication. While today's AI systems excel at text or voice-based interaction with large language models, human communication extends far beyond text-it includes embodied movement, timing, and physical coordination. Modeling coupled interaction between two agents poses a formidable challenge: it is continuous, bidirectionally reactive, and shaped by individual variation. We present CoMPAS3D, the largest and most diverse motion capture dataset of improvised salsa dancing, designed as a challenging testbed for interactive, expressive humanoid AI. The dataset includes 3 hours of leader-follower salsa dances performed by 18 dancers spanning beginner, intermediate, and professional skill levels. For the first time, we provide fine-grained salsa expert annotations, covering over 2,800 move segments, including move types, combinations, execution errors and stylistic elements. We draw analogies between partner dance communication and natural language, evaluating CoMPAS3D on two benchmark tasks for synthetic humans that parallel key problems in spoken language and dialogue processing: leader or follower generation with proficiency levels (speaker or listener synthesis), and duet (conversation) generation. Towards a long-term goal of partner dance with humans, we release the dataset, annotations, and code, along with a multitask SalsaAgent model capable of performing all benchmark tasks, alongside additional baselines to encourage research in socially interactive embodied AI and creative, expressive humanoid motion generation.
Authors: Robert Frenken, Sidra Ghayour Bhatti, Hanqin Zhang, Qadeer Ahmed
Abstract: The Controller Area Network (CAN) protocol is widely adopted for in-vehicle communication but lacks inherent security mechanisms, making it vulnerable to cyberattacks. This paper introduces KD-GAT, an intrusion detection framework that combines Graph Attention Networks (GATs) with knowledge distillation (KD) to enhance detection accuracy while reducing computational complexity. In our approach, CAN traffic is represented as graphs using a sliding window to capture temporal and relational patterns. A multi-layer GAT with jumping knowledge aggregation acting as the teacher model, while a compact student GAT--only 6.32% the size of the teacher--is trained via a two-phase process involving supervised pretraining and knowledge distillation with both soft and hard label supervision. Experiments on three benchmark datasets--Car-Hacking, Car-Survival, and can-train-and-test demonstrate that both teacher and student models achieve strong results, with the student model attaining 99.97% and 99.31% accuracy on Car-Hacking and Car-Survival, respectively. However, significant class imbalance in can-train-and-test has led to reduced performance for both models on this dataset. Addressing this imbalance remains an important direction for future work.
Authors: Yazeed Alrubyli, Omar Alomeir, Abrar Wafa, Di\'ana Hidv\'egi, Hend Alrasheed, Mohsen Bahrami
Abstract: Understanding where people go after visiting one business is crucial for urban planning, retail analytics, and location-based services. However, predicting these co-visitation patterns across millions of venues remains challenging due to extreme data sparsity and the complex interplay between spatial proximity and business relationships. Traditional approaches using only geographic distance fail to capture why coffee shops attract different customer flows than fine dining restaurants, even when co-located. We introduce NAICS-aware GraphSAGE, a novel graph neural network that integrates business taxonomy knowledge through learnable embeddings to predict population-scale co-visitation patterns. Our key insight is that business semantics, captured through detailed industry codes, provide crucial signals that pure spatial models cannot explain. The approach scales to massive datasets (4.2 billion potential venue pairs) through efficient state-wise decomposition while combining spatial, temporal, and socioeconomic features in an end-to-end framework. Evaluated on our POI-Graph dataset comprising 94.9 million co-visitation records across 92,486 brands and 48 US states, our method achieves significant improvements over state-of-the-art baselines: the R-squared value increases from 0.243 to 0.625 (a 157 percent improvement), with strong gains in ranking quality (32 percent improvement in NDCG at 10).
Authors: Anton Danholt Lautrup, Muhammad Rajabinasab, Tobias Hyrup, Arthur Zimek, Peter Schneider-Kamp
Abstract: We propose a new framework for generating cross-sectional synthetic datasets via disjoint generative models. In this paradigm, a dataset is partitioned into disjoint subsets that are supplied to separate instances of generative models. The results are then combined post hoc by a joining operation that works in the absence of common variables/identifiers. The success of the framework is demonstrated through several case studies and examples on tabular data that helps illuminate some of the design choices that one may make. The principal benefit of disjoint generative models is significantly increased privacy at only a low utility cost. Additional findings include increased effectiveness and feasibility for certain model types and the possibility for mixed-model synthesis.
Authors: Rahul Raja, Arpita Vats
Abstract: Vector databases typically rely on approximate nearest neighbor (ANN) search to retrieve the top-k closest vectors to a query in embedding space. While effective, this approach often yields semantically redundant results, missing the diversity and contextual richness required by applications such as retrieval-augmented generation (RAG), multi-hop QA, and memory-augmented agents. We introduce a new retrieval paradigm: semantic compression, which aims to select a compact, representative set of vectors that captures the broader semantic structure around a query. We formalize this objective using principles from submodular optimization and information geometry, and show that it generalizes traditional top-k retrieval by prioritizing coverage and diversity. To operationalize this idea, we propose graph-augmented vector retrieval, which overlays semantic graphs (e.g., kNN or knowledge-based links) atop vector spaces to enable multi-hop, context-aware search. We theoretically analyze the limitations of proximity-based retrieval under high-dimensional concentration and highlight how graph structures can improve semantic coverage. Our work outlines a foundation for meaning-centric vector search systems, emphasizing hybrid indexing, diversity-aware querying, and structured semantic retrieval. We make our implementation publicly available to foster future research in this area.
Authors: Yinzhou Tang, Huandong Wang, Xiaochen Fan, Yong Li
Abstract: The vulnerability of cities to natural disasters has increased with urbanization and climate change, making it more important to predict human mobility in the disaster scenarios for downstream tasks including location-based early disaster warning and pre-allocating rescue resources, etc. However, existing human mobility prediction models are mainly designed for normal scenarios, and fail to adapt to disaster scenarios due to the shift of human mobility patterns under disaster. To address this issue, we introduce \textbf{DisasterMobLLM}, a mobility prediction framework for disaster scenarios that can be integrated into existing deep mobility prediction methods by leveraging LLMs to model the mobility intention and transferring the common knowledge of how different disasters affect mobility intentions between cities. This framework utilizes a RAG-Enhanced Intention Predictor to forecast the next intention, refines it with an LLM-based Intention Refiner, and then maps the intention to an exact location using an Intention-Modulated Location Predictor. Extensive experiments illustrate that DisasterMobLLM can achieve a 32.8\% improvement in terms of Acc@1 and a 35.0\% improvement in terms of the F1-score of predicting immobility compared to the baselines. The code is available at https://github.com/tsinghua-fib-lab/DisasterMobLLM.
Authors: Ziqi Zhang, Shiheng Chen, Runze Yang, Zhisheng Wei, Wei Zhang, Lei Wang, Zhanzhi Liu, Fengshan Zhang, Jing Wu, Xiaoyong Pan, Hongbin Shen, Longbing Cao, Zhaohong Deng
Abstract: Developing enzymes with desired thermal properties is crucial for a wide range of industrial and research applications, and determining temperature stability is an essential step in this process. Experimental determination of thermal parameters is labor-intensive, time-consuming, and costly. Moreover, existing computational approaches are often hindered by limited data availability and imbalanced distributions. To address these challenges, we introduce a curated temperature stability dataset designed for model development and benchmarking in enzyme thermal modeling. Leveraging this dataset, we present the \textit{Segment Transformer}, a novel deep learning framework that enables efficient and accurate prediction of enzyme temperature stability. The model achieves state-of-the-art performance with an RMSE of 24.03, MAE of 18.09, and Pearson and Spearman correlations of 0.33, respectively. These results highlight the effectiveness of incorporating segment-level representations, grounded in the biological observation that different regions of a protein sequence contribute unequally to thermal behavior. As a proof of concept, we applied the Segment Transformer to guide the engineering of a cutinase enzyme. Experimental validation demonstrated a 1.64-fold improvement in relative activity following heat treatment, achieved through only 17 mutations and without compromising catalytic function.
Authors: Xin Zhang, Lissette Iturburu, Juan Nicolas Villamizar, Xiaoyu Liu, Manuel Salmeron, Shirley J. Dyke, Julio Ramirez
Abstract: Structural drawings are widely used in many fields, e.g., mechanical engineering, civil engineering, etc. In civil engineering, structural drawings serve as the main communication tool between architects, engineers, and builders to avoid conflicts, act as legal documentation, and provide a reference for future maintenance or evaluation needs. They are often organized using key elements such as title/subtitle blocks, scales, plan views, elevation view, sections, and detailed sections, which are annotated with standardized symbols and line types for interpretation by engineers and contractors. Despite advances in software capabilities, the task of generating a structural drawing remains labor-intensive and time-consuming for structural engineers. Here we introduce a novel generative AI-based method for generating structural drawings employing a large language model (LLM) agent. The method incorporates a retrieval-augmented generation (RAG) technique using externally-sourced facts to enhance the accuracy and reliability of the language model. This method is capable of understanding varied natural language descriptions, processing these to extract necessary information, and generating code to produce the desired structural drawing in AutoCAD. The approach developed, demonstrated and evaluated herein enables the efficient and direct conversion of a structural drawing's natural language description into an AutoCAD drawing, significantly reducing the workload compared to current working process associated with manual drawing production, facilitating the typical iterative process of engineers for expressing design ideas in a simplified way.
Authors: Saram Abbas, Naeem Soomro, Rishad Shafik, Rakesh Heer, Kabita Adhikari
Abstract: Bladder cancer claims one life every 3 minutes worldwide. Most patients are diagnosed with non-muscle-invasive bladder cancer (NMIBC), yet up to 70% recur after treatment, triggering a relentless cycle of surgeries, monitoring, and risk of progression. Clinical tools like the EORTC risk tables are outdated and unreliable - especially for intermediate-risk cases. We propose an interpretable AI model using the Tsetlin Machine (TM), a symbolic learner that outputs transparent, human-readable logic. Tested on the PHOTO trial dataset (n=330), TM achieved an F1-score of 0.80, outperforming XGBoost (0.78), Logistic Regression (0.60), and EORTC (0.42). TM reveals the exact clauses behind each prediction, grounded in clinical features like tumour count, surgeon experience, and hospital stay - offering accuracy and full transparency. This makes TM a powerful, trustworthy decision-support tool ready for real-world adoption.
Authors: Youngjoon Lee, Hyukjoon Lee, Jinu Gong, Yang Cao, Joonhyuk Kang
Abstract: Federated Learning (FL) is a collaborative learning method that enables decentralized model training while preserving data privacy. Despite its promise in medical imaging, recent FL methods are often sensitive to local factors such as optimizers and learning rates, limiting their robustness in practical deployments. In this work, we revisit vanilla FL to clarify the impact of edge device configurations, benchmarking recent FL methods on colorectal pathology and blood cell classification task. We numerically show that the choice of local optimizer and learning rate has a greater effect on performance than the specific FL method. Moreover, we find that increasing local training epochs can either enhance or impair convergence, depending on the FL method. These findings indicate that appropriate edge-specific configuration is more crucial than algorithmic complexity for achieving effective FL.
Authors: Tiantian Peng, Yuyang Liu, Shuo Yang, Qiuhe Hong, YongHong Tian
Abstract: Contrastive Language-Image Pretraining has demonstrated remarkable zero-shot generalization by aligning visual and textual modalities in a shared embedding space. However, when continuously fine-tuned on diverse tasks, CLIP suffers from catastrophic forgetting and degradation of its embedding alignment, undermining its zero-shot capabilities. In this work, we propose Gradient Null Space Projection (GNSP), an efficient continual learning method that projects task-specific gradients onto the null space of previously learned knowledge. This orthogonal projection mathematically prevents interference with previous tasks without relying on rehearsal or architectural modification. Furthermore, to preserve the inherent generalization property of CLIP, we introduce knowledge distillation and combine it with a modality alignment preservation loss inspired by CLIP pre-training to stabilize the structure of the multimodal embedding space during fine-tuning. On the MTIL benchmark consisting of 11 tasks, our method achieved SOTA performance on both the Average and Last key metrics. More importantly, experiments show that our method successfully maintains the original modality gap and cross-modal retrieval performance of CLIP, confirming its effectiveness in maintaining a robust visual-language space throughout the continual learning process.
Authors: Biswarup Mukherjee, Li Zhou, S. Gokul Krishnan, Milad Kabirifar, Subhash Lakshminarayana, Charalambos Konstantinou
Abstract: This paper introduces a model for coordinating prosumers with heterogeneous distributed energy resources (DERs), participating in the local energy market (LEM) that interacts with the market-clearing entity. The proposed LEM scheme utilizes a data-driven, model-free reinforcement learning approach based on the multi-agent deep deterministic policy gradient (MADDPG) framework, enabling prosumers to make real-time decisions on whether to buy, sell, or refrain from any action while facilitating efficient coordination for optimal energy trading in a dynamic market. In addition, we investigate a price manipulation strategy using a variational auto encoder-generative adversarial network (VAE-GAN) model, which allows utilities to adjust price signals in a way that induces financial losses for the prosumers. Our results show that under adversarial pricing, heterogeneous prosumer groups, particularly those lacking generation capabilities, incur financial losses. The same outcome holds across LEMs of different sizes. As the market size increases, trading stabilizes and fairness improves through emergent cooperation among agents.
Authors: Harish Saragadam, Chetana K Nayak, Joy Bose
Abstract: Resolution of incidents or problem tickets is a common theme in service industries in any sector, including billing and charging systems in telecom domain. Machine learning can help to identify patterns and suggest resolutions for the problem tickets, based on patterns in the historical data of the tickets. However, this process may be complicated due to a variety of phenomena such as data drift and issues such as missing data, lack of data pertaining to resolutions of past incidents, too many similar sounding resolutions due to free text and similar sounding text. This paper proposes a robust ML-driven solution employing clustering, supervised learning, and advanced NLP models to tackle these challenges effectively. Building on previous work, we demonstrate clustering-based resolution identification, supervised classification with LDA, Siamese networks, and One-shot learning, Index embedding. Additionally, we present a real-time dashboard and a highly available Kubernetes-based production deployment. Our experiments with both the open-source Bitext customer-support dataset and proprietary telecom datasets demonstrate high prediction accuracy.
Authors: Guanting Dong, Hangyu Mao, Kai Ma, Licheng Bao, Yifei Chen, Zhongyuan Wang, Zhongxia Chen, Jiazhen Du, Huiyang Wang, Fuzheng Zhang, Guorui Zhou, Yutao Zhu, Ji-Rong Wen, Zhicheng Dou
Abstract: Large-scale reinforcement learning with verifiable rewards (RLVR) has demonstrated its effectiveness in harnessing the potential of large language models (LLMs) for single-turn reasoning tasks. In realistic reasoning scenarios, LLMs can often utilize external tools to assist in task-solving processes. However, current RL algorithms inadequately balance the models' intrinsic long-horizon reasoning capabilities and their proficiency in multi-turn tool interactions. To bridge this gap, we propose Agentic Reinforced Policy Optimization (ARPO), a novel agentic RL algorithm tailored for training multi-turn LLM-based agents. Through preliminary experiments, we observe that LLMs tend to exhibit highly uncertain behavior, characterized by an increase in the entropy distribution of generated tokens, immediately following interactions with external tools. Motivated by this observation, ARPO incorporates an entropy-based adaptive rollout mechanism, dynamically balancing global trajectory sampling and step-level sampling, thereby promoting exploration at steps with high uncertainty after tool usage. By integrating an advantage attribution estimation, ARPO enables LLMs to internalize advantage differences in stepwise tool-use interactions. Our experiments across 13 challenging benchmarks in computational reasoning, knowledge reasoning, and deep search domains demonstrate ARPO's superiority over trajectory-level RL algorithms. Remarkably, ARPO achieves improved performance using only half of the tool-use budget required by existing methods, offering a scalable solution for aligning LLM-based agents with real-time dynamic environments. Our code and datasets are released at https://github.com/dongguanting/ARPO
Authors: Aditya Sharma, Linh Nguyen, Ananya Gupta, Chengyu Wang, Chiamaka Adebayo, Jakub Kowalski
Abstract: Large Language Models (LLMs), despite their advanced linguistic capabilities, fundamentally lack an intuitive understanding of physical dynamics, which limits their effectiveness in real-world scenarios that require causal reasoning. In this paper, we introduce Causal World Model Induction (CWMI), a novel framework designed to embed an explicit model of causal physics within an LLM. Our approach incorporates a dedicated Causal Physics Module (CPM) and a new training objective called Causal Intervention Loss, encouraging the model to learn cause-and-effect relationships from multimodal data. By training the model to predict the outcomes of hypothetical interventions instead of merely capturing statistical correlations, CWMI develops a robust internal representation of physical laws. Experimental results show that CWMI significantly outperforms state-of-the-art LLMs on zero-shot physical reasoning tasks, including the PIQA benchmark and our newly proposed PhysiCa-Bench dataset. These findings demonstrate that inducing a causal world model is a critical step toward more reliable and generalizable AI systems.
Authors: Bj\"orn Kischelewski, Benjamin Guedj, David Wahl
Abstract: Landmine removal is a slow, resource-intensive process affecting over 60 countries. While AI has been proposed to enhance explosive ordnance (EO) detection, existing methods primarily focus on object recognition, with limited attention to prediction of landmine risk based on spatial pattern information. This work aims to answer the following research question: How can AI be used to predict landmine risk from landmine patterns to improve clearance time efficiency? To that effect, we introduce RestoreAI, an AI system for pattern-based risk estimation of remaining explosives. RestoreAI is the first AI system that leverages landmine patterns for risk prediction, improving the accuracy of estimating the residual risk of missing EO prior to land release. We particularly focus on the implementation of three instances of RestoreAI, respectively, linear, curved and Bayesian pattern deminers. First, the linear pattern deminer uses linear landmine patterns from a principal component analysis (PCA) for the landmine risk prediction. Second, the curved pattern deminer uses curved landmine patterns from principal curves. Finally, the Bayesian pattern deminer incorporates prior expert knowledge by using a Bayesian pattern risk prediction. Evaluated on real-world landmine data, RestoreAI significantly boosts clearance efficiency. The top-performing pattern-based deminers achieved a 14.37 percentage point increase in the average share of cleared landmines per timestep and required 24.45% less time than the best baseline deminer to locate all landmines. Interestingly, linear and curved pattern deminers showed no significant performance difference, suggesting that more efficient linear patterns are a viable option for risk prediction.
Authors: Shishir Muralidhara, Didier Stricker, Ren\'e Schuster
Abstract: In the past, continual learning (CL) was mostly concerned with the problem of catastrophic forgetting in neural networks, that arises when incrementally learning a sequence of tasks. Current CL methods function within the confines of limited data access, without any restrictions imposed on computational resources. However, in real-world scenarios, the latter takes precedence as deployed systems are often computationally constrained. A major drawback of most CL methods is the need to retrain the entire model for each new task. The computational demands of retraining large models can be prohibitive, limiting the applicability of CL in environments with limited resources. Through CLoRA, we explore the applicability of Low-Rank Adaptation (LoRA), a parameter-efficient fine-tuning method for class-incremental semantic segmentation. CLoRA leverages a small set of parameters of the model and uses the same set for learning across all tasks. Results demonstrate the efficacy of CLoRA, achieving performance on par with and exceeding the baseline methods. We further evaluate CLoRA using NetScore, underscoring the need to factor in resource efficiency and evaluate CL methods beyond task performance. CLoRA significantly reduces the hardware requirements for training, making it well-suited for CL in resource-constrained environments after deployment.
Authors: Xiaohua Feng, Jiaming Zhang, Fengyuan Yu, Chengye Wang, Li Zhang, Kaixiang Li, Yuyuan Li, Chaochao Chen, Jianwei Yin
Abstract: With the rapid advancement of generative models, associated privacy concerns have attracted growing attention. To address this, researchers have begun adapting machine unlearning techniques from traditional classification models to generative settings. Although notable progress has been made in this area, a unified framework for systematically organizing and integrating existing work is still lacking. The substantial differences among current studies in terms of unlearning objectives and evaluation protocols hinder the objective and fair comparison of various approaches. While some studies focus on specific types of generative models, they often overlook the commonalities and systematic characteristics inherent in Generative Model Unlearning (GenMU). To bridge this gap, we provide a comprehensive review of current research on GenMU and propose a unified analytical framework for categorizing unlearning objectives, methodological strategies, and evaluation metrics. In addition, we explore the connections between GenMU and related techniques, including model editing, reinforcement learning from human feedback, and controllable generation. We further highlight the potential practical value of unlearning techniques in real-world applications. Finally, we identify key challenges and outline future research directions aimed at laying a solid foundation for further advancements in this field. We consistently maintain the related open-source materials at https://github.com/caxLee/Generative-model-unlearning-survey.
URLs: https://github.com/caxLee/Generative-model-unlearning-survey.
Authors: Kunhao Li, Di Wu, Jun Bai, Jing Xu, Lei Yang, Ziyi Zhang, Yiliao Song, Wencheng Yang, Taotao Cai, Yan Li
Abstract: Graph-structured data is prevalent in many real-world applications, including social networks, financial systems, and molecular biology. Graph Neural Networks (GNNs) have become the de facto standard for learning from such data due to their strong representation capabilities. As GNNs are increasingly deployed in federated learning (FL) settings to preserve data locality and privacy, new privacy threats arise from the interaction between graph structures and decentralized training. In this paper, we present the first systematic study of cross-client membership inference attacks (CC-MIA) against node classification tasks of federated GNNs (FedGNNs), where a malicious client aims to infer which client owns the given data. Unlike prior centralized-focused work that focuses on whether a sample was included in training, our attack targets sample-to-client attribution, a finer-grained privacy risk unique to federated settings. We design a general attack framework that exploits FedGNNs' aggregation behaviors, gradient updates, and embedding proximity to link samples to their source clients across training rounds. We evaluate our attack across multiple graph datasets under realistic FL setups. Results show that our method achieves high performance on both membership inference and ownership identification. Our findings highlight a new privacy threat in federated graph learning-client identity leakage through structural and model-level cues, motivating the need for attribution-robust GNN design.
Authors: Yue Hu, Zanxia Cao, Yingchao Liu
Abstract: First-order optimization methods, such as SGD and Adam, are widely used for training large-scale deep neural networks due to their computational efficiency and robust performance. However, relying solely on gradient information, these methods often struggle to navigate complex loss landscapes with flat regions, plateaus, and saddle points. Second-order methods, which use curvature information from the Hessian matrix, can address these challenges but are computationally infeasible for large models. The Dimer method, a first-order technique that constructs two closely spaced points to probe the local geometry of a potential energy surface, efficiently estimates curvature using only gradient information. Inspired by its use in molecular dynamics simulations for locating saddle points, we propose Dimer-Enhanced Optimization (DEO), a novel framework to escape saddle points in neural network training. DEO adapts the Dimer method to explore a broader region of the loss landscape, approximating the Hessian's smallest eigenvector without computing the full matrix. By periodically projecting the gradient onto the subspace orthogonal to the minimum curvature direction, DEO guides the optimizer away from saddle points and flat regions, enhancing training efficiency with non-stepwise updates. Preliminary experiments on a Transformer toy model show DEO achieves competitive performance compared to standard first-order methods, improving navigation of complex loss landscapes. Our work repurposes physics-inspired, first-order curvature estimation to enhance neural network training in high-dimensional spaces.
Authors: Padmavathi Moorthy (SUNY Buffalo)
Abstract: Precise fare prediction is crucial in ride-hailing platforms and urban mobility systems. This study examines three machine learning models-Graph Attention Networks (GAT), XGBoost, and TimesNet to evaluate their predictive capabilities for taxi fares using a real-world dataset comprising over 55 million records. Both raw (noisy) and denoised versions of the dataset are analyzed to assess the impact of data quality on model performance. The study evaluated the models along multiple axes, including predictive accuracy, calibration, uncertainty estimation, out-of-distribution (OOD) robustness, and feature sensitivity. We also explore pre-processing strategies, including KNN imputation, Gaussian noise injection, and autoencoder-based denoising. The study reveals critical differences between classical and deep learning models under realistic conditions, offering practical guidelines for building robust and scalable models in urban fare prediction systems.
Authors: Liu junkang, Yuanyuan Liu, Fanhua Shang, Hongying Liu, Jin Liu, Wei Feng
Abstract: For federated learning (FL) algorithms such as FedSAM, their generalization capability is crucial for real-word applications. In this paper, we revisit the generalization problem in FL and investigate the impact of data heterogeneity on FL generalization. We find that FedSAM usually performs worse than FedAvg in the case of highly heterogeneous data, and thus propose a novel and effective federated learning algorithm with Stochastic Weight Averaging (called \texttt{FedSWA}), which aims to find flatter minima in the setting of highly heterogeneous data. Moreover, we introduce a new momentum-based stochastic controlled weight averaging FL algorithm (\texttt{FedMoSWA}), which is designed to better align local and global models. Theoretically, we provide both convergence analysis and generalization bounds for \texttt{FedSWA} and \texttt{FedMoSWA}. We also prove that the optimization and generalization errors of \texttt{FedMoSWA} are smaller than those of their counterparts, including FedSAM and its variants. Empirically, experimental results on CIFAR10/100 and Tiny ImageNet demonstrate the superiority of the proposed algorithms compared to their counterparts. Open source code at: https://github.com/junkangLiu0/FedSWA.
Authors: Jesus S. Aguilar-Ruiz
Abstract: In traditional k-fold cross-validation, each instance is used ($k-1$) times for training and once for testing, leading to redundancy that lets many instances disproportionately influence the learning phase. We introduce Irredundant $k$-fold cross-validation, a novel method that guarantees each instance is used exactly once for training and once for testing across the entire validation procedure. This approach ensures a more balanced utilization of the dataset, mitigates overfitting due to instance repetition, and enables sharper distinctions in comparative model analysis. The method preserves stratification and remains model-agnostic, i.e., compatible with any classifier. Experimental results demonstrate that it delivers consistent performance estimates across diverse datasets -- comparable to $k$-fold cross-validation -- while providing less optimistic variance estimates because training partitions are non-overlapping, and significantly reducing the overall computational cost.
Authors: Weicong Chen, Vikash Singh, Zahra Rahmani, Debargha Ganguly, Mohsen Hariri, Vipin Chaudhary
Abstract: Existing Log Anomaly Detection (LogAD) methods are often slow, dependent on error-prone parsing, and use unrealistic evaluation protocols. We introduce $K^4$, an unsupervised and parser-independent framework for high-performance online detection. $K^4$ transforms arbitrary log embeddings into compact four-dimensional descriptors (Precision, Recall, Density, Coverage) using efficient k-nearest neighbor (k-NN) statistics. These descriptors enable lightweight detectors to accurately score anomalies without retraining. Using a more realistic online evaluation protocol, $K^4$ sets a new state-of-the-art (AUROC: 0.995-0.999), outperforming baselines by large margins while being orders of magnitude faster, with training under 4 seconds and inference as low as 4 $\mu$s.
Authors: Clare Lyle, Gharda Sokar, Razvan Pascanu, Andras Gyorgy
Abstract: In continual learning problems, it is often necessary to overwrite components of a neural network's learned representation in response to changes in the data stream; however, neural networks often exhibit \primacy bias, whereby early training data hinders the network's ability to generalize on later tasks. While feature-learning dynamics of nonstationary learning problems are not well studied, the emergence of feature-learning dynamics is known to drive the phenomenon of grokking, wherein neural networks initially memorize their training data and only later exhibit perfect generalization. This work conjectures that the same feature-learning dynamics which facilitate generalization in grokking also underlie the ability to overwrite previous learned features as well, and methods which accelerate grokking by facilitating feature-learning dynamics are promising candidates for addressing primacy bias in non-stationary learning problems. We then propose a straightforward method to induce feature-learning dynamics as needed throughout training by increasing the effective learning rate, i.e. the ratio between parameter and update norms. We show that this approach both facilitates feature-learning and improves generalization in a variety of settings, including grokking, warm-starting neural network training, and reinforcement learning tasks.
Authors: Nomaan A. Kherani, Urbashi Mitra
Abstract: In this paper, shifts are introduced to preserve model privacy against an eavesdropper in federated learning. Model learning is treated as a parameter estimation problem. This perspective allows us to derive the Fisher Information matrix of the model updates from the shifted updates and drive them to singularity, thus posing a hard estimation problem for Eve. The shifts are securely shared with the central server to maintain model accuracy at the server and participating devices. A convergence test is proposed to detect if model updates have been tampered with and we show that our scheme passes this test. Numerical results show that our scheme achieves a higher model shift when compared to a noise injection scheme while requiring a lesser bandwidth secret channel.
Authors: Saba Ahmadi, Avrim Blum, Haifeng Xu, Fan Yao
Abstract: User-generated content (UGC) on social media platforms is vulnerable to incitements and manipulations, necessitating effective regulations. To address these challenges, those platforms often deploy automated content moderators tasked with evaluating the harmfulness of UGC and filtering out content that violates established guidelines. However, such moderation inevitably gives rise to strategic responses from users, who strive to express themselves within the confines of guidelines. Such phenomena call for a careful balance between: 1. ensuring freedom of speech -- by minimizing the restriction of expression; and 2. reducing social distortion -- measured by the total amount of content manipulation. We tackle the problem of optimizing this balance through the lens of mechanism design, aiming at optimizing the trade-off between minimizing social distortion and maximizing free speech. Although determining the optimal trade-off is NP-hard, we propose practical methods to approximate the optimal solution. Additionally, we provide generalization guarantees determining the amount of finite offline data required to approximate the optimal moderator effectively.
Authors: Xinyi Li, Zongyi Li, Nikola Kovachki, Anima Anandkumar
Abstract: We propose integrating optimal transport (OT) into operator learning for partial differential equations (PDEs) on complex geometries. Classical geometric learning methods typically represent domains as meshes, graphs, or point clouds. Our approach generalizes discretized meshes to mesh density functions, formulating geometry embedding as an OT problem that maps these functions to a uniform density in a reference space. Compared to previous methods relying on interpolation or shared deformation, our OT-based method employs instance-dependent deformation, offering enhanced flexibility and effectiveness. For 3D simulations focused on surfaces, our OT-based neural operator embeds the surface geometry into a 2D parameterized latent space. By performing computations directly on this 2D representation of the surface manifold, it achieves significant computational efficiency gains compared to volumetric simulation. Experiments with Reynolds-averaged Navier-Stokes equations (RANS) on the ShapeNet-Car and DrivAerNet-Car datasets show that our method achieves better accuracy and also reduces computational expenses in terms of both time and memory usage compared to existing machine learning models. Additionally, our model demonstrates significantly improved accuracy on the FlowBench dataset, underscoring the benefits of employing instance-dependent deformation for datasets with highly variable geometries.
Authors: Aishwarya Mandyam, Jason Meng, Ge Gao, Jiankai Sun, Mac Schwager, Barbara E. Engelhardt, Emma Brunskill
Abstract: Off-policy evaluation (OPE) methods aim to estimate the value of a new reinforcement learning (RL) policy prior to deployment. Recent advances have shown that leveraging auxiliary datasets, such as those synthesized by generative models, can improve the accuracy of these value estimates. Unfortunately, such auxiliary datasets may also be biased, and existing methods for using data augmentation for OPE in RL lack principled uncertainty quantification. In high stakes settings like healthcare, reliable uncertainty estimates are important for comparing policy value estimates. In this work, we propose two approaches to construct valid confidence intervals for OPE when using data augmentation. The first provides a confidence interval over the policy performance conditioned on a particular initial state $V^{\pi}(s_0)$-- such intervals are particularly important for human-centered applications. To do so we introduce a new conformal prediction method for high dimensional state MDPs. Second, we consider the more common task of estimating the average policy performance over many initial states; to do so we draw on ideas from doubly robust estimation and prediction powered inference. Across simulators spanning robotics, healthcare and inventory management, and a real healthcare dataset from MIMIC-IV, we find that our methods can use augmented data and still consistently produce intervals that cover the ground truth values, unlike previously proposed methods.
Authors: Jiaqiang Li, Jianbin Tan, Xueqin Wang
Abstract: Equation discovery is a fundamental learning task for uncovering the underlying dynamics of complex systems, with wide-ranging applications in areas such as brain connectivity analysis, climate modeling, gene regulation, and physical system simulation. However, many existing approaches rely on accurate derivative estimation and are limited to first-order dynamical systems, restricting their applicability to real-world scenarios. In this work, we propose sparse equation matching (SEM), a unified framework that encompasses several existing equation discovery methods under a common formulation. SEM introduces an integral-based sparse regression method using Green's functions, enabling derivative-free estimation of differential operators and their associated driving functions in general-order dynamical systems. The effectiveness of SEM is demonstrated through extensive simulations, benchmarking its performance against derivative-based approaches. We then apply SEM to electroencephalographic (EEG) data recorded during multiple oculomotor tasks, collected from 52 participants in a brain-computer interface experiment. Our method identifies active brain regions across participants and reveals task-specific connectivity patterns. These findings offer valuable insights into brain connectivity and the underlying neural mechanisms.
Authors: Adelaide Danilov, Aria Nourbakhsh, Christoph Schommer
Abstract: Recent pre-trained transformer models achieve superior performance in various code processing objectives. However, although effective at optimizing decision boundaries, common approaches for fine-tuning them for downstream classification tasks - distance-based methods or training an additional classification head - often fail to thoroughly structure the embedding space to reflect nuanced intra-class semantic relationships. Equivalent code mutant detection is one of these tasks, where the quality of the embedding space is crucial to the performance of the models. We introduce a novel framework that integrates cross-entropy loss with a deep metric learning objective, termed Cluster Purge Loss. This objective, unlike conventional approaches, concentrates on adjusting fine-grained differences within each class, encouraging the separation of instances based on semantical equivalency to the class center using dynamically adjusted borders. Employing UniXCoder as the base model, our approach demonstrates state-of-the-art performance in the domain of equivalent mutant detection and produces a more interpretable embedding space.
Authors: Dmitry Pasechnyuk-Vilensky, Daniil Doroshenko
Abstract: We propose a novel framework for learning hidden graph structures from data using geometric analysis and nonlinear dynamics. Our approach: (1) Defines discrete Sobolev spaces on graphs for scalar/vector fields, establishing key functional properties; (2) Introduces gauge-equivalent nonlinear Schr\"odinger and Landau--Lifshitz dynamics with provable stable stationary solutions smoothly dependent on input data and graph weights; (3) Develops a stochastic gradient algorithm over graph moduli spaces with sparsity regularization. Theoretically, we guarantee: topological correctness (homology recovery), metric convergence (Gromov--Hausdorff), and efficient search space utilization. Our dynamics-based model achieves stronger generalization bounds than standard neural networks, with complexity dependent on the data manifold's topology.
Authors: Ziyi Liang, Annie Qu, Babak Shahbaba
Abstract: Developing effective multimodal data fusion strategies has become increasingly essential for improving the predictive power of statistical machine learning methods across a wide range of applications, from autonomous driving to medical diagnosis. Traditional fusion methods, including early, intermediate, and late fusion, integrate data at different stages, each offering distinct advantages and limitations. In this paper, we introduce Meta Fusion, a flexible and principled framework that unifies these existing strategies as special cases. Motivated by deep mutual learning and ensemble learning, Meta Fusion constructs a cohort of models based on various combinations of latent representations across modalities, and further boosts predictive performance through soft information sharing within the cohort. Our approach is model-agnostic in learning the latent representations, allowing it to flexibly adapt to the unique characteristics of each modality. Theoretically, our soft information sharing mechanism reduces the generalization error. Empirically, Meta Fusion consistently outperforms conventional fusion strategies in extensive simulation studies. We further validate our approach on real-world applications, including Alzheimer's disease detection and neural decoding.
Authors: Xin Gao, Xingming Xu
Abstract: The Transformer, with its scaled dot-product attention mechanism, has become a foundational architecture in modern AI. However, this mechanism is computationally intensive and incurs substantial energy costs. We propose a new Transformer architecture EcoTransformer, in which the output context vector is constructed as the convolution of the values using a Laplacian kernel, where the distances are measured by the L1 metric between the queries and keys. Compared to dot-product based attention, the new attention score calculation is free of matrix multiplication. It performs on par with, or even surpasses, scaled dot-product attention in NLP, bioinformatics, and vision tasks, while consuming significantly less energy.
Authors: Tony Shaska Sr
Abstract: We introduce the Graded Transformer framework, a novel class of sequence models that embeds algebraic inductive biases through grading transformations on vector spaces. Extending the theory of Graded Neural Networks (GNNs), we propose two architectures: the Linearly Graded Transformer (LGT) and the Exponentially Graded Transformer (EGT). These models apply parameterized scaling operators-governed by fixed or learnable grading tuples and, for EGT, exponential factors to infuse hierarchical structure into attention and representation layers, enhancing efficiency for structured data. We derive rigorous theoretical guarantees, including universal approximation theorems for continuous and Sobolev functions, reduced sample complexity via effective VC dimension bounds, Lipschitz continuity of graded operations, and robustness to adversarial perturbations. A graded loss function ensures gradient stability and alignment with domain priors during optimization. By treating grades as differentiable parameters, the framework enables adaptive feature prioritization, overcoming limitations of fixed grades in prior work. The Graded Transformer holds transformative potential for hierarchical learning and neurosymbolic reasoning, with applications spanning algebraic geometry (e.g., moduli spaces and zeta functions), physics (e.g., multiscale simulations), natural language processing (e.g., syntactic parsing), biological sequence analysis (e.g., variant prediction), and emerging areas like graph neural networks and financial modeling. This work advances structured deep learning by fusing geometric and algebraic principles with attention mechanisms, offering a mathematically grounded alternative to data-driven models and paving the way for interpretable, efficient systems in complex domains.
Authors: Tianyi Xu, Yiting Chen, Henger Li, Zheyong Bian, Emiliano Dall'Anese, Zizhan Zheng
Abstract: We formalize sequential decision-making with information acquisition as the probing-augmented user-centric selection (PUCS) framework, where a learner first probes a subset of arms to obtain side information on resources and rewards, and then assigns $K$ plays to $M$ arms. PUCS covers applications such as ridesharing, wireless scheduling, and content recommendation, in which both resources and payoffs are initially unknown and probing is costly. For the offline setting with known distributions, we present a greedy probing algorithm with a constant-factor approximation guarantee $\zeta = (e-1)/(2e-1)$. For the online setting with unknown distributions, we introduce OLPA, a stochastic combinatorial bandit algorithm that achieves a regret bound $\mathcal{O}(\sqrt{T} + \ln^{2} T)$. We also prove a lower bound $\Omega(\sqrt{T})$, showing that the upper bound is tight up to logarithmic factors. Experiments on real-world data demonstrate the effectiveness of our solutions.
Authors: Jianping Yao, Son N. Tran, Hieu Nguyen, Samantha Sawyer, Rocco Longo
Abstract: The purpose of this paper is to use absorbance data obtained by human tasting and an ultraviolet-visible (UV-Vis) scanning spectrophotometer to predict the attributes of grape juice (GJ) and to classify the wine's origin, respectively. The approach combined machine learning (ML) techniques with spectroscopy to find a relatively simple way to apply them in two stages of winemaking and help improve the traditional wine analysis methods regarding sensory data and wine's origins. This new technique has overcome the disadvantages of the complex sensors by taking advantage of spectral fingerprinting technology and forming a comprehensive study of the employment of AI in the wine analysis domain. In the results, Support Vector Machine (SVM) was the most efficient and robust in both attributes and origin prediction tasks. Both the accuracy and F1 score of the origin prediction exceed 91%. The feature ranking approach found that the more influential wavelengths usually appear at the lower end of the scan range, 250 nm (nanometers) to 420 nm, which is believed to be of great help for selecting appropriate validation methods and sensors to extract wine data in future research. The knowledge of this research provides new ideas and early solutions for the wine industry or other beverage industries to integrate big data and IoT in the future, which significantly promotes the development of 'Smart Wineries'.
Authors: Xuanting Xie, Bingheng Li, Erlin Pan, Zhao Kang, Wenyu Chen
Abstract: Graph Neural Networks (GNNs) have become a dominant approach to learning graph representations, primarily because of their message-passing mechanisms. However, GNNs typically adopt a fixed aggregator function such as Mean, Max, or Sum without principled reasoning behind the selection. This rigidity, especially in the presence of heterophily, often leads to poor, problem dependent performance. Although some attempts address this by designing more sophisticated aggregation functions, these methods tend to rely heavily on labeled data, which is often scarce in real-world tasks. In this work, we propose a novel unsupervised framework, "Aggregation-aware Multilayer Perceptron" (AMLP), which shifts the paradigm from directly crafting aggregation functions to making MLP adaptive to aggregation. Our lightweight approach consists of two key steps: First, we utilize a graph reconstruction method that facilitates high-order grouping effects, and second, we employ a single-layer network to encode varying degrees of heterophily, thereby improving the capacity and applicability of the model. Extensive experiments on node clustering and classification demonstrate the superior performance of AMLP, highlighting its potential for diverse graph learning scenarios.
Authors: Yi He, Ailun Wang, Zhi Wang, Yu Liu, Xingyuan Xu, Wen Yan
Abstract: Recent advances in generative models, particularly diffusion and auto-regressive models, have revolutionized fields like computer vision and natural language processing. However, their application to structure-based drug design (SBDD) remains limited due to critical data constraints. To address the limitation of training data for models targeting SBDD tasks, we propose an evolutionary framework named MEVO, which bridges the gap between billion-scale small molecule dataset and the scarce protein-ligand complex dataset, and effectively increase the abundance of training data for generative SBDD models. MEVO is composed of three key components: a high-fidelity VQ-VAE for molecule representation in latent space, a diffusion model for pharmacophore-guided molecule generation, and a pocket-aware evolutionary strategy for molecule optimization with physics-based scoring function. This framework efficiently generate high-affinity binders for various protein targets, validated with predicted binding affinities using free energy perturbation (FEP) methods. In addition, we showcase the capability of MEVO in designing potent inhibitors to KRAS$^{\textrm{G12D}}$, a challenging target in cancer therapeutics, with similar affinity to the known highly active inhibitor evaluated by FEP calculations. With high versatility and generalizability, MEVO offers an effective and data-efficient model for various tasks in structure-based ligand design.
Authors: Zeyi Liu, Songqiao Hu, Pengyu Han, Jiaming Liu, Xiao He
Abstract: In recent years, online learning has attracted increasing attention due to its adaptive capability to process streaming and non-stationary data. To facilitate algorithm development and practical deployment in this area, we introduce Awesome-OL, an extensible Python toolkit tailored for online learning research. Awesome-OL integrates state-of-the-art algorithm, which provides a unified framework for reproducible comparisons, curated benchmark datasets, and multi-modal visualization. Built upon the scikit-multiflow open-source infrastructure, Awesome-OL emphasizes user-friendly interactions without compromising research flexibility or extensibility. The source code is publicly available at: https://github.com/liuzy0708/Awesome-OL.
Authors: Jinwook Hong
Abstract: The architecture of a neural network (NN) plays a critical role in determining its performance. However, there is no general closed-form function that maps between network structure and accuracy, making the process of architecture design largely heuristic or search-based. In this study, we propose the Architecture Suggesting Neural Network (ASNN), a model designed to learn the relationship between NN architecture and its test accuracy, and to suggest improved architectures accordingly. To train ASNN, we constructed datasets using TensorFlow-based models with varying numbers of layers and nodes. Experimental results were collected for both 2-layer and 3-layer architectures across a grid of configurations, each evaluated with 10 repeated trials to account for stochasticity. Accuracy values were treated as inputs, and architectural parameters as outputs. The trained ASNN was then used iteratively to predict architectures that yield higher performance. In both 2-layer and 3-layer cases, ASNN successfully suggested architectures that outperformed the best results found in the original training data. Repeated prediction and retraining cycles led to the discovery of architectures with improved mean test accuracies, demonstrating the model's capacity to generalize the performance-structure relationship. These results suggest that ASNN provides an efficient alternative to random search for architecture optimization, and offers a promising approach toward automating neural network design. "Parts of the manuscript, including text editing and expression refinement, were supported by OpenAI's ChatGPT. All content was reviewed and verified by the authors."
Authors: Cheng-Jun Guo, Chuan-Xian Ren, You-Wei Luo, Xiao-Lin Xu, Hong Yan
Abstract: Partial domain adaptation (PDA) is a challenging task in real-world machine learning scenarios. It aims to transfer knowledge from a labeled source domain to a related unlabeled target domain, where the support set of the source label distribution subsumes the target one. Previous PDA works managed to correct the label distribution shift by weighting samples in the source domain. However, the simple reweighing technique cannot explore the latent structure and sufficiently use the labeled data, and then models are prone to over-fitting on the source domain. In this work, we propose a novel importance sampling-based shift correction (IS$^2$C) method, where new labeled data are sampled from a built sampling domain, whose label distribution is supposed to be the same as the target domain, to characterize the latent structure and enhance the generalization ability of the model. We provide theoretical guarantees for IS$^2$C by proving that the generalization error can be sufficiently dominated by IS$^2$C. In particular, by implementing sampling with the mixture distribution, the extent of shift between source and sampling domains can be connected to generalization error, which provides an interpretable way to build IS$^2$C. To improve knowledge transfer, an optimal transport-based independence criterion is proposed for conditional distribution alignment, where the computation of the criterion can be adjusted to reduce the complexity from $\mathcal{O}(n^3)$ to $\mathcal{O}(n^2)$ in realistic PDA scenarios. Extensive experiments on PDA benchmarks validate the theoretical results and demonstrate the effectiveness of our IS$^2$C over existing methods.
Authors: Longfei Lu
Abstract: This work proposes that a vast majority of classical technical indicators in financial analysis are, in essence, special cases of neural networks with fixed and interpretable weights. It is shown that nearly all such indicators, such as moving averages, momentum-based oscillators, volatility bands, and other commonly used technical constructs, can be reconstructed topologically as modular neural network components. Technical Indicator Networks (TINs) are introduced as a general neural architecture that replicates and structurally upgrades traditional indicators by supporting n-dimensional inputs such as price, volume, sentiment, and order book data. By encoding domain-specific knowledge into neural structures, TINs modernize the foundational logic of technical analysis and propel algorithmic trading into a new era, bridging the legacy of proven indicators with the potential of contemporary AI systems.
Authors: Lang Yu, Zhangyang Gao, Cheng Tan, Qin Chen, Jie Zhou, Liang He
Abstract: SE(3)-based generative models have shown great promise in protein geometry modeling and effective structure design. However, the field currently lacks a modularized benchmark to enable comprehensive investigation and fair comparison of different methods. In this paper, we propose Protein-SE(3), a new benchmark based on a unified training framework, which comprises protein scaffolding tasks, integrated generative models, high-level mathematical abstraction, and diverse evaluation metrics. Recent advanced generative models designed for protein scaffolding, from multiple perspectives like DDPM (Genie1 and Genie2), Score Matching (FrameDiff and RfDiffusion) and Flow Matching (FoldFlow and FrameFlow) are integrated into our framework. All integrated methods are fairly investigated with the same training dataset and evaluation metrics. Furthermore, we provide a high-level abstraction of the mathematical foundations behind the generative models, enabling fast prototyping of future algorithms without reliance on explicit protein structures. Accordingly, we release the first comprehensive benchmark built upon unified training framework for SE(3)-based protein structure design, which is publicly accessible at https://github.com/BruthYU/protein-se3.
Authors: Junjie Zhao, Chengxi Zhang, Chenkai Wang, Peng Yang
Abstract: Reinforcement learning (RL) has successfully automated the complex process of mining formulaic alpha factors, for creating interpretable and profitable investment strategies. However, existing methods are hampered by the sparse rewards given the underlying Markov Decision Process. This inefficiency limits the exploration of the vast symbolic search space and destabilizes the training process. To address this, Trajectory-level Reward Shaping (TLRS), a novel reward shaping method, is proposed. TLRS provides dense, intermediate rewards by measuring the subsequence-level similarity between partially generated expressions and a set of expert-designed formulas. Furthermore, a reward centering mechanism is introduced to reduce training variance. Extensive experiments on six major Chinese and U.S. stock indices show that TLRS significantly improves the predictive power of mined factors, boosting the Rank Information Coefficient by 9.29% over existing potential-based shaping algorithms. Notably, TLRS achieves a major leap in computational efficiency by reducing its time complexity with respect to the feature dimension from linear to constant, which is a significant improvement over distance-based baselines.
Authors: Seonghoon Yoo, Houssem Sifaou, Sangwoo Park, Joonhyuk Kang, Osvaldo Simeone
Abstract: Calibration data are necessary to formally quantify the uncertainty of the decisions produced by an existing artificial intelligence (AI) model. To overcome the common issue of scarce calibration data, a promising approach is to employ synthetic labels produced by a (generally different) predictive model. However, fine-tuning the label-generating predictor on the inference task of interest, as well as estimating the residual bias of the synthetic labels, demand additional data, potentially exacerbating the calibration data scarcity problem. This paper introduces a novel approach that efficiently utilizes limited calibration data to simultaneously fine-tune a predictor and estimate the bias of the synthetic labels. The proposed method yields prediction sets with rigorous coverage guarantees for AI-generated decisions. Experimental results on an indoor localization problem validate the effectiveness and performance gains of our solution.
Authors: Dharmesh Tailor, Alvaro H. C. Correia, Eric Nalisnick, Christos Louizos
Abstract: Uncertainty quantification is an important prerequisite for the deployment of deep learning models in safety-critical areas. Yet, this hinges on the uncertainty estimates being useful to the extent the prediction intervals are well-calibrated and sharp. In the absence of inherent uncertainty estimates (e.g. pretrained models predicting only point estimates), popular approaches that operate post-hoc include Laplace's method and split conformal prediction (split-CP). However, Laplace's method can be miscalibrated when the model is misspecified and split-CP requires sample splitting, and thus comes at the expense of statistical efficiency. In this work, we construct prediction intervals for neural network regressors post-hoc without held-out data. This is achieved by approximating the full conformal prediction method (full-CP). Whilst full-CP nominally requires retraining the model for every test point and candidate label, we propose to train just once and locally perturb model parameters using Gauss-Newton influence to approximate the effect of retraining. Coupled with linearization of the network, we express the absolute residual nonconformity score as a piecewise linear function of the candidate label allowing for an efficient procedure that avoids the exhaustive search over the output space. On standard regression benchmarks and bounding box localization, we show the resulting prediction intervals are locally-adaptive and often tighter than those of split-CP.
Authors: Jiaxi Wang, Yaosen Min, Xun Zhu, Miao Li, Ji Wu
Abstract: Polymers, composed of repeating structural units called monomers, are fundamental materials in daily life and industry. Accurate property prediction for polymers is essential for their design, development, and application. However, existing modeling approaches, which typically represent polymers by the constituent monomers, struggle to capture the whole properties of polymer, since the properties change during the polymerization process. In this study, we propose a Multimodal Infinite Polymer Sequence (MIPS) pre-training framework, which represents polymers as infinite sequences of monomers and integrates both topological and spatial information for comprehensive modeling. From the topological perspective, we generalize message passing mechanism (MPM) and graph attention mechanism (GAM) to infinite polymer sequences. For MPM, we demonstrate that applying MPM to infinite polymer sequences is equivalent to applying MPM on the induced star-linking graph of monomers. For GAM, we propose to further replace global graph attention with localized graph attention (LGA). Moreover, we show the robustness of the "star linking" strategy through Repeat and Shift Invariance Test (RSIT). Despite its robustness, "star linking" strategy exhibits limitations when monomer side chains contain ring structures, a common characteristic of polymers, as it fails the Weisfeiler-Lehman~(WL) test. To overcome this issue, we propose backbone embedding to enhance the capability of MPM and LGA on infinite polymer sequences. From the spatial perspective, we extract 3D descriptors of repeating monomers to capture spatial information. Finally, we design a cross-modal fusion mechanism to unify the topological and spatial information. Experimental validation across eight diverse polymer property prediction tasks reveals that MIPS achieves state-of-the-art performance.
Authors: Siyu Song, Wentao Liu, Ye Lu, Ruohua Zhang, Tao Liu, Jinze Lv, Xinyun Wang, Aimin Zhou, Fei Tan, Bo Jiang, Hao Hao
Abstract: The integration of large language models (LLMs) into education presents unprecedented opportunities for scalable personalized learning. However, standard LLMs often function as generic information providers, lacking alignment with fundamental pedagogical principles such as helpfulness, student-centered personalization, and creativity cultivation. To bridge this gap, we propose EduAlign, a novel framework designed to guide LLMs toward becoming more effective and responsible educational assistants. EduAlign consists of two main stages. In the first stage, we curate a dataset of 8k educational interactions and annotate them-both manually and automatically-along three key educational dimensions: Helpfulness, Personalization, and Creativity (HPC). These annotations are used to train HPC-RM, a multi-dimensional reward model capable of accurately scoring LLM outputs according to these educational principles. We further evaluate the consistency and reliability of this reward model. In the second stage, we leverage HPC-RM as a reward signal to fine-tune a pre-trained LLM using Group Relative Policy Optimization (GRPO) on a set of 2k diverse prompts. We then assess the pre- and post-finetuning models on both educational and general-domain benchmarks across the three HPC dimensions. Experimental results demonstrate that the fine-tuned model exhibits significantly improved alignment with pedagogical helpfulness, personalization, and creativity stimulation. This study presents a scalable and effective approach to aligning LLMs with nuanced and desirable educational traits, paving the way for the development of more engaging, pedagogically aligned AI tutors.
Authors: Rezaur Rashid, Gabriel Terejanu
Abstract: Causal discovery from observational data is challenging, especially with large datasets and complex relationships. Traditional methods often struggle with scalability and capturing global structural information. To overcome these limitations, we introduce a novel graph neural network (GNN)-based probabilistic framework that learns a probability distribution over the entire space of causal graphs, unlike methods that output a single deterministic graph. Our framework leverages a GNN that encodes both node and edge attributes into a unified graph representation, enabling the model to learn complex causal structures directly from data. The GNN model is trained on a diverse set of synthetic datasets augmented with statistical and information-theoretic measures, such as mutual information and conditional entropy, capturing both local and global data properties. We frame causal discovery as a supervised learning problem, directly predicting the entire graph structure. Our approach demonstrates superior performance, outperforming both traditional and recent non-GNN-based methods, as well as a GNN-based approach, in terms of accuracy and scalability on synthetic and real-world datasets without further training. This probabilistic framework significantly improves causal structure learning, with broad implications for decision-making and scientific discovery across various fields.
Authors: Ronglong Fang, Yuesheng Xu
Abstract: Multi-grade deep learning (MGDL) has been shown to significantly outperform the standard single-grade deep learning (SGDL) across various applications. This work aims to investigate the computational advantages of MGDL focusing on its performance in image regression, denoising, and deblurring tasks, and comparing it to SGDL. We establish convergence results for the gradient descent (GD) method applied to these models and provide mathematical insights into MGDL's improved performance. In particular, we demonstrate that MGDL is more robust to the choice of learning rate under GD than SGDL. Furthermore, we analyze the eigenvalue distributions of the Jacobian matrices associated with the iterative schemes arising from the GD iterations, offering an explanation for MGDL's enhanced training stability.
Authors: Kohei Miyaguchi, Masao Joko, Rebekah Sheraw, Tsuyoshi Id\'e
Abstract: Identifying upstream processes responsible for wafer defects is challenging due to the combinatorial nature of process flows and the inherent variability in processing routes, which arises from factors such as rework operations and random process waiting times. This paper presents a novel framework for wafer defect root cause analysis, called Partial Trajectory Regression (PTR). The proposed framework is carefully designed to address the limitations of conventional vector-based regression models, particularly in handling variable-length processing routes that span a large number of heterogeneous physical processes. To compute the attribution score of each process given a detected high defect density on a specific wafer, we propose a new algorithm that compares two counterfactual outcomes derived from partial process trajectories. This is enabled by new representation learning methods, proc2vec and route2vec. We demonstrate the effectiveness of the proposed framework using real wafer history data from the NY CREATES fab in Albany.
Authors: Hengyu Liu, Tianyi Li, Yuqiang He, Kristian Torp, Yushuai Li, Christian S. Jensen
Abstract: Location-tracking data from the Automatic Identification System, much of which is publicly available, plays a key role in a range of maritime safety and monitoring applications. However, the data suffers from missing values that hamper downstream applications. Imputing the missing values is challenging because the values of different heterogeneous attributes are updated at diverse rates, resulting in the occurrence of multi-scale dependencies among attributes. Existing imputation methods that assume similar update rates across attributes are unable to capture and exploit such dependencies, limiting their imputation accuracy. We propose MH-GIN, a Multi-scale Heterogeneous Graph-based Imputation Network that aims improve imputation accuracy by capturing multi-scale dependencies. Specifically, MH-GIN first extracts multi-scale temporal features for each attribute while preserving their intrinsic heterogeneous characteristics. Then, it constructs a multi-scale heterogeneous graph to explicitly model dependencies between heterogeneous attributes to enable more accurate imputation of missing values through graph propagation. Experimental results on two real-world datasets find that MH-GIN is capable of an average 57% reduction in imputation errors compared to state-of-the-art methods, while maintaining computational efficiency. The source code and implementation details of MH-GIN are publicly available https://github.com/hyLiu1994/MH-GIN.
Authors: Kohei Miyaguchi, Masao Joko, Rebekah Sheraw, Tsuyoshi Id\'e
Abstract: How can we identify problematic upstream processes when a certain type of wafer defect starts appearing at a quality checkpoint? Given the complexity of modern semiconductor manufacturing, which involves thousands of process steps, cross-process root cause analysis for wafer defects has been considered highly challenging. This paper proposes a novel framework called Trajectory Shapley Attribution (TSA), an extension of Shapley values (SV), a widely used attribution algorithm in explainable artificial intelligence research. TSA overcomes key limitations of standard SV, including its disregard for the sequential nature of manufacturing processes and its reliance on an arbitrarily chosen reference point. We applied TSA to a good-bad wafer diagnosis task in experimental front-end-of-line processes at the NY CREATES Albany NanoTech fab, aiming to identify measurement items (serving as proxies for process parameters) most relevant to abnormal defect occurrence.
Authors: Ahmed Shokry, Ayman Khalafallah
Abstract: Clustering is a core task in machine learning with wide-ranging applications in data mining and pattern recognition. However, its unsupervised nature makes it inherently challenging. Many existing clustering algorithms suffer from critical limitations: they often require careful parameter tuning, exhibit high computational complexity, lack interpretability, or yield suboptimal accuracy, especially when applied to large-scale datasets. In this paper, we introduce a novel clustering approach based on meta-learning. Our approach eliminates the need for parameter optimization while achieving accuracy that outperforms state-of-the-art clustering techniques. The proposed technique leverages a few pre-clustered samples to guide the clustering process for the entire dataset in a single forward pass. Specifically, we employ a pre-trained Prior-Data Fitted Transformer Network (PFN) to perform clustering. The algorithm computes attention between the pre-clustered samples and the unclustered samples, allowing it to infer cluster assignments for the entire dataset based on the learned relation. We theoretically and empirically demonstrate that, given just a few pre-clustered examples, the model can generalize to accurately cluster the rest of the dataset. Experiments on challenging benchmark datasets show that our approach can successfully cluster well-separated data without any pre-clustered samples, and significantly improves performance when a few clustered samples are provided. We show that our approach is superior to the state-of-the-art techniques. These results highlight the effectiveness and scalability of our approach, positioning it as a promising alternative to existing clustering techniques.
Authors: Kiymet Kaya, Elif Ak, Sule Gunduz Oguducu
Abstract: We propose the Wasserstein Black Hole Transformer (WBHT) framework for detecting black hole (BH) anomalies in communication networks. These anomalies cause packet loss without failure notifications, disrupting connectivity and leading to financial losses. WBHT combines generative modeling, sequential learning, and attention mechanisms to improve BH anomaly detection. It integrates a Wasserstein generative adversarial network with attention mechanisms for stable training and accurate anomaly identification. The model uses long-short-term memory layers to capture long-term dependencies and convolutional layers for local temporal patterns. A latent space encoding mechanism helps distinguish abnormal network behavior. Tested on real-world network data, WBHT outperforms existing models, achieving significant improvements in F1 score (ranging from 1.65% to 58.76%). Its efficiency and ability to detect previously undetected anomalies make it a valuable tool for proactive network monitoring and security, especially in mission-critical networks.
Authors: Bonny Y. Wang, Leander Thiele
Abstract: We present a set-based machine learning framework that infers posterior distributions of galaxy cluster masses from projected galaxy dynamics. Our model combines Deep Sets and conditional normalizing flows to incorporate both positional and velocity information of member galaxies to predict residual corrections to the $M$-$\sigma$ relation for improved interpretability. Trained on the Uchuu-UniverseMachine simulation, our approach significantly reduces scatter and provides well-calibrated uncertainties across the full mass range compared to traditional dynamical estimates.
Authors: Tolga Dimlioglu, Anna Choromanska
Abstract: We study centralized distributed data parallel training of deep neural networks (DNNs), aiming to improve the trade-off between communication efficiency and model performance of the local gradient methods. To this end, we revisit the flat-minima hypothesis, which suggests that models with better generalization tend to lie in flatter regions of the loss landscape. We introduce a simple, yet effective, sharpness measure, Inverse Mean Valley, and demonstrate its strong correlation with the generalization gap of DNNs. We incorporate an efficient relaxation of this measure into the distributed training objective as a lightweight regularizer that encourages workers to collaboratively seek wide minima. The regularizer exerts a pushing force that counteracts the consensus step pulling the workers together, giving rise to the Distributed Pull-Push Force (DPPF) algorithm. Empirically, we show that DPPF outperforms other communication-efficient approaches and achieves better generalization performance than local gradient methods and synchronous gradient averaging, while significantly reducing communication overhead. In addition, our loss landscape visualizations confirm the ability of DPPF to locate flatter minima. On the theoretical side, we show that DPPF guides workers to span flat valleys, with the final valley width governed by the interplay between push and pull strengths, and that its pull-push dynamics is self-stabilizing. We further provide generalization guarantees linked to the valley width and prove convergence in the non-convex setting.
Authors: Samiul Based Shuvo, Tasnia Binte Mamun, U Rajendra Acharya
Abstract: DNA-binding proteins (DBPs) are integral to gene regulation and cellular processes, making their accurate identification essential for understanding biological functions and disease mechanisms. Experimental methods for DBP identification are time-consuming and costly, driving the need for efficient computational prediction techniques. In this study, we propose a novel deep learning framework, ResCap-DBP, that combines a residual learning-based encoder with a one-dimensional Capsule Network (1D-CapsNet) to predict DBPs directly from raw protein sequences. Our architecture incorporates dilated convolutions within residual blocks to mitigate vanishing gradient issues and extract rich sequence features, while capsule layers with dynamic routing capture hierarchical and spatial relationships within the learned feature space. We conducted comprehensive ablation studies comparing global and local embeddings from ProteinBERT and conventional one-hot encoding. Results show that ProteinBERT embeddings substantially outperform other representations on large datasets. Although one-hot encoding showed marginal advantages on smaller datasets, such as PDB186, it struggled to scale effectively. Extensive evaluations on four pairs of publicly available benchmark datasets demonstrate that our model consistently outperforms current state-of-the-art methods. It achieved AUC scores of 98.0% and 89.5% on PDB14189andPDB1075, respectively. On independent test sets PDB2272 and PDB186, the model attained top AUCs of 83.2% and 83.3%, while maintaining competitive performance on larger datasets such as PDB20000. Notably, the model maintains a well balanced sensitivity and specificity across datasets. These results demonstrate the efficacy and generalizability of integrating global protein representations with advanced deep learning architectures for reliable and scalable DBP prediction in diverse genomic contexts.
Authors: Alessandro Capurso, Elia Piccoli, Davide Bacciu
Abstract: Transfer Learning (TL) offers the potential to accelerate learning by transferring knowledge across tasks. However, it faces critical challenges such as negative transfer, domain adaptation and inefficiency in selecting solid source policies. These issues often represent critical problems in evolving domains, i.e. game development, where scenarios transform and agents must adapt. The continuous release of new agents is costly and inefficient. In this work we challenge the key issues in TL to improve knowledge transfer, agents performance across tasks and reduce computational costs. The proposed methodology, called FAST - Framework for Adaptive Similarity-based Transfer, leverages visual frames and textual descriptions to create a latent representation of tasks dynamics, that is exploited to estimate similarity between environments. The similarity scores guides our method in choosing candidate policies from which transfer abilities to simplify learning of novel tasks. Experimental results, over multiple racing tracks, demonstrate that FAST achieves competitive final performance compared to learning-from-scratch methods while requiring significantly less training steps. These findings highlight the potential of embedding-driven task similarity estimations.
Authors: Vicente Ramos (Department of Computer Science and Engineering, University of Colorado Denver, Denver, USA), Sundous Hussein (Department of Computer Science and Engineering, University of Colorado Denver, Denver, USA), Mohamed Abdel-Hafiz (Department of Computer Science and Engineering, University of Colorado Denver, Denver, USA), Arunangshu Sarkar (Department of Biostatistics and Informatics, University of Colorado Anschutz Medical Campus, Aurora, USA), Weixuan Liu (Department of Biostatistics and Informatics, University of Colorado Anschutz Medical Campus, Aurora, USA), Katerina J. Kechris (Department of Biostatistics and Informatics, University of Colorado Anschutz Medical Campus, Aurora, USA), Russell P. Bowler (Genomic Medicine Institute, Cleveland Clinic, Cleveland, USA), Leslie Lange (Division of Biomedical Informatics and Personalized Medicine, University of Colorado Anschutz Medical Campus, Aurora, USA), Farnoush Banaei-Kashani (Department of Computer Science and Engineering, University of Colorado Denver, Denver, USA)
Abstract: Multi-omics data offer unprecedented insights into complex biological systems, yet their high dimensionality, sparsity, and intricate interactions pose significant analytical challenges. Network-based approaches have advanced multi-omics research by effectively capturing biologically relevant relationships among molecular entities. While these methods are powerful for representing molecular interactions, there remains a need for tools specifically designed to effectively utilize these network representations across diverse downstream analyses. To fulfill this need, we introduce BioNeuralNet, a flexible and modular Python framework tailored for end-to-end network-based multi-omics data analysis. BioNeuralNet leverages Graph Neural Networks (GNNs) to learn biologically meaningful low-dimensional representations from multi-omics networks, converting these complex molecular networks into versatile embeddings. BioNeuralNet supports all major stages of multi-omics network analysis, including several network construction techniques, generation of low-dimensional representations, and a broad range of downstream analytical tasks. Its extensive utilities, including diverse GNN architectures, and compatibility with established Python packages (e.g., scikit-learn, PyTorch, NetworkX), enhance usability and facilitate quick adoption. BioNeuralNet is an open-source, user-friendly, and extensively documented framework designed to support flexible and reproducible multi-omics network analysis in precision medicine.
Authors: Hongbo Li, Lingjie Duan, Yingbin Liang
Abstract: The transformer architecture, which processes sequences of input tokens to produce outputs for query tokens, has revolutionized numerous areas of machine learning. A defining feature of transformers is their ability to perform previously unseen tasks using task-specific prompts without updating parameters, a phenomenon known as in-context learning (ICL). Recent research has actively explored the training dynamics behind ICL, with much of the focus on relatively simple tasks such as linear regression and binary classification. To advance the theoretical understanding of ICL, this paper investigates more complex nonlinear regression tasks, aiming to uncover how transformers acquire in-context learning capabilities in these settings. We analyze the stage-wise dynamics of attention during training: attention scores between a query token and its target features grow rapidly in the early phase, then gradually converge to one, while attention to irrelevant features decays more slowly and exhibits oscillatory behavior. Our analysis introduces new proof techniques that explicitly characterize how the nature of general non-degenerate L-Lipschitz task functions affects attention weights. Specifically, we identify that the Lipschitz constant L of nonlinear function classes as a key factor governing the convergence dynamics of transformers in ICL. Leveraging these insights, for two distinct regimes depending on whether L is below or above a threshold, we derive different time bounds to guarantee near-zero prediction error. Notably, despite the convergence time depending on the underlying task functions, we prove that query tokens consistently attend to prompt tokens with highly relevant features at convergence, demonstrating the ICL capability of transformers for unseen functions.
Authors: Guanghui Zhu, Xin Fang, Lei Wang, Wenzhong Chen, Rong Gu, Chunfeng Yuan, Yihua Huang
Abstract: Machine learning has been making great success in many application areas. However, for the non-expert practitioners, it is always very challenging to address a machine learning task successfully and efficiently. Finding the optimal machine learning model or the hyperparameter combination set from a large number of possible alternatives usually requires considerable expert knowledge and experience. To tackle this problem, we propose a combined Bayesian Optimization and Adaptive Successive Filtering algorithm (BOASF) under a unified multi-armed bandit framework to automate the model selection or the hyperparameter optimization. Specifically, BOASF consists of multiple evaluation rounds in each of which we select promising configurations for each arm using the Bayesian optimization. Then, ASF can early discard the poor-performed arms adaptively using a Gaussian UCB-based probabilistic model. Furthermore, a Softmax model is employed to adaptively allocate available resources for each promising arm that advances to the next round. The arm with a higher probability of advancing will be allocated more resources. Experimental results show that BOASF is effective for speeding up the model selection and hyperparameter optimization processes while achieving robust and better prediction performance than the existing state-of-the-art automatic machine learning methods. Moreover, BOASF achieves better anytime performance under various time budgets.
Authors: Takanobu Furuhashi, Hidekata Hontani, Tatsuya Yokota
Abstract: Sparse regularization is fundamental in signal processing for efficient signal recovery and feature extraction. However, it faces a fundamental dilemma: the most powerful sparsity-inducing penalties are often non-differentiable, conflicting with gradient-based optimizers that dominate the field. We introduce WEEP (Weakly-convex Envelope of Piecewise Penalty), a novel, fully differentiable sparse regularizer derived from the weakly-convex envelope framework. WEEP provides strong, unbiased sparsity while maintaining full differentiability and L-smoothness, making it natively compatible with any gradient-based optimizer. This resolves the conflict between statistical performance and computational tractability. We demonstrate superior performance compared to the L1-norm and other established non-convex sparse regularizers on challenging signal and image denoising tasks.
Authors: Camilo Tamayo-Rousseau, Yunjia Zhao, Yiqun Zhang, Randall Balestriero
Abstract: Self-attention mechanisms are foundational to Transformer architectures, supporting their impressive success in a wide range of tasks. While there are many self-attention variants, their robustness to noise and spurious correlations has not been well studied. This study evaluates Softmax, Sigmoid, Linear, Doubly Stochastic, and Cosine attention within Vision Transformers under different data corruption scenarios. Through testing across the CIFAR-10, CIFAR-100, and Imagenette datasets, we show that Doubly Stochastic attention is the most robust. Our findings inform self-attention selection in contexts with imperfect data.
Authors: Liu Zhang, Oscar Mickelin, Sheng Xu, Amit Singer
Abstract: Since Pearson [Philosophical Transactions of the Royal Society of London. A, 185 (1894), pp. 71-110] first applied the method of moments (MM) for modeling data as a mixture of one-dimensional Gaussians, moment-based estimation methods have proliferated. Among these methods, the generalized method of moments (GMM) improves the statistical efficiency of MM by weighting the moments appropriately. However, the computational complexity and storage complexity of MM and GMM grow exponentially with the dimension, making these methods impractical for high-dimensional data or when higher-order moments are required. Such computational bottlenecks are more severe in GMM since it additionally requires estimating a large weighting matrix. To overcome these bottlenecks, we propose the diagonally-weighted GMM (DGMM), which achieves a balance among statistical efficiency, computational complexity, and numerical stability. We apply DGMM to study the parameter estimation problem for weakly separated heteroscedastic low-rank Gaussian mixtures and design a computationally efficient and numerically stable algorithm that obtains the DGMM estimator without explicitly computing or storing the moment tensors. We implement the proposed algorithm and empirically validate the advantages of DGMM: in numerical studies, DGMM attains smaller estimation errors while requiring substantially shorter runtime than MM and GMM. The code and data will be available upon publication at https://github.com/liu-lzhang/dgmm.
Authors: Selahattin Akkas, Ariful Azad
Abstract: Graph sparsification is a key technique for improving inference efficiency in Graph Neural Networks by removing edges with minimal impact on predictions. GNN explainability methods generate local importance scores, which can be aggregated into global scores for graph sparsification. However, many explainability methods produce only non-negative scores, limiting their applicability for sparsification. In contrast, Shapley value based methods assign both positive and negative contributions to node predictions, offering a theoretically robust and fair allocation of importance by evaluating many subsets of graphs. Unlike gradient-based or perturbation-based explainers, Shapley values enable better pruning strategies that preserve influential edges while removing misleading or adversarial connections. Our approach shows that Shapley value-based graph sparsification maintains predictive performance while significantly reducing graph complexity, enhancing both interpretability and efficiency in GNN inference.
Authors: Daiko Kishikawa, Yuka Muto, Shunji Kotsuki
Abstract: Incomplete satellite-based precipitation presents a significant challenge in global monitoring. For example, the Global Satellite Mapping of Precipitation (GSMaP) from JAXA suffers from substantial missing regions due to the orbital characteristics of satellites that have microwave sensors, and its current interpolation methods often result in spatial discontinuities. In this study, we formulate the completion of the precipitation map as a video inpainting task and propose a machine learning approach based on conditional diffusion models. Our method employs a 3D U-Net with a 3D condition encoder to reconstruct complete precipitation maps by leveraging spatio-temporal information from infrared images, latitude-longitude grids, and physical time inputs. Training was carried out on ERA5 hourly precipitation data from 2020 to 2023. We generated a pseudo-GSMaP dataset by randomly applying GSMaP masks to ERA maps. Performance was evaluated for the calendar year 2024, and our approach produces more spatio-temporally consistent inpainted precipitation maps compared to conventional methods. These results indicate the potential to improve global precipitation monitoring using the conditional diffusion models.
Authors: Yanheng Hou, Xunkai Li, Zhenjun Li, Bing Zhou, Ronghua Li, Guoren Wang
Abstract: In recent years, Hypergraph Neural Networks (HNNs) have demonstrated immense potential in handling complex systems with high-order interactions. However, acquiring large-scale, high-quality labeled data for these models is costly, making Active Learning (AL) a critical technique. Existing Graph Active Learning (GAL) methods, when applied to hypergraphs, often rely on techniques like "clique expansion," which destroys the high-order structural information crucial to a hypergraph's success, thereby leading to suboptimal performance. To address this challenge, we introduce HIAL (Hypergraph Active Learning), a native active learning framework designed specifically for hypergraphs. We innovatively reformulate the Hypergraph Active Learning (HAL) problem as an Influence Maximization task. The core of HIAL is a dual-perspective influence function that, based on our novel "High-Order Interaction-Aware (HOI-Aware)" propagation mechanism, synergistically evaluates a node's feature-space coverage (via Magnitude of Influence, MoI) and its topological influence (via Expected Diffusion Value, EDV). We prove that this objective function is monotone and submodular, thus enabling the use of an efficient greedy algorithm with a formal (1-1/e) approximation guarantee. Extensive experiments on seven public datasets demonstrate that HIAL significantly outperforms state-of-the-art baselines in terms of performance, efficiency, generality, and robustness, establishing an efficient and powerful new paradigm for active learning on hypergraphs.
Authors: Enjun Du, Siyi Liu, Yongqi Zhang
Abstract: Knowledge Graph (KG) reasoning, which aims to infer new facts from structured knowledge repositories, plays a vital role in Natural Language Processing (NLP) systems. Its effectiveness critically depends on constructing informative and contextually relevant reasoning paths. However, existing graph neural networks (GNNs) often adopt rigid, query-agnostic path-exploration strategies, limiting their ability to adapt to diverse linguistic contexts and semantic nuances. To address these limitations, we propose \textbf{MoKGR}, a mixture-of-experts framework that personalizes path exploration through two complementary components: (1) a mixture of length experts that adaptively selects and weights candidate path lengths according to query complexity, providing query-specific reasoning depth; and (2) a mixture of pruning experts that evaluates candidate paths from a complementary perspective, retaining the most informative paths for each query. Through comprehensive experiments on diverse benchmark, MoKGR demonstrates superior performance in both transductive and inductive settings, validating the effectiveness of personalized path exploration in KGs reasoning.
Authors: Linh Le Pham Van, Minh Hoang Nguyen, Duc Kieu, Hung Le, Hung The Tran, Sunil Gupta
Abstract: Cross-domain offline reinforcement learning (RL) seeks to enhance sample efficiency in offline RL by utilizing additional offline source datasets. A key challenge is to identify and utilize source samples that are most relevant to the target domain. Existing approaches address this challenge by measuring domain gaps through domain classifiers, target transition dynamics modeling, or mutual information estimation using contrastive loss. However, these methods often require large target datasets, which is impractical in many real-world scenarios. In this work, we address cross-domain offline RL under a limited target data setting, identifying two primary challenges: (1) Dataset imbalance, which is caused by large source and small target datasets and leads to overfitting in neural network-based domain gap estimators, resulting in uninformative measurements; and (2) Partial domain overlap, where only a subset of the source data is closely aligned with the target domain. To overcome these issues, we propose DmC, a novel framework for cross-domain offline RL with limited target samples. Specifically, DmC utilizes $k$-nearest neighbor ($k$-NN) based estimation to measure domain proximity without neural network training, effectively mitigating overfitting. Then, by utilizing this domain proximity, we introduce a nearest-neighbor-guided diffusion model to generate additional source samples that are better aligned with the target domain, thus enhancing policy learning with more effective source samples. Through theoretical analysis and extensive experiments in diverse MuJoCo environments, we demonstrate that DmC significantly outperforms state-of-the-art cross-domain offline RL methods, achieving substantial performance gains.
Authors: Cheng-Fu Yang, Thanh Tran, Christos Christodoulopoulos, Weitong Ruan, Rahul Gupta, Kai-Wei Chang
Abstract: A multi-modal guardrail must effectively filter image content based on user-defined policies, identifying material that may be hateful, reinforce harmful stereotypes, contain explicit material, or spread misinformation. Deploying such guardrails in real-world applications, however, poses significant challenges. Users often require varied and highly customizable policies and typically cannot provide abundant examples for each custom policy. Consequently, an ideal guardrail should be scalable to the multiple policies and adaptable to evolving user standards with minimal retraining. Existing fine-tuning methods typically condition predictions on pre-defined policies, restricting their generalizability to new policies or necessitating extensive retraining to adapt. Conversely, training-free methods struggle with limited context lengths, making it difficult to incorporate all the policies comprehensively. To overcome these limitations, we propose to condition model's judgment on "precedents", which are the reasoning processes of prior data points similar to the given input. By leveraging precedents instead of fixed policies, our approach greatly enhances the flexibility and adaptability of the guardrail. In this paper, we introduce a critique-revise mechanism for collecting high-quality precedents and two strategies that utilize precedents for robust prediction. Experimental results demonstrate that our approach outperforms previous methods across both few-shot and full-dataset scenarios and exhibits superior generalization to novel policies.
Authors: Binxiong Li, Yuefei Wang, Binyu Zhao, Heyang Gao, Benhan Yang, Quanzhou Luo, Xue Li, Xu Xiang, Yujie Liu, Huijie Tang
Abstract: This study introduces the Multi-Scale Weight-Based Pairwise Coarsening and Contrastive Learning (MPCCL) model, a novel approach for attributed graph clustering that effectively bridges critical gaps in existing methods, including long-range dependency, feature collapse, and information loss. Traditional methods often struggle to capture high-order graph features due to their reliance on low-order attribute information, while contrastive learning techniques face limitations in feature diversity by overemphasizing local neighborhood structures. Similarly, conventional graph coarsening methods, though reducing graph scale, frequently lose fine-grained structural details. MPCCL addresses these challenges through an innovative multi-scale coarsening strategy, which progressively condenses the graph while prioritizing the merging of key edges based on global node similarity to preserve essential structural information. It further introduces a one-to-many contrastive learning paradigm, integrating node embeddings with augmented graph views and cluster centroids to enhance feature diversity, while mitigating feature masking issues caused by the accumulation of high-frequency node weights during multi-scale coarsening. By incorporating a graph reconstruction loss and KL divergence into its self-supervised learning framework, MPCCL ensures cross-scale consistency of node representations. Experimental evaluations reveal that MPCCL achieves a significant improvement in clustering performance, including a remarkable 15.24% increase in NMI on the ACM dataset and notable robust gains on smaller-scale datasets such as Citeseer, Cora and DBLP.
Authors: Shiva Sinaei, Chuanjun Zheng, Kaan Ak\c{s}it, Daisuke Iwai
Abstract: Ray tracing is a widely used technique for modeling optical systems, involving sequential surface-by-surface computations, which can be computationally intensive. We propose Ray2Ray, a novel method that leverages implicit neural representations to model optical systems with greater efficiency, eliminating the need for surface-by-surface computations in a single pass end-to-end model. Ray2Ray learns the mapping between rays emitted from a given source and their corresponding rays after passing through a given optical system in a physically accurate manner. We train Ray2Ray on nine off-the-shelf optical systems, achieving positional errors on the order of 1{\mu}m and angular deviations on the order 0.01 degrees in the estimated output rays. Our work highlights the potential of neural representations as a proxy for optical raytracer.
Authors: Rajalaxmi Rajagopalan, Yu-Lin Wei, Romit Roy Choudhury
Abstract: Black box optimization (BBO) focuses on optimizing unknown functions in high-dimensional spaces. In many applications, sampling the unknown function is expensive, imposing a tight sample budget. Ongoing work is making progress on reducing the sample budget by learning the shape/structure of the function, known as kernel learning. We propose a new method to learn the kernel of a Gaussian Process. Our idea is to create a continuous kernel space in the latent space of a variational autoencoder, and run an auxiliary optimization to identify the best kernel. Results show that the proposed method, Kernel Optimized Blackbox Optimization (KOBO), outperforms state of the art by estimating the optimal at considerably lower sample budgets. Results hold not only across synthetic benchmark functions but also in real applications. We show that a hearing aid may be personalized with fewer audio queries to the user, or a generative model could converge to desirable images from limited user ratings.
Authors: Kimi Team, Yifan Bai, Yiping Bao, Guanduo Chen, Jiahao Chen, Ningxin Chen, Ruijue Chen, Yanru Chen, Yuankun Chen, Yutian Chen, Zhuofu Chen, Jialei Cui, Hao Ding, Mengnan Dong, Angang Du, Chenzhuang Du, Dikang Du, Yulun Du, Yu Fan, Yichen Feng, Kelin Fu, Bofei Gao, Hongcheng Gao, Peizhong Gao, Tong Gao, Xinran Gu, Longyu Guan, Haiqing Guo, Jianhang Guo, Hao Hu, Xiaoru Hao, Tianhong He, Weiran He, Wenyang He, Chao Hong, Yangyang Hu, Zhenxing Hu, Weixiao Huang, Zhiqi Huang, Zihao Huang, Tao Jiang, Zhejun Jiang, Xinyi Jin, Yongsheng Kang, Guokun Lai, Cheng Li, Fang Li, Haoyang Li, Ming Li, Wentao Li, Yanhao Li, Yiwei Li, Zhaowei Li, Zheming Li, Hongzhan Lin, Xiaohan Lin, Zongyu Lin, Chengyin Liu, Chenyu Liu, Hongzhang Liu, Jingyuan Liu, Junqi Liu, Liang Liu, Shaowei Liu, T. Y. Liu, Tianwei Liu, Weizhou Liu, Yangyang Liu, Yibo Liu, Yiping Liu, Yue Liu, Zhengying Liu, Enzhe Lu, Lijun Lu, Shengling Ma, Xinyu Ma, Yingwei Ma, Shaoguang Mao, Jie Mei, Xin Men, Yibo Miao, Siyuan Pan, Yebo Peng, Ruoyu Qin, Bowen Qu, Zeyu Shang, Lidong Shi, Shengyuan Shi, Feifan Song, Jianlin Su, Zhengyuan Su, Xinjie Sun, Flood Sung, Heyi Tang, Jiawen Tao, Qifeng Teng, Chensi Wang, Dinglu Wang, Feng Wang, Haiming Wang, Jianzhou Wang, Jiaxing Wang, Jinhong Wang, Shengjie Wang, Shuyi Wang, Yao Wang, Yejie Wang, Yiqin Wang, Yuxin Wang, Yuzhi Wang, Zhaoji Wang, Zhengtao Wang, Zhexu Wang, Chu Wei, Qianqian Wei, Wenhao Wu, Xingzhe Wu, Yuxin Wu, Chenjun Xiao, Xiaotong Xie, Weimin Xiong, Boyu Xu, Jing Xu, Jinjing Xu, L. H. Xu, Lin Xu, Suting Xu, Weixin Xu, Xinran Xu, Yangchuan Xu, Ziyao Xu, Junjie Yan, Yuzi Yan, Xiaofei Yang, Ying Yang, Zhen Yang, Zhilin Yang, Zonghan Yang, Haotian Yao, Xingcheng Yao, Wenjie Ye, Zhuorui Ye, Bohong Yin, Longhui Yu, Enming Yuan, Hongbang Yuan, Mengjie Yuan, Haobing Zhan, Dehao Zhang, Hao Zhang, Wanlu Zhang, Xiaobin Zhang, Yangkun Zhang, Yizhi Zhang, Yongting Zhang, Yu Zhang, Yutao Zhang, Yutong Zhang, Zheng Zhang, Haotian Zhao, Yikai Zhao, Huabin Zheng, Shaojie Zheng, Jianren Zhou, Xinyu Zhou, Zaida Zhou, Zhen Zhu, Weiyu Zhuang, Xinxing Zu
Abstract: We introduce Kimi K2, a Mixture-of-Experts (MoE) large language model with 32 billion activated parameters and 1 trillion total parameters. We propose the MuonClip optimizer, which improves upon Muon with a novel QK-clip technique to address training instability while enjoying the advanced token efficiency of Muon. Based on MuonClip, K2 was pre-trained on 15.5 trillion tokens with zero loss spike. During post-training, K2 undergoes a multi-stage post-training process, highlighted by a large-scale agentic data synthesis pipeline and a joint reinforcement learning (RL) stage, where the model improves its capabilities through interactions with real and synthetic environments. Kimi K2 achieves state-of-the-art performance among open-source non-thinking models, with strengths in agentic capabilities. Notably, K2 obtains 66.1 on Tau2-Bench, 76.5 on ACEBench (En), 65.8 on SWE-Bench Verified, and 47.3 on SWE-Bench Multilingual -- surpassing most open and closed-sourced baselines in non-thinking settings. It also exhibits strong capabilities in coding, mathematics, and reasoning tasks, with a score of 53.7 on LiveCodeBench v6, 49.5 on AIME 2025, 75.1 on GPQA-Diamond, and 27.1 on OJBench, all without extended thinking. These results position Kimi K2 as one of the most capable open-source large language models to date, particularly in software engineering and agentic tasks. We release our base and post-trained model checkpoints to facilitate future research and applications of agentic intelligence.
Authors: Dawon Ahn, Jun-Gi Jang, Evangelos E. Papalexakis
Abstract: Group fairness is important to consider in tensor decomposition to prevent discrimination based on social grounds such as gender or age. Although few works have studied group fairness in tensor decomposition, they suffer from performance degradation. To address this, we propose STAFF(Sparse Tensor Augmentation For Fairness) to improve group fairness by minimizing the gap in completion errors of different groups while reducing the overall tensor completion error. Our main idea is to augment a tensor with augmented entities including sufficient observed entries to mitigate imbalance and group bias in the sparse tensor. We evaluate \method on tensor completion with various datasets under conventional and deep learning-based tensor models. STAFF consistently shows the best trade-off between completion error and group fairness; at most, it yields 36% lower MSE and 59% lower MADE than the second-best baseline.
Authors: Shuaipeng Zhang, Lanju Kong, Yixin Zhang, Wei He, Yongqing Zheng, Han Yu, Lizhen Cui
Abstract: Due to the distributed nature of federated learning (FL), the vulnerability of the global model and the need for coordination among many client devices pose significant challenges. As a promising decentralized, scalable and secure solution, blockchain-based FL methods have attracted widespread attention in recent years. However, traditional consensus mechanisms designed for Proof of Work (PoW) similar to blockchain incur substantial resource consumption and compromise the efficiency of FL, particularly when participating devices are wireless and resource-limited. To address asynchronous client participation and data heterogeneity in FL, while limiting the additional resource overhead introduced by blockchain, we propose the Directed Acyclic Graph-based Asynchronous Federated Learning (DAG-AFL) framework. We develop a tip selection algorithm that considers temporal freshness, node reachability and model accuracy, with a DAG-based trusted verification strategy. Extensive experiments on 3 benchmarking datasets against eight state-of-the-art approaches demonstrate that DAG-AFL significantly improves training efficiency and model accuracy by 22.7% and 6.5% on average, respectively.
Authors: Yaxin Xiao, Qingqing Ye, Li Hu, Huadi Zheng, Haibo Hu, Zi Liang, Haoyang Li, Yijie Jiao
Abstract: Machine unlearning enables the removal of specific data from ML models to uphold the right to be forgotten. While approximate unlearning algorithms offer efficient alternatives to full retraining, this work reveals that they fail to adequately protect the privacy of unlearned data. In particular, these algorithms introduce implicit residuals which facilitate privacy attacks targeting at unlearned data. We observe that these residuals persist regardless of model architectures, parameters, and unlearning algorithms, exposing a new attack surface beyond conventional output-based leakage. Based on this insight, we propose the Reminiscence Attack (ReA), which amplifies the correlation between residuals and membership privacy through targeted fine-tuning processes. ReA achieves up to 1.90x and 1.12x higher accuracy than prior attacks when inferring class-wise and sample-wise membership, respectively. To mitigate such residual-induced privacy risk, we develop a dual-phase approximate unlearning framework that first eliminates deep-layer unlearned data traces and then enforces convergence stability to prevent models from "pseudo-convergence", where their outputs are similar to retrained models but still preserve unlearned residuals. Our framework works for both classification and generation tasks. Experimental evaluations confirm that our approach maintains high unlearning efficacy, while reducing the adaptive privacy attack accuracy to nearly random guess, at the computational cost of 2-12% of full retraining from scratch.
Authors: Alexander Barklage, Philipp Bekemeyer
Abstract: Aerodynamic analysis during aircraft design usually involves methods of varying accuracy and spatial resolution, which all have their advantages and disadvantages. It is therefore desirable to create data-driven models which effectively combine these advantages. Such data fusion methods for distributed quantities mainly rely on proper orthogonal decomposition as of now, which is a linear method. In this paper, we introduce a non-linear method based on neural networks combining simulation and measurement data via transfer learning. The network training accounts for the heterogeneity of the data, as simulation data usually features a high spatial resolution, while measurement data is sparse but more accurate. In a first step, the neural network is trained on simulation data to learn spatial features of the distributed quantities. The second step involves transfer learning on the measurement data to correct for systematic errors between simulation and measurement by only re-training a small subset of the entire neural network model. This approach is applied to a multilayer perceptron architecture and shows significant improvements over the established method based on proper orthogonal decomposition by producing more physical solutions near nonlinearities. In addition, the neural network provides solutions at arbitrary flow conditions, thus making the model useful for flight mechanical design, structural sizing, and certification. As the proposed training strategy is very general, it can also be applied to more complex neural network architectures in the future.
Authors: Fei Kong, Xiaohan Shan, Yanwei Hu, Jianmin Li
Abstract: Neural Architecture Search (NAS) is challenged by the trade-off between search space exploration and efficiency, especially for complex tasks. While recent LLM-based NAS methods have shown promise, they often suffer from static search strategies and ambiguous architecture representations. We propose PhaseNAS, an LLM-based NAS framework with dynamic phase transitions guided by real-time score thresholds and a structured architecture template language for consistent code generation. On the NAS-Bench-Macro benchmark, PhaseNAS consistently discovers architectures with higher accuracy and better rank. For image classification (CIFAR-10/100), PhaseNAS reduces search time by up to 86% while maintaining or improving accuracy. In object detection, it automatically produces YOLOv8 variants with higher mAP and lower resource cost. These results demonstrate that PhaseNAS enables efficient, adaptive, and generalizable NAS across diverse vision tasks.
Authors: Julia Siekiera, Christian Schl\"otterer, Stefan Kramer
Abstract: The investigation of allele frequency trajectories in populations evolving under controlled environmental pressures has become a popular approach to study evolutionary processes on the molecular level. Statistical models based on well-defined evolutionary concepts can be used to validate different hypotheses about empirical observations. Despite their popularity, classic statistical models like the Wright-Fisher model suffer from simplified assumptions such as the independence of selected loci along a chromosome and uncertainty about the parameters. Deep generative neural networks offer a powerful alternative known for the integration of multivariate dependencies and noise reduction. Due to their high data demands and challenging interpretability they have, so far, not been widely considered in the area of population genomics. To address the challenges in the area of Evolve and Resequencing experiments (E&R) based on pooled sequencing (Pool-Seq) data, we introduce a deep generative neural network that aims to model a concept of evolution based on empirical observations over time. The proposed model estimates the distribution of allele frequency trajectories by embedding the observations from single nucleotide polymorphisms (SNPs) with information from neighboring loci. Evaluation on simulated E&R experiments demonstrates the model's ability to capture the distribution of allele frequency trajectories and illustrates the representational power of deep generative models on the example of linkage disequilibrium (LD) estimation. Inspecting the internally learned representations enables estimating pairwise LD, which is typically inaccessible in Pool-Seq data. Our model provides competitive LD estimation in Pool-Seq data high degree of LD when compared to existing methods.
Authors: Filip de Roos, Fabio Muratore
Abstract: The Cholesky decomposition is a fundamental tool for solving linear systems with symmetric and positive definite matrices which are ubiquitous in linear algebra, optimization, and machine learning. Its numerical stability can be improved by introducing a pivoting strategy that iteratively permutes the rows and columns of the matrix. The order of pivoting indices determines how accurately the intermediate decomposition can reconstruct the original matrix, thus is decisive for the algorithm's efficiency in the case of early termination. Standard implementations select the next pivot from the largest value on the diagonal. In the case of Bayesian nonparametric inference, this strategy corresponds to greedy entropy maximization, which is often used in active learning and design of experiments. We explore this connection in detail and deduce novel pivoting strategies for the Cholesky decomposition. The resulting algorithms are more efficient at reducing the uncertainty over a data set, can be updated to include information about observations, and additionally benefit from a tailored implementation. We benchmark the effectiveness of the new selection strategies on two tasks important to Gaussian processes: sparse regression and inference based on preconditioned iterative solvers. Our results show that the proposed selection strategies are either on par or, in most cases, outperform traditional baselines while requiring a negligible amount of additional computation.
Authors: Valentin Lafargue, Adriana Laurindo Monteiro, Emmanuelle Claeys, Laurent Risser, Jean-Michel Loubes
Abstract: Proving the compliance of AI algorithms has become an important challenge with the growing deployment of such algorithms for real-life applications. Inspecting possible biased behaviors is mandatory to satisfy the constraints of the regulations of the EU Artificial Intelligence's Act. Regulation-driven audits increasingly rely on global fairness metrics, with Disparate Impact being the most widely used. Yet such global measures depend highly on the distribution of the sample on which the measures are computed. We investigate first how to manipulate data samples to artificially satisfy fairness criteria, creating minimally perturbed datasets that remain statistically indistinguishable from the original distribution while satisfying prescribed fairness constraints. Then we study how to detect such manipulation. Our analysis (i) introduces mathematically sound methods for modifying empirical distributions under fairness constraints using entropic or optimal transport projections, (ii) examines how an auditee could potentially circumvent fairness inspections, and (iii) offers recommendations to help auditors detect such data manipulations. These results are validated through experiments on classical tabular datasets in bias detection.
Authors: Asma Sadia Khan, Fariba Tasnia Khan, Tanjim Mahmud, Salman Karim Khan, Rishita Chakma, Nahed Sharmen, Mohammad Shahadat Hossain, Karl Andersson
Abstract: Prostate cancer, the second most prevalent male malignancy, requires advanced diagnostic tools. We propose an explainable AI system combining BERT (for textual clinical notes) and Random Forest (for numerical lab data) through a novel multimodal fusion strategy, achieving superior classification performance on PLCO-NIH dataset (98% accuracy, 99% AUC). While multimodal fusion is established, our work demonstrates that a simple yet interpretable BERT+RF pipeline delivers clinically significant improvements - particularly for intermediate cancer stages (Class 2/3 recall: 0.900 combined vs 0.824 numerical/0.725 textual). SHAP analysis provides transparent feature importance rankings, while ablation studies prove textual features' complementary value. This accessible approach offers hospitals a balance of high performance (F1=89%), computational efficiency, and clinical interpretability - addressing critical needs in prostate cancer diagnostics.
Authors: Sungjun Lim, Kangjun Noh, Youngjun Choi, Heeyoung Lee, Kyungwoo Song
Abstract: Text embeddings are essential components in modern NLP pipelines. While numerous embedding models have been proposed, their performance varies across domains, and no single model consistently excels across all tasks. This variability motivates the use of ensemble techniques to combine complementary strengths. However, most existing ensemble methods operate on deterministic embeddings and fail to account for model-specific uncertainty, limiting their robustness and reliability in downstream applications. To address these limitations, we propose Uncertainty-driven Embedding Convolution (UEC). UEC first transforms deterministic embeddings into probabilistic ones in a post-hoc manner. It then computes adaptive ensemble weights based on embedding uncertainty, grounded in a Bayes-optimal solution under a surrogate loss. Additionally, UEC introduces an uncertainty-aware similarity function that directly incorporates uncertainty into similarity scoring. Extensive experiments on retrieval, classification, and semantic similarity benchmarks demonstrate that UEC consistently improves both performance and robustness by leveraging principled uncertainty modeling.
Authors: Jakob Snel, Seong Joon Oh
Abstract: Hallucination, the generation of untruthful content, is one of the major concerns regarding foundational models. Detecting hallucinations at the token level is vital for real-time filtering and targeted correction, yet the variation of hallucination signals within token sequences is not fully understood. Leveraging the RAGTruth corpus with token-level annotations and reproduced logits, we analyse how these signals depend on a token's position within hallucinated spans, contributing to an improved understanding of token-level hallucination. Our results show that the first hallucinated token carries a stronger signal and is more detectable than conditional tokens. We release our analysis framework, along with code for logit reproduction and metric computation at https://github.com/jakobsnl/RAGTruth_Xtended.
Authors: Yongzheng Liu, Yiming Wang, Po Xu, Yingjie Xu, Yuntian Chen, Dongxiao Zhang
Abstract: Due to the extensive availability of operation data, data-driven methods show strong capabilities in predicting building energy loads. Buildings with similar features often share energy patterns, reflected by spatial dependencies in their operational data, which conventional prediction methods struggle to capture. To overcome this, we propose a multi-building prediction approach using spatio-temporal graph neural networks, comprising graph representation, graph learning, and interpretation. First, a graph is built based on building characteristics and environmental factors. Next, a multi-level graph convolutional architecture with attention is developed for energy prediction. Lastly, a method interpreting the optimized graph structure is introduced. Experiments on the Building Data Genome Project 2 dataset confirm superior performance over baselines such as XGBoost, SVR, FCNN, GRU, and Naive, highlighting the method's robustness, generalization, and interpretability in capturing meaningful building similarities and spatial relationships.
Authors: Udo Schlegel, Gabriel Marques Tavares, Thomas Seidl
Abstract: Deep clustering uncovers hidden patterns and groups in complex time series data, yet its opaque decision-making limits use in safety-critical settings. This survey offers a structured overview of explainable deep clustering for time series, collecting current methods and their real-world applications. We thoroughly discuss and compare peer-reviewed and preprint papers through application domains across healthcare, finance, IoT, and climate science. Our analysis reveals that most work relies on autoencoder and attention architectures, with limited support for streaming, irregularly sampled, or privacy-preserved series, and interpretability is still primarily treated as an add-on. To push the field forward, we outline six research opportunities: (1) combining complex networks with built-in interpretability; (2) setting up clear, faithfulness-focused evaluation metrics for unsupervised explanations; (3) building explainers that adapt to live data streams; (4) crafting explanations tailored to specific domains; (5) adding human-in-the-loop methods that refine clusters and explanations together; and (6) improving our understanding of how time series clustering models work internally. By making interpretability a primary design goal rather than an afterthought, we propose the groundwork for the next generation of trustworthy deep clustering time series analytics.
Authors: Saket Tiwari, Omer Gottesman, George Konidaris
Abstract: Advances in reinforcement learning (RL) have led to its successful application in complex tasks with continuous state and action spaces. Despite these advances in practice, most theoretical work pertains to finite state and action spaces. We propose building a theoretical understanding of continuous state and action spaces by employing a geometric lens to understand the locally attained set of states. The set of all parametrised policies learnt through a semi-gradient based approach induces a set of attainable states in RL. We show that the training dynamics of a two-layer neural policy induce a low dimensional manifold of attainable states embedded in the high-dimensional nominal state space trained using an actor-critic algorithm. We prove that, under certain conditions, the dimensionality of this manifold is of the order of the dimensionality of the action space. This is the first result of its kind, linking the geometry of the state space to the dimensionality of the action space. We empirically corroborate this upper bound for four MuJoCo environments and also demonstrate the results in a toy environment with varying dimensionality. We also show the applicability of this theoretical result by introducing a local manifold learning layer to the policy and value function networks to improve the performance in control environments with very high degrees of freedom by changing one layer of the neural network to learn sparse representations.
Authors: Shomoita Jahid Mitin (Biomedical and Translational Sciences, University of South Dakota, Vermillion, SD, USA and, Artificial Intelligence Research lab, Department of Computer Science, University of South Dakota, Vermillion, SD and), Rodrigue Rizk (Artificial Intelligence Research lab, Department of Computer Science, University of South Dakota, Vermillion, SD and), Maximilian Scherer (Department of Neurology, Ludwig Maximilian University, Munich, Germany and), Thomas Koeglsperger (Department of Neurology, Ludwig Maximilian University, Munich, Germany and), Daniel Lench (Department of Neurology, Medical University of South Carolina, Charleston, SC, USA and), KC Santosh (Artificial Intelligence Research lab, Department of Computer Science, University of South Dakota, Vermillion, SD and), Arun Singh (Biomedical and Translational Sciences, University of South Dakota, Vermillion, SD, USA and, Department of Neuroscience, Sanford School of Medicine, University of South Dakota, Sioux Falls, SD, USA)
Abstract: Parkinson Disease (PD) often results in motor and cognitive impairments, including gait dysfunction, particularly in patients with freezing of gait (FOG). Current detection methods are either subjective or reliant on specialized gait analysis tools. This study aims to develop an objective, data-driven, and multi-modal classification model to detect gait dysfunction in PD patients using resting-state EEG signals combined with demographic and clinical variables. We utilized a dataset of 124 participants: 42 PD patients with FOG (PDFOG+), 41 without FOG (PDFOG-), and 41 age-matched healthy controls. Features extracted from resting-state EEG and descriptive variables (age, education, disease duration) were used to train a novel Bi-cephalic Self-Attention Model (BiSAM). We tested three modalities: signal-only, descriptive-only, and multi-modal, across different EEG channel subsets (BiSAM-63, -16, -8, and -4). Signal-only and descriptive-only models showed limited performance, achieving a maximum accuracy of 55% and 68%, respectively. In contrast, the multi-modal models significantly outperformed both, with BiSAM-8 and BiSAM-4 achieving the highest classification accuracy of 88%. These results demonstrate the value of integrating EEG with objective descriptive features for robust PDFOG+ detection. This study introduces a multi-modal, attention-based architecture that objectively classifies PDFOG+ using minimal EEG channels and descriptive variables. This approach offers a scalable and efficient alternative to traditional assessments, with potential applications in routine clinical monitoring and early diagnosis of PD-related gait dysfunction.
Authors: Lara Neves, Afonso Louren\c{c}o, Alberto Cano, Goreti Marreiros
Abstract: Mining data streams with multi-label outputs poses significant challenges due to evolving distributions, high-dimensional label spaces, sparse label occurrences, and complex label dependencies. Moreover, concept drift affects not only input distributions but also label correlations and imbalance ratios over time, complicating model adaptation. To address these challenges, structured learners are categorized into local and global methods. Local methods break down the task into simpler components, while global methods adapt the algorithm to the full output space, potentially yielding better predictions by exploiting label correlations. This work introduces iHOMER (Incremental Hierarchy Of Multi-label Classifiers), an online multi-label learning framework that incrementally partitions the label space into disjoint, correlated clusters without relying on predefined hierarchies. iHOMER leverages online divisive-agglomerative clustering based on \textit{Jaccard} similarity and a global tree-based learner driven by a multivariate \textit{Bernoulli} process to guide instance partitioning. To address non-stationarity, it integrates drift detection mechanisms at both global and local levels, enabling dynamic restructuring of label partitions and subtrees. Experiments across 23 real-world datasets show iHOMER outperforms 5 state-of-the-art global baselines, such as MLHAT, MLHT of Pruned Sets and iSOUPT, by 23\%, and 12 local baselines, such as binary relevance transformations of kNN, EFDT, ARF, and ADWIN bagging/boosting ensembles, by 32\%, establishing its robustness for online multi-label classification.
Authors: Aman Shukla, Daniel Patrick Scantlebury, Rishabh Kumar
Abstract: Modeling user behavior is critical across many industries where understanding preferences, intent, or decisions informs personalization, targeting, and strategic outcomes. Surveys have long served as a classical mechanism for collecting such behavioral data due to their interpretability, structure, and ease of deployment. However, surveys alone are inherently limited by user fatigue, incomplete responses, and practical constraints on their length making them insufficient for capturing user behavior. In this work, we present LANTERN (Late-Attentive Network for Enriched Response Modeling), a modular architecture for modeling user behavior by fusing adaptive survey responses with supplemental contextual signals. We demonstrate the architectural value of maintaining survey primacy through selective gating, residual connections and late fusion via cross-attention, treating survey data as the primary signal while incorporating external modalities only when relevant. LANTERN outperforms strong survey-only baselines in multi-label prediction of survey responses. We further investigate threshold sensitivity and the benefits of selective modality reliance through ablation and rare/frequent attribute analysis. LANTERN's modularity supports scalable integration of new encoders and evolving datasets. This work provides a practical and extensible blueprint for behavior modeling in survey-centric applications.
Authors: Hongzhi Zhang, Zhonglie Liu, Kun Meng, Jiameng Chen, Jia Wu, Bo Du, Di Lin, Yan Che, Wenbin Hu
Abstract: Given the vastness of chemical space and the ongoing emergence of previously uncharacterized proteins, zero-shot compound-protein interaction (CPI) prediction better reflects the practical challenges and requirements of real-world drug development. Although existing methods perform adequately during certain CPI tasks, they still face the following challenges: (1) Representation learning from local or complete protein sequences often overlooks the complex interdependencies between subsequences, which are essential for predicting spatial structures and binding properties. (2) Dependence on large-scale or scarce multimodal protein datasets demands significant training data and computational resources, limiting scalability and efficiency. To address these challenges, we propose a novel approach that pretrains protein representations for CPI prediction tasks using subsequence reordering, explicitly capturing the dependencies between protein subsequences. Furthermore, we apply length-variable protein augmentation to ensure excellent pretraining performance on small training datasets. To evaluate the model's effectiveness and zero-shot learning ability, we combine it with various baseline methods. The results demonstrate that our approach can improve the baseline model's performance on the CPI task, especially in the challenging zero-shot scenario. Compared to existing pre-training models, our model demonstrates superior performance, particularly in data-scarce scenarios where training samples are limited. Our implementation is available at https://github.com/Hoch-Zhang/PSRP-CPI.
Authors: Wei Shan Lee, Chi Kiu Althina Chau, Kei Chon Sio, Kam Ian Leong
Abstract: Physics-informed neural networks (PINNs) have plateaued at errors of $10^{-3}$-$10^{-4}$ for fourth-order partial differential equations, creating a perceived precision ceiling that limits their adoption in engineering applications. We break through this barrier with a hybrid Fourier-neural architecture for the Euler-Bernoulli beam equation, achieving unprecedented L2 error of $1.94 \times 10^{-7}$-a 17-fold improvement over standard PINNs and \(15-500\times\) better than traditional numerical methods. Our approach synergistically combines a truncated Fourier series capturing dominant modal behavior with a deep neural network providing adaptive residual corrections. A systematic harmonic optimization study revealed a counter-intuitive discovery: exactly 10 harmonics yield optimal performance, with accuracy catastrophically degrading from $10^{-7}$ to $10^{-1}$ beyond this threshold. The two-phase optimization strategy (Adam followed by L-BFGS) and adaptive weight balancing enable stable ultra-precision convergence. GPU-accelerated implementation achieves sub-30-minute training despite fourth-order derivative complexity. By addressing 12 critical gaps in existing approaches-from architectural rigidity to optimization landscapes-this work demonstrates that ultra-precision is achievable through proper design, opening new paradigms for scientific computing where machine learning can match or exceed traditional numerical methods.
Authors: Ansh Poonia, Maeghal Jain
Abstract: Large language models (LLMs) exhibit remarkable versatility in adopting diverse personas. In this study, we examine how assigning a persona influences a model's reasoning on an objective task. Using activation patching, we take a first step toward understanding how key components of the model encode persona-specific information. Our findings reveal that the early Multi-Layer Perceptron (MLP) layers attend not only to the syntactic structure of the input but also process its semantic content. These layers transform persona tokens into richer representations, which are then used by the middle Multi-Head Attention (MHA) layers to shape the model's output. Additionally, we identify specific attention heads that disproportionately attend to racial and color-based identities.
Authors: David Ye, Jan Williams, Mars Gao, Stefano Riva, Matteo Tomasetto, David Zoro, J. Nathan Kutz
Abstract: SHallow REcurrent Decoders (SHRED) provide a deep learning strategy for modeling high-dimensional dynamical systems and/or spatiotemporal data from dynamical system snapshot observations. PySHRED is a Python package that implements SHRED and several of its major extensions, including for robust sensing, reduced order modeling and physics discovery. In this paper, we introduce the version 1.0 release of PySHRED, which includes data preprocessors and a number of cutting-edge SHRED methods specifically designed to handle real-world data that may be noisy, multi-scale, parameterized, prohibitively high-dimensional, and strongly nonlinear. The package is easy to install, thoroughly-documented, supplemented with extensive code examples, and modularly-structured to support future additions. The entire codebase is released under the MIT license and is available at https://github.com/pyshred-dev/pyshred.
Authors: Tianhao Wang, Simon Klancher, Kunal Mukherjee, Josh Wiedemeier, Feng Chen, Murat Kantarcioglu, Kangkook Jee
Abstract: The rise of graph-structured data has driven interest in graph learning and synthetic data generation. While successful in text and image domains, synthetic graph generation remains challenging -- especially for real-world graphs with complex, heterogeneous schemas. Existing research has focused mostly on homogeneous structures with simple attributes, limiting their usefulness and relevance for application domains requiring semantic fidelity. In this research, we introduce ProvCreator, a synthetic graph framework designed for complex heterogeneous graphs with high-dimensional node and edge attributes. ProvCreator formulates graph synthesis as a sequence generation task, enabling the use of transformer-based large language models. It features a versatile graph-to-sequence encoder-decoder that 1. losslessly encodes graph structure and attributes, 2. efficiently compresses large graphs for contextual modeling, and 3. supports end-to-end, learnable graph generation. To validate our research, we evaluate ProvCreator on two challenging domains: system provenance graphs in cybersecurity and knowledge graphs from IntelliGraph Benchmark Dataset. In both cases, ProvCreator captures intricate dependencies between structure and semantics, enabling the generation of realistic and privacy-aware synthetic datasets.
Authors: Rongyao Cai, Ming Jin, Qingsong Wen, Kexin Zhang
Abstract: Domain shift poses a fundamental challenge in time series analysis, where models trained on source domain often fail dramatically when applied in target domain with different yet similar distributions. While current unsupervised domain adaptation (UDA) methods attempt to align cross-domain feature distributions, they typically treat features as indivisible entities, ignoring their intrinsic compositions that governs domain adaptation. We introduce DARSD, a novel UDA framework with theoretical explainability that explicitly realizes UDA tasks from the perspective of representation space decomposition. Our core insight is that effective domain adaptation requires not just alignment, but principled disentanglement of transferable knowledge from mixed representations. DARSD consists three synergistic components: (I) An adversarial learnable common invariant basis that projects original features into a domain-invariant subspace while preserving semantic content; (II) A prototypical pseudo-labeling mechanism that dynamically separates target features based on confidence, hindering error accumulation; (III) A hybrid contrastive optimization strategy that simultaneously enforces feature clustering and consistency while mitigating emerging distribution gaps. Comprehensive experiments conducted on four benchmark datasets (WISDM, HAR, HHAR, and MFD) demonstrate DARSD's superiority against 12 UDA algorithms, achieving optimal performance in 35 out of 53 cross-domain scenarios.
Authors: Chao Wu, Zhenyi Wang, Kangxian Xie, Naresh Kumar Devulapally, Vishnu Suresh Lokhande, Mingchen Gao
Abstract: Text-to-image (T2I) diffusion models often exhibit gender bias, particularly by generating stereotypical associations between professions and gendered subjects. This paper presents SAE Debias, a lightweight and model-agnostic framework for mitigating such bias in T2I generation. Unlike prior approaches that rely on CLIP-based filtering or prompt engineering, which often require model-specific adjustments and offer limited control, SAE Debias operates directly within the feature space without retraining or architectural modifications. By leveraging a k-sparse autoencoder pre-trained on a gender bias dataset, the method identifies gender-relevant directions within the sparse latent space, capturing professional stereotypes. Specifically, a biased direction per profession is constructed from sparse latents and suppressed during inference to steer generations toward more gender-balanced outputs. Trained only once, the sparse autoencoder provides a reusable debiasing direction, offering effective control and interpretable insight into biased subspaces. Extensive evaluations across multiple T2I models, including Stable Diffusion 1.4, 1.5, 2.1, and SDXL, demonstrate that SAE Debias substantially reduces gender bias while preserving generation quality. To the best of our knowledge, this is the first work to apply sparse autoencoders for identifying and intervening in gender bias within T2I models. These findings contribute toward building socially responsible generative AI, providing an interpretable and model-agnostic tool to support fairness in text-to-image generation.
Authors: Yixin Song, Zhenliang Xue, Dongliang Wei, Feiyang Chen, Jianxiang Gao, Junchen Liu, Hangyu Liang, Guangshuo Qin, Chengrong Tian, Bo Wen, Longyu Zhao, Xinrui Zheng, Zeyu Mi, Haibo Chen
Abstract: While frontier large language models (LLMs) continue to push capability boundaries, their deployment remains confined to GPU-powered cloud infrastructure. We challenge this paradigm with SmallThinker, a family of LLMs natively designed - not adapted - for the unique constraints of local devices: weak computational power, limited memory, and slow storage. Unlike traditional approaches that mainly compress existing models built for clouds, we architect SmallThinker from the ground up to thrive within these limitations. Our innovation lies in a deployment-aware architecture that transforms constraints into design principles. First, We introduce a two-level sparse structure combining fine-grained Mixture-of-Experts (MoE) with sparse feed-forward networks, drastically reducing computational demands without sacrificing model capacity. Second, to conquer the I/O bottleneck of slow storage, we design a pre-attention router that enables our co-designed inference engine to prefetch expert parameters from storage while computing attention, effectively hiding storage latency that would otherwise cripple on-device inference. Third, for memory efficiency, we utilize NoPE-RoPE hybrid sparse attention mechanism to slash KV cache requirements. We release SmallThinker-4B-A0.6B and SmallThinker-21B-A3B, which achieve state-of-the-art performance scores and even outperform larger LLMs. Remarkably, our co-designed system mostly eliminates the need for expensive GPU hardware: with Q4_0 quantization, both models exceed 20 tokens/s on ordinary consumer CPUs, while consuming only 1GB and 8GB of memory respectively. SmallThinker is publicly available at hf.co/PowerInfer/SmallThinker-4BA0.6B-Instruct and hf.co/PowerInfer/SmallThinker-21BA3B-Instruct.
Authors: Henri Arno, Thomas Demeester
Abstract: Existing methods for estimating personalized treatment effects typically rely on structured covariates, limiting their applicability to unstructured data. Yet, leveraging unstructured data for causal inference has considerable application potential, for instance in healthcare, where clinical notes or medical images are abundant. To this end, we first introduce an approximate 'plug-in' method trained directly on the neural representations of unstructured data. However, when these fail to capture all confounding information, the method may be subject to confounding bias. We therefore introduce two theoretically grounded estimators that leverage structured measurements of the confounders during training, but allow estimating personalized treatment effects purely from unstructured inputs, while avoiding confounding bias. When these structured measurements are only available for a non-representative subset of the data, these estimators may suffer from sampling bias. To address this, we further introduce a regression-based correction that accounts for the non-uniform sampling, assuming the sampling mechanism is known or can be well-estimated. Our experiments on two benchmark datasets show that the plug-in method, directly trainable on large unstructured datasets, achieves strong empirical performance across all settings, despite its simplicity.
Authors: Haris Khan, Shumaila Asif, Sadia Asif
Abstract: In real-world machine learning deployments, models must be continually updated, composed, and when required, selectively undone. However, existing approaches to model merging and continual learning often suffer from task interference, catastrophic forgetting, or lack of reversibility. We propose Modular Delta Merging with Orthogonal Constraints (MDM-OC), a novel framework that enables scalable, interference-free, and reversible composition of fine-tuned models. Each task-specific model is encoded as a delta from a shared base and projected into an orthogonal subspace to eliminate conflict. These projected deltas are then merged via gradient-based optimization to form a unified model that retains performance across tasks. Our approach supports continual integration of new models, structured unmerging for compliance such as GDPR requirements, and model stability via elastic weight consolidation and synthetic replay. Extensive experiments on vision and natural language processing benchmarks demonstrate that MDM-OC outperforms prior baselines in accuracy, backward transfer, and unmerge fidelity, while remaining memory-efficient and computationally tractable. This framework offers a principled solution for modular and compliant AI system design.
Authors: Yining Huang, Bin Li, Keke Tang, Meilian Chen
Abstract: Large-scale generative models like DeepSeek-R1 and OpenAI-O1 benefit substantially from chain-of-thought (CoT) reasoning, yet pushing their performance typically requires vast data, large model sizes, and full-parameter fine-tuning. While parameter-efficient fine-tuning (PEFT) helps reduce cost, most existing approaches primarily address domain adaptation or layer-wise allocation rather than explicitly tailoring data and parameters to different response demands. Inspired by "Thinking, Fast and Slow," which characterizes two distinct modes of thought-System 1 (fast, intuitive, often automatic) and System 2 (slower, more deliberative and analytic)-we draw an analogy that different "subregions" of an LLM's parameters might similarly specialize for tasks that demand quick, intuitive responses versus those requiring multi-step logical reasoning. Therefore, we propose LoRA-PAR, a dual-system LoRA framework that partitions both data and parameters by System 1 or System 2 demands, using fewer yet more focused parameters for each task. Specifically, we classify task data via multi-model role-playing and voting, and partition parameters based on importance scoring, then adopt a two-stage fine-tuning strategy of training System 1 tasks with supervised fine-tuning (SFT) to enhance knowledge and intuition and refine System 2 tasks with reinforcement learning (RL) to reinforce deeper logical deliberation next. Extensive experiments show that the two-stage fine-tuning strategy, SFT and RL, lowers active parameter usage while matching or surpassing SOTA PEFT baselines.
Authors: Fang Li
Abstract: Deep Neural Networks (DNNs) deliver impressive performance but their black-box nature limits deployment in high-stakes domains requiring transparency. We introduce Compositional Function Networks (CFNs), a novel framework that builds inherently interpretable models by composing elementary mathematical functions with clear semantics. Unlike existing interpretable approaches that are limited to simple additive structures, CFNs support diverse compositional patterns -- sequential, parallel, and conditional -- enabling complex feature interactions while maintaining transparency. A key innovation is that CFNs are fully differentiable, allowing efficient training through standard gradient descent. We demonstrate CFNs' versatility across multiple domains, from symbolic regression to image classification with deep hierarchical networks. Our empirical evaluation shows CFNs achieve competitive performance against black-box models (96.24% accuracy on CIFAR-10) while outperforming state-of-the-art interpretable models like Explainable Boosting Machines. By combining the hierarchical expressiveness and efficient training of deep learning with the intrinsic interpretability of well-defined mathematical functions, CFNs offer a powerful framework for applications where both performance and accountability are paramount.
Authors: Jagruti Patel (Department of Radiology, Lausanne University Hospital and University of Lausanne), Mikkel Sch\"ottner (Department of Radiology, Lausanne University Hospital and University of Lausanne), Thomas A. W. Bolton (Department of Radiology, Lausanne University Hospital and University of Lausanne), Patric Hagmann (Department of Radiology, Lausanne University Hospital and University of Lausanne)
Abstract: Predicting cognition from neuroimaging data in healthy individuals offers insights into the neural mechanisms underlying cognitive abilities, with potential applications in precision medicine and early detection of neurological and psychiatric conditions. This study systematically benchmarked classical machine learning (Kernel Ridge Regression (KRR)) and advanced deep learning (DL) models (Graph Neural Networks (GNN) and Transformer-GNN (TGNN)) for cognitive prediction using Resting-state (RS), Working Memory, and Language task fMRI data from the Human Connectome Project Young Adult dataset. Our results, based on R2 scores, Pearson correlation coefficient, and mean absolute error, revealed that task-based fMRI, eliciting neural responses directly tied to cognition, outperformed RS fMRI in predicting cognitive behavior. Among the methods compared, a GNN combining structural connectivity (SC) and functional connectivity (FC) consistently achieved the highest performance across all fMRI modalities; however, its advantage over KRR using FC alone was not statistically significant. The TGNN, designed to model temporal dynamics with SC as a prior, performed competitively with FC-based approaches for task-fMRI but struggled with RS data, where its performance aligned with the lower-performing GNN that directly used fMRI time-series data as node features. These findings emphasize the importance of selecting appropriate model architectures and feature representations to fully leverage the spatial and temporal richness of neuroimaging data. This study highlights the potential of multimodal graph-aware DL models to combine SC and FC for cognitive prediction, as well as the promise of Transformer-based approaches for capturing temporal dynamics. By providing a comprehensive comparison of models, this work serves as a guide for advancing brain-behavior modeling using fMRI, SC and DL.
Authors: Zhen Zhang (The Bradley Department of Electrical and Computer Engineering, Virginia Tech, Blacksburg, Virginia, USA), Dong Sam Ha (The Bradley Department of Electrical and Computer Engineering, Virginia Tech, Blacksburg, Virginia, USA), Gota Morota (Department of Animal and Poultry Sciences, Virginia Tech, Blacksburg, Virginia, USA, Laboratory of Biometry and Bioinformatics, Department of Agricultural Environmental Biology, Graduate School of Agricultural and Life Sciences, The University of Tokyo, Tokyo, Japan), Sook Shin (The Bradley Department of Electrical and Computer Engineering, Virginia Tech, Blacksburg, Virginia, USA)
Abstract: This study proposes a behavior-specific filtering method to improve behavior classification accuracy in Precision Livestock Farming. While traditional filtering methods, such as wavelet denoising, achieved an accuracy of 91.58%, they apply uniform processing to all behaviors. In contrast, the proposed behavior-specific filtering method combines Wavelet Denoising with a Low Pass Filter, tailored to active and inactive pig behaviors, and achieved a peak accuracy of 94.73%. These results highlight the effectiveness of behavior-specific filtering in enhancing animal behavior monitoring, supporting better health management and farm efficiency.
Authors: Rick S. Blum, Franziska Freytag
Abstract: Recent publications have suggested using the Shapley value for anomaly localization for sensor data systems. Using a reasonable mathematical anomaly model for full control, experiments indicate that using a single fixed term in the Shapley value calculation achieves a lower complexity anomaly localization test, with the same probability of error, as a test using the Shapley value for all cases tested. A proof demonstrates these conclusions must be true for all independent observation cases. For dependent observation cases, no proof is available.
Authors: Mayumi Nakano, Yuya Seki, Shuta Kikuchi, Shu Tanaka
Abstract: Black-box (BB) optimization problems aim to identify an input that minimizes the output of a function (the BB function) whose input-output relationship is unknown. Factorization machine with annealing (FMA) is a promising approach to this task, employing a factorization machine (FM) as a surrogate model to iteratively guide the solution search via an Ising machine. Although FMA has demonstrated strong optimization performance across various applications, its performance often stagnates as the number of optimization iterations increases. One contributing factor to this stagnation is the growing number of data points in the dataset used to train FM. It is hypothesized that as more data points are accumulated, the contribution of newly added data points becomes diluted within the entire dataset, thereby reducing their impact on improving the prediction accuracy of FM. To address this issue, we propose a novel method for sequential dataset construction that retains at most a specified number of the most recently added data points. This strategy is designed to enhance the influence of newly added data points on the surrogate model. Numerical experiments demonstrate that the proposed FMA achieves lower-cost solutions with fewer BB function evaluations compared to the conventional FMA.
Authors: Jinzhou Wu, Baoping Tang, Qikang Li, Yi Wang, Cheng Li, Shujian Yu
Abstract: Decoding motor imagery (MI) electroencephalogram (EEG) signals, a key non-invasive brain-computer interface (BCI) paradigm for controlling external systems, has been significantly advanced by deep learning. However, MI-EEG decoding remains challenging due to substantial inter-subject variability and limited labeled target data, which necessitate costly calibration for new users. Many existing multi-source domain adaptation (MSDA) methods indiscriminately incorporate all available source domains, disregarding the large inter-subject differences in EEG signals, which leads to negative transfer and excessive computational costs. Moreover, while many approaches focus on feature distribution alignment, they often neglect the explicit dependence between features and decision-level outputs, limiting their ability to preserve discriminative structures. To address these gaps, we propose a novel MSDA framework that leverages a pretrained large Brain Foundation Model (BFM) for dynamic and informed source subject selection, ensuring only relevant sources contribute to adaptation. Furthermore, we employ Cauchy-Schwarz (CS) and Conditional CS (CCS) divergences to jointly perform feature-level and decision-level alignment, enhancing domain invariance while maintaining class discriminability. Extensive evaluations on two benchmark MI-EEG datasets demonstrate that our framework outperforms a broad range of state-of-the-art baselines. Additional experiments with a large source pool validate the scalability and efficiency of BFM-guided selection, which significantly reduces training time without sacrificing performance.
Authors: Aditya Ravuri, Neil D. Lawrence
Abstract: We propose a probabilistic interpretation of transformers as unrolled inference steps assuming a probabilistic Laplacian Eigenmaps model from the ProbDR framework. Our derivation shows that at initialisation, transformers perform "linear" dimensionality reduction. We also show that within the transformer block, a graph Laplacian term arises from our arguments, rather than an attention matrix (which we interpret as an adjacency matrix). We demonstrate that simply subtracting the identity from the attention matrix (and thereby taking a graph diffusion step) improves validation performance on a language model and a simple vision transformer.
Authors: Zedong Wang, Siyuan Li, Dan Xu
Abstract: Despite the promise of Multi-Task Learning in leveraging complementary knowledge across tasks, existing multi-task optimization (MTO) techniques remain fixated on resolving conflicts via optimizer-centric loss scaling and gradient manipulation strategies, yet fail to deliver consistent gains. In this paper, we argue that the shared representation space, where task interactions naturally occur, offers rich information and potential for operations complementary to existing optimizers, especially for facilitating the inter-task complementarity, which is rarely explored in MTO. This intuition leads to Rep-MTL, which exploits the representation-level task saliency to quantify interactions between task-specific optimization and shared representation learning. By steering these saliencies through entropy-based penalization and sample-wise cross-task alignment, Rep-MTL aims to mitigate negative transfer by maintaining the effective training of individual tasks instead pure conflict-solving, while explicitly promoting complementary information sharing. Experiments are conducted on four challenging MTL benchmarks covering both task-shift and domain-shift scenarios. The results show that Rep-MTL, even paired with the basic equal weighting policy, achieves competitive performance gains with favorable efficiency. Beyond standard performance metrics, Power Law exponent analysis demonstrates Rep-MTL's efficacy in balancing task-specific learning and cross-task sharing. The project page is available at HERE.
Authors: David McAllister, Songwei Ge, Brent Yi, Chung Min Kim, Ethan Weber, Hongsuk Choi, Haiwen Feng, Angjoo Kanazawa
Abstract: Flow-based generative models, including diffusion models, excel at modeling continuous distributions in high-dimensional spaces. In this work, we introduce Flow Policy Optimization (FPO), a simple on-policy reinforcement learning algorithm that brings flow matching into the policy gradient framework. FPO casts policy optimization as maximizing an advantage-weighted ratio computed from the conditional flow matching loss, in a manner compatible with the popular PPO-clip framework. It sidesteps the need for exact likelihood computation while preserving the generative capabilities of flow-based models. Unlike prior approaches for diffusion-based reinforcement learning that bind training to a specific sampling method, FPO is agnostic to the choice of diffusion or flow integration at both training and inference time. We show that FPO can train diffusion-style policies from scratch in a variety of continuous control tasks. We find that flow-based models can capture multimodal action distributions and achieve higher performance than Gaussian policies, particularly in under-conditioned settings.
Authors: Khalid Hasan, Jamil Saquer, Mukulika Ghosh
Abstract: The rising prevalence of mental health disorders necessitates the development of robust, automated tools for early detection and monitoring. Recent advances in Natural Language Processing (NLP), particularly transformer-based architectures, have demonstrated significant potential in text analysis. This study provides a comprehensive evaluation of state-of-the-art transformer models (BERT, RoBERTa, DistilBERT, ALBERT, and ELECTRA) against Long Short-Term Memory (LSTM) based approaches using different text embedding techniques for mental health disorder classification on Reddit. We construct a large annotated dataset, validating its reliability through statistical judgmental analysis and topic modeling. Experimental results demonstrate the superior performance of transformer models over traditional deep-learning approaches. RoBERTa achieved the highest classification performance, with a 99.54% F1 score on the hold-out test set and a 96.05% F1 score on the external test set. Notably, LSTM models augmented with BERT embeddings proved highly competitive, achieving F1 scores exceeding 94% on the external dataset while requiring significantly fewer computational resources. These findings highlight the effectiveness of transformer-based models for real-time, scalable mental health monitoring. We discuss the implications for clinical applications and digital mental health interventions, offering insights into the capabilities and limitations of state-of-the-art NLP methodologies in mental disorder detection.
Authors: Vishakh Padmakumar, Joseph Chee Chang, Kyle Lo, Doug Downey, Aakanksha Naik
Abstract: The increasing volume of academic literature makes it essential for researchers to organize, compare, and contrast collections of documents. Large language models (LLMs) can support this process by generating schemas defining shared aspects along which to compare papers. However, progress on schema generation has been slow due to: (i) ambiguity in reference-based evaluations, and (ii) lack of editing/refinement methods. Our work is the first to address both issues. First, we present an approach for augmenting unannotated table corpora with synthesized intents and apply it to create a dataset for studying schema generation conditioned on a given information need, thus reducing ambiguity. With this dataset, we show how incorporating table intents significantly improves baseline performance in reconstructing reference schemas. Next, we propose several LLM-based schema editing techniques. We start by comprehensively benchmarking several single-shot schema generation methods, including prompted LLM workflows and fine-tuned models, showing that smaller, open-weight models can be fine-tuned to be competitive with state-of-the-art prompted LLMs. Then we demonstrate that our editing techniques can further improve schemas generated by these methods.
Authors: Harry Holt, Sebastien Origer, Dario Izzo
Abstract: Guidance & control networks (G&CNETs) provide a promising alternative to on-board guidance and control (G&C) architectures for spacecraft, offering a differentiable, end-to-end representation of the guidance and control architecture. When training G&CNETs, two predominant paradigms emerge: behavioural cloning (BC), which mimics optimal trajectories, and reinforcement learning (RL), which learns optimal behaviour through trials and errors. Although both approaches have been adopted in G&CNET related literature, direct comparisons are notably absent. To address this, we conduct a systematic evaluation of BC and RL specifically for training G&CNETs on continuous-thrust spacecraft trajectory optimisation tasks. We introduce a novel RL training framework tailored to G&CNETs, incorporating decoupled action and control frequencies alongside reward redistribution strategies to stabilise training and to provide a fair comparison. Our results show that BC-trained G&CNETs excel at closely replicating expert policy behaviour, and thus the optimal control structure of a deterministic environment, but can be negatively constrained by the quality and coverage of the training dataset. In contrast RL-trained G&CNETs, beyond demonstrating a superior adaptability to stochastic conditions, can also discover solutions that improve upon suboptimal expert demonstrations, sometimes revealing globally optimal strategies that eluded the generation of training samples.
Authors: Roger Guimera, Marta Sales-Pardo
Abstract: Symbolic regression automates the process of learning closed-form mathematical models from data. Standard approaches to symbolic regression, as well as newer deep learning approaches, rely on heuristic model selection criteria, heuristic regularization, and heuristic exploration of model space. Here, we discuss the probabilistic approach to symbolic regression, an alternative to such heuristic approaches with direct connections to information theory and statistical physics. We show how the probabilistic approach establishes model plausibility from basic considerations and explicit approximations, and how it provides guarantees of performance that heuristic approaches lack. We also discuss how the probabilistic approach compels us to consider model ensembles, as opposed to single models.
Authors: Gwendal Jouneaux, Jordi Cabot
Abstract: The growth of machine learning (ML) models and associated datasets triggers a consequent dramatic increase in energy costs for the use and training of these models. In the current context of environmental awareness and global sustainability concerns involving ICT, Green AI is becoming an important research topic. Initiatives like the AI Energy Score Ratings are a good example. Nevertheless, these benchmarking attempts are still to be integrated with existing work on Quality Models and Service-Level Agreements common in other, more mature, ICT subfields. This limits the (automatic) analysis of this model energy descriptions and their use in (semi)automatic model comparison, selection, and certification processes. We aim to leverage the concept of quality models and merge it with existing ML model reporting initiatives and Green/Frugal AI proposals to formalize a Sustainable Quality Model for AI/ML models. As a first step, we propose a new Domain-Specific Language to precisely define the sustainability aspects of an ML model (including the energy costs for its different tasks). This information can then be exported as an extended version of the well-known Model Cards initiative while, at the same time, being formal enough to be input of any other model description automatic process.
Authors: Brady K. Zhou, Jason J. Hu, Jane K. J. Lee, Z. Hong Zhou, Demetri Terzopoulos
Abstract: The past decade's "cryoEM revolution" has produced exponential growth in high-resolution structural data through advances in cryogenic electron microscopy (cryoEM) and tomography (cryoET). Deep learning integration into structural proteomics workflows addresses longstanding challenges including low signal-to-noise ratios, preferred orientation artifacts, and missing-wedge problems that historically limited efficiency and scalability. This review examines AI applications across the entire cryoEM pipeline, from automated particle picking using convolutional neural networks (Topaz, crYOLO, CryoSegNet) to computational solutions for preferred orientation bias (spIsoNet, cryoPROS) and advanced denoising algorithms (Topaz-Denoise). In cryoET, tools like IsoNet employ U-Net architectures for simultaneous missing-wedge correction and noise reduction, while TomoNet streamlines subtomogram averaging through AI-driven particle detection. The workflow culminates with automated atomic model building using sophisticated tools like ModelAngelo, DeepTracer, and CryoREAD that translate density maps into interpretable biological structures. These AI-enhanced approaches have achieved near-atomic resolution reconstructions with minimal manual intervention, resolved previously intractable datasets suffering from severe orientation bias, and enabled successful application to diverse biological systems from HIV virus-like particles to in situ ribosomal complexes. As deep learning evolves, particularly with large language models and vision transformers, the future promises sophisticated automation and accessibility in structural biology, potentially revolutionizing our understanding of macromolecular architecture and function.
Authors: You Wu, Philip E. Bourne, Lei Xie
Abstract: Artificial intelligence (AI) has sparked immense interest in drug discovery, but most current approaches only digitize existing high-throughput experiments. They remain constrained by conventional pipelines. As a result, they do not address the fundamental challenges of predicting drug effects in humans. Similarly, biomedical digital twins, largely grounded in real-world data and mechanistic models, are tailored for late-phase drug development and lack the resolution to model molecular interactions or their systemic consequences, limiting their impact in early-stage discovery. This disconnect between early discovery and late development is one of the main drivers of high failure rates in drug discovery. The true promise of AI lies not in augmenting current experiments but in enabling virtual experiments that are impossible in the real world: testing novel compounds directly in silico in the human body. Recent advances in AI, high-throughput perturbation assays, and single-cell and spatial omics across species now make it possible to construct programmable virtual humans: dynamic, multiscale models that simulate drug actions from molecular to phenotypic levels. By bridging the translational gap, programmable virtual humans offer a transformative path to optimize therapeutic efficacy and safety earlier than ever before. This perspective introduces the concept of programmable virtual humans, explores their roles in a new paradigm of drug discovery centered on human physiology, and outlines key opportunities, challenges, and roadmaps for their realization.
Authors: Ayush Roy, Samin Enam, Jun Xia, Vishnu Suresh Lokhande, Won Hwa Kim
Abstract: Data scarcity is a major challenge in medical imaging, particularly for deep learning models. While data pooling (combining datasets from multiple sources) and data addition (adding more data from a new dataset) have been shown to enhance model performance, they are not without complications. Specifically, increasing the size of the training dataset through pooling or addition can induce distributional shifts, negatively affecting downstream model performance, a phenomenon known as the "Data Addition Dilemma". While the traditional i.i.d. assumption may not hold in multi-source contexts, assuming exchangeability across datasets provides a more practical framework for data pooling. In this work, we investigate medical image segmentation under these conditions, drawing insights from causal frameworks to propose a method for controlling foreground-background feature discrepancies across all layers of deep networks. This approach improves feature representations, which are crucial in data-addition scenarios. Our method achieves state-of-the-art segmentation performance on histopathology and ultrasound images across five datasets, including a novel ultrasound dataset that we have curated and contributed. Qualitative results demonstrate more refined and accurate segmentation maps compared to prominent baselines across three model architectures. The code will be available on Github.
Authors: Shengyuan Wang, Jie Feng, Tianhui Liu, Dan Pei, Yong Li
Abstract: Large language models (LLMs) possess extensive world knowledge, including geospatial knowledge, which has been successfully applied to various geospatial tasks such as mobility prediction and social indicator prediction. However, LLMs often generate inaccurate geospatial knowledge, leading to geospatial hallucinations (incorrect or inconsistent representations of geospatial information) that compromise their reliability. While the phenomenon of general knowledge hallucination in LLMs has been widely studied, the systematic evaluation and mitigation of geospatial hallucinations remain largely unexplored. To address this gap, we propose a comprehensive evaluation framework for geospatial hallucinations, leveraging structured geospatial knowledge graphs for controlled assessment. Through extensive evaluation across 20 advanced LLMs, we uncover the hallucinations in their geospatial knowledge. Building on these insights, we introduce a dynamic factuality aligning method based on Kahneman-Tversky Optimization (KTO) to mitigate geospatial hallucinations in LLMs, leading to a performance improvement of over 29.6% on the proposed benchmark. Extensive experimental results demonstrate the effectiveness of our benchmark and learning algorithm in enhancing the trustworthiness of LLMs in geospatial knowledge and reasoning tasks.
Authors: Muntasir Wahed, Xiaona Zhou, Kiet A. Nguyen, Tianjiao Yu, Nirav Diwan, Gang Wang, Dilek Hakkani-T\"ur, Ismini Lourentzou
Abstract: Recent advancements in Large Language Models (LLMs) have significantly enhanced their code generation capabilities. However, their robustness against adversarial misuse, particularly through multi-turn malicious coding prompts, remains underexplored. In this work, we introduce code decomposition attacks, where a malicious coding task is broken down into a series of seemingly benign subtasks across multiple conversational turns to evade safety filters. To facilitate systematic evaluation, we introduce \benchmarkname{}, a large-scale benchmark designed to evaluate the robustness of code LLMs against both single-turn and multi-turn malicious prompts. Empirical results across open- and closed-source models reveal persistent vulnerabilities, especially under multi-turn scenarios. Fine-tuning on MOCHA improves rejection rates while preserving coding ability, and importantly, enhances robustness on external adversarial datasets with up to 32.4% increase in rejection rates without any additional supervision.
Authors: Michael Celentano, Chen Cheng, Ashwin Pananjady, Kabir Aladin Verchand
Abstract: We develop a toolbox for exact analysis of iterative algorithms on a class of high-dimensional nonconvex optimization problems with random data. While prior work has shown that low-dimensional statistics of (generalized) first-order methods can be predicted by a deterministic recursion known as state evolution, our focus is on developing such a prediction for a more general class of algorithms. We provide a state evolution for any method whose iterations are given by (possibly interleaved) first-order and saddle point updates, showing two main results. First, we establish a rigorous state evolution prediction that holds even when the updates are not coordinate-wise separable. Second, we establish finite-sample guarantees bounding the deviation of the empirical updates from the established state evolution. In the process, we develop a technical toolkit that may prove useful in related problems. One component of this toolkit is a general Hilbert space lifting technique to prove existence and uniqueness of a convenient parameterization of the state evolution. Another component of the toolkit combines a generic application of Bolthausen's conditioning method with a sequential variant of Gordon's Gaussian comparison inequality, and provides additional ingredients that enable a general finite-sample analysis.
Authors: Hsin-Yi Lin, Samuel Yen-Chi Chen, Huan-Hsin Tseng, Shinjae Yoo
Abstract: Hybrid quantum-classical frameworks leverage quantum computing for machine learning; however, variational quantum circuits (VQCs) are limited by the need for local measurements. We introduce an adaptive non-local observable (ANO) paradigm within VQCs for quantum reinforcement learning (QRL), jointly optimizing circuit parameters and multi-qubit measurements. The ANO-VQC architecture serves as the function approximator in Deep Q-Network (DQN) and Asynchronous Advantage Actor-Critic (A3C) algorithms. On multiple benchmark tasks, ANO-VQC agents outperform baseline VQCs. Ablation studies reveal that adaptive measurements enhance the function space without increasing circuit depth. Our results demonstrate that adaptive multi-qubit observables can enable practical quantum advantages in reinforcement learning.
Authors: Juan Fernando Riascos Goyes, Michael Lowry, Nicol\'as Guar\'in Zapata, Juan Pablo Ospina
Abstract: Urban morphology has long been recognized as a factor shaping human mobility, yet comparative and formal classifications of urban form across metropolitan areas remain limited. Building on theoretical principles of urban structure and advances in unsupervised learning, we systematically classified the built environment of nine U.S. metropolitan areas using structural indicators such as density, connectivity, and spatial configuration. The resulting morphological types were linked to mobility patterns through descriptive statistics, marginal effects estimation, and post hoc statistical testing. Here we show that distinct urban forms are systematically associated with different mobility behaviors, such as reticular morphologies being linked to significantly higher public transport use (marginal effect = 0.49) and reduced car dependence (-0.41), while organic forms are associated with increased car usage (0.44), and substantial declines in public transport (-0.47) and active mobility (-0.30). These effects are statistically robust (p < 1e-19), highlighting that the spatial configuration of urban areas plays a fundamental role in shaping transportation choices. Our findings extend previous work by offering a reproducible framework for classifying urban form and demonstrate the added value of morphological analysis in comparative urban research. These results suggest that urban form should be treated as a key variable in mobility planning and provide empirical support for incorporating spatial typologies into sustainable urban policy design.
Authors: Armen Manukyan, Hrant Khachatrian, Edvard Ghukasyan, Theofanis P. Raptis
Abstract: We study the realism of Sionna v1.0.2 ray-tracing for outdoor cellular links in central Rome. We use a real measurement set of 1,664 user-equipments (UEs) and six nominal base-station (BS) sites. Using these fixed positions we systematically vary the main simulation parameters, including path depth, diffuse/specular/refraction flags, carrier frequency, as well as antenna's properties like its altitude, radiation pattern, and orientation. Simulator fidelity is scored for each base station via Spearman correlation between measured and simulated powers, and by a fingerprint-based k-nearest-neighbor localization algorithm using RSSI-based fingerprints. Across all experiments, solver hyper-parameters are having immaterial effect on the chosen metrics. On the contrary, antenna locations and orientations prove decisive. By simple greedy optimization we improve the Spearman correlation by 5% to 130% for various base stations, while kNN-based localization error using only simulated data as reference points is decreased by one-third on real-world samples, while staying twice higher than the error with purely real data. Precise geometry and credible antenna models are therefore necessary but not sufficient; faithfully capturing the residual urban noise remains an open challenge for transferable, high-fidelity outdoor RF simulation.
Authors: Leo Guo, Adwait Inamdar, Willem D. van Driel, GuoQi Zhang
Abstract: Solder joint reliability related to failures due to thermomechanical loading is a critically important yet physically complex engineering problem. As a result, simulated behavior is oftentimes computationally expensive. In an increasingly data-driven world, the usage of efficient data-driven design schemes is a popular choice. Among them, Bayesian optimization (BO) with Gaussian process regression is one of the most important representatives. The authors argue that computational savings can be obtained from exploiting thorough surrogate modeling and selecting a design candidate based on multiple acquisition functions. This is feasible due to the relatively low computational cost, compared to the expensive simulation objective. This paper addresses the shortcomings in the adjacent literature by providing and implementing a novel heuristic framework to perform BO with adaptive hyperparameters across the various optimization iterations. Adaptive BO is subsequently compared to regular BO when faced with synthetic objective minimization problems. The results show the efficiency of adaptive BO when compared any worst-performing regular Bayesian schemes. As an engineering use case, the solder joint reliability problem is tackled by minimizing the accumulated non-linear creep strain under a cyclic thermal load. Results show that adaptive BO outperforms regular BO by 3% on average at any given computational budget threshold, critically saving half of the computational expense budget. This practical result underlines the methodological potential of the adaptive Bayesian data-driven methodology to achieve better results and cut optimization-related expenses. Lastly, in order to promote the reproducibility of the results, the data-driven implementations are made available on an open-source basis.
Authors: Haoran Lu, Luyang Fang, Ruidong Zhang, Xinliang Li, Jiazhang Cai, Huimin Cheng, Lin Tang, Ziyu Liu, Zeliang Sun, Tao Wang, Yingchuan Zhang, Arif Hassan Zidan, Jinwen Xu, Jincheng Yu, Meizhi Yu, Hanqi Jiang, Xilin Gong, Weidi Luo, Bolun Sun, Yongkai Chen, Terry Ma, Shushan Wu, Yifan Zhou, Junhao Chen, Haotian Xiang, Jing Zhang, Afrar Jahin, Wei Ruan, Ke Deng, Yi Pan, Peilong Wang, Jiahui Li, Zhengliang Liu, Lu Zhang, Lin Zhao, Wei Liu, Dajiang Zhu, Xin Xing, Fei Dou, Wei Zhang, Chao Huang, Rongjie Liu, Mengrui Zhang, Yiwen Liu, Xiaoxiao Sun, Qin Lu, Zhen Xiang, Wenxuan Zhong, Tianming Liu, Ping Ma
Abstract: Due to the remarkable capabilities and growing impact of large language models (LLMs), they have been deeply integrated into many aspects of society. Thus, ensuring their alignment with human values and intentions has emerged as a critical challenge. This survey provides a comprehensive overview of practical alignment techniques, training protocols, and empirical findings in LLM alignment. We analyze the development of alignment methods across diverse paradigms, characterizing the fundamental trade-offs between core alignment objectives. Our analysis shows that while supervised fine-tuning enables basic instruction-following, preference-based methods offer more flexibility for aligning with nuanced human intent. We discuss state-of-the-art techniques, including Direct Preference Optimization (DPO), Constitutional AI, brain-inspired methods, and alignment uncertainty quantification (AUQ), highlighting their approaches to balancing quality and efficiency. We review existing evaluation frameworks and benchmarking datasets, emphasizing limitations such as reward misspecification, distributional robustness, and scalable oversight. We summarize strategies adopted by leading AI labs to illustrate the current state of practice. We conclude by outlining open problems in oversight, value pluralism, robustness, and continuous alignment. This survey aims to inform both researchers and practitioners navigating the evolving landscape of LLM alignment.
Authors: Mohammed A. Ramadhan, Abdulhakeem O. Mohammed
Abstract: Identifying influential nodes in complex networks is a critical task with a wide range of applications across different domains. However, existing approaches often face trade-offs between accuracy and computational efficiency. To address these challenges, we propose 1D-CGS, a lightweight and effective hybrid model that integrates the speed of one-dimensional convolutional neural networks (1D-CNN) with the topological representation power of GraphSAGE for efficient node ranking. The model uses a lightweight input representation built on two straightforward and significant topological features: node degree and average neighbor degree. These features are processed through 1D convolutions to extract local patterns, followed by GraphSAGE layers to aggregate neighborhood information. We formulate the node ranking task as a regression problem and use the Susceptible-Infected-Recovered (SIR) model to generate ground truth influence scores. 1D-CGS is initially trained on synthetic networks generated by the Barabasi-Albert model and then applied to real world networks for identifying influential nodes. Experimental evaluations on twelve real world networks demonstrate that 1D-CGS significantly outperforms traditional centrality measures and recent deep learning models in ranking accuracy, while operating in very fast runtime. The proposed model achieves an average improvement of 4.73% in Kendall's Tau correlation and 7.67% in Jaccard Similarity over the best performing deep learning baselines. It also achieves an average Monotonicity Index (MI) score 0.99 and produces near perfect rank distributions, indicating highly unique and discriminative rankings. Furthermore, all experiments confirm that 1D-CGS operates in a highly reasonable time, running significantly faster than existing deep learning methods, making it suitable for large scale applications.
Authors: Ngoc Hung Nguyen, Nguyen Van Thieu, Quang-Trung Luu, Anh Tuan Nguyen, Senura Wanasekara, Nguyen Cong Luong, Fatemeh Kavehmadavani, Van-Dinh Nguyen
Abstract: In this paper, we explore mission assignment and task offloading in an Open Radio Access Network (Open RAN)-based intelligent transportation system (ITS), where autonomous vehicles leverage mobile edge computing for efficient processing. Existing studies often overlook the intricate interdependencies between missions and the costs associated with offloading tasks to edge servers, leading to suboptimal decision-making. To bridge this gap, we introduce Oranits, a novel system model that explicitly accounts for mission dependencies and offloading costs while optimizing performance through vehicle cooperation. To achieve this, we propose a twofold optimization approach. First, we develop a metaheuristic-based evolutionary computing algorithm, namely the Chaotic Gaussian-based Global ARO (CGG-ARO), serving as a baseline for one-slot optimization. Second, we design an enhanced reward-based deep reinforcement learning (DRL) framework, referred to as the Multi-agent Double Deep Q-Network (MA-DDQN), that integrates both multi-agent coordination and multi-action selection mechanisms, significantly reducing mission assignment time and improving adaptability over baseline methods. Extensive simulations reveal that CGG-ARO improves the number of completed missions and overall benefit by approximately 7.1% and 7.7%, respectively. Meanwhile, MA-DDQN achieves even greater improvements of 11.0% in terms of mission completions and 12.5% in terms of the overall benefit. These results highlight the effectiveness of Oranits in enabling faster, more adaptive, and more efficient task processing in dynamic ITS environments.
Authors: David Bauer, Qi Wu, Hamid Gadirov, Kwan-Liu Ma
Abstract: Real-time path tracing is rapidly becoming the standard for rendering in entertainment and professional applications. In scientific visualization, volume rendering plays a crucial role in helping researchers analyze and interpret complex 3D data. Recently, photorealistic rendering techniques have gained popularity in scientific visualization, yet they face significant challenges. One of the most prominent issues is slow rendering performance and high pixel variance caused by Monte Carlo integration. In this work, we introduce a novel radiance caching approach for path-traced volume rendering. Our method leverages advances in volumetric scene representation and adapts 3D Gaussian splatting to function as a multi-level, path-space radiance cache. This cache is designed to be trainable on the fly, dynamically adapting to changes in scene parameters such as lighting configurations and transfer functions. By incorporating our cache, we achieve less noisy, higher-quality images without increasing rendering costs. To evaluate our approach, we compare it against a baseline path tracer that supports uniform sampling and next-event estimation and the state-of-the-art for neural radiance caching. Through both quantitative and qualitative analyses, we demonstrate that our path-space radiance cache is a robust solution that is easy to integrate and significantly enhances the rendering quality of volumetric visualization applications while maintaining comparable computational efficiency.
Authors: Yuzhang Xie, Xu Han, Ran Xu, Xiao Hu, Jiaying Lu, Carl Yang
Abstract: Knowledge graphs (KGs) are important products of the semantic web, which are widely used in various application domains. Healthcare is one of such domains where KGs are intensively used, due to the high requirement for knowledge accuracy and interconnected nature of healthcare data. However, KGs storing general factual information often lack the ability to account for important contexts of the knowledge such as the status of specific patients, which are crucial in precision healthcare. Meanwhile, electronic health records (EHRs) provide rich personal data, including various diagnoses and medications, which provide natural contexts for general KGs. In this paper, we propose HypKG, a framework that integrates patient information from EHRs into KGs to generate contextualized knowledge representations for accurate healthcare predictions. Using advanced entity-linking techniques, we connect relevant knowledge from general KGs with patient information from EHRs, and then utilize a hypergraph model to "contextualize" the knowledge with the patient information. Finally, we employ hypergraph transformers guided by downstream prediction tasks to jointly learn proper contextualized representations for both KGs and patients, fully leveraging existing knowledge in KGs and patient contexts in EHRs. In experiments using a large biomedical KG and two real-world EHR datasets, HypKG demonstrates significant improvements in healthcare prediction tasks across multiple evaluation metrics. Additionally, by integrating external contexts, HypKG can learn to adjust the representations of entities and relations in KG, potentially improving the quality and real-world utility of knowledge.
Authors: Qinlong Li, Pu Sun, Guanlin Zhu, Tianjiao Liang, Honggang QI
Abstract: Prognostic evaluation in patients with colorectal liver metastases (CRLM) remains challenging due to suboptimal accuracy of conventional clinical models. This study developed and validated a robust machine learning model for predicting postoperative recurrence risk. Preliminary ensemble models achieved exceptionally high performance (AUC $>$ 0.98) but incorporated postoperative features, introducing data leakage risks. To enhance clinical applicability, we restricted input variables to preoperative baseline clinical parameters and radiomic features from contrast-enhanced CT imaging, specifically targeting recurrence prediction at 3, 6, and 12 months postoperatively. The 3-month recurrence prediction model demonstrated optimal performance with an AUC of 0.723 in cross-validation. Decision curve analysis revealed that across threshold probabilities of 0.55-0.95, the model consistently provided greater net benefit than "treat-all" or "treat-none" strategies, supporting its utility in postoperative surveillance and therapeutic decision-making. This study successfully developed a robust predictive model for early CRLM recurrence with confirmed clinical utility. Importantly, it highlights the critical risk of data leakage in clinical prognostic modeling and proposes a rigorous framework to mitigate this issue, enhancing model reliability and translational value in real-world settings.
Authors: Yanbin Li, Canran Xiao, Hongyang He, Shenghai Yuan, Zong Ke, Jiajie Yu, Zixiong Qin, Zhiguo Zhang, Wenzheng Chi, Wei Zhang
Abstract: Particle filter-based 2D-SLAM is widely used in indoor localization tasks due to its efficiency. However, indoor environments such as long straight corridors can cause severe degeneracy problems in SLAM. In this paper, we use Proximal Policy Optimization (PPO) to train an adaptive degeneracy optimization agent (DOA) to address degeneracy problem. We propose a systematic methodology to address three critical challenges in traditional supervised learning frameworks: (1) data acquisition bottlenecks in degenerate dataset, (2) inherent quality deterioration of training samples, and (3) ambiguity in annotation protocol design. We design a specialized reward function to guide the agent in developing perception capabilities for degenerate environments. Using the output degeneracy factor as a reference weight, the agent can dynamically adjust the contribution of different sensors to pose optimization. Specifically, the observation distribution is shifted towards the motion model distribution, with the step size determined by a linear interpolation formula related to the degeneracy factor. In addition, we employ a transfer learning module to endow the agent with generalization capabilities across different environments and address the inefficiency of training in degenerate environments. Finally, we conduct ablation studies to demonstrate the rationality of our model design and the role of transfer learning. We also compare the proposed DOA with SOTA methods to prove its superior degeneracy detection and optimization capabilities across various environments.
Authors: Dongfang Zhao
Abstract: Recent work has provided compelling evidence challenging the foundational manifold hypothesis for the token embedding spaces of Large Language Models (LLMs). These findings reveal the presence of geometric singularities around polysemous tokens, which can lead to representational instability. Existing methodologies, which presuppose a smooth data manifold, are ill-equipped to address such intrinsic structural flaws. In this paper, we formalize this problem in the language of scheme theory and propose a rigorous resolution by applying the scheme-theoretic blow-up at each singular point. This procedure replaces a singular point in the ambient affine scheme with its exceptional divisor, which we identify as a canonical geometric space -- a projective space of directions -- that houses the disambiguated semantic meanings of the token. This process of ``representational desingularization'' constructs a new geometric landscape for embeddings. We prove a formal theorem guaranteeing the geometric regularization of this new space, showing that the original pathologies are resolved. Finally, we outline the architectural implications of our framework, arguing for a paradigm shift from static look-ups to dynamic, geometrically-grounded computation.
Authors: Joseph Ko, Jerry Harrington, Kara Sulia, Vanessa Przybylo, Marcus van Lier-Walqui, Kara Lamb
Abstract: The microphysical properties of ice crystals are important because they significantly alter the radiative properties and spatiotemporal distributions of clouds, which in turn strongly affect Earth's climate. However, it is challenging to measure key properties of ice crystals, such as mass or morphological features. Here, we present a framework for predicting three-dimensional (3D) microphysical properties of ice crystals from in situ two-dimensional (2D) imagery. First, we computationally generate synthetic ice crystals using 3D modeling software along with geometric parameters estimated from the 2021 Ice Cryo-Encapsulation Balloon (ICEBall) field campaign. Then, we use synthetic crystals to train machine learning (ML) models to predict effective density ($\rho_{e}$), effective surface area ($A_e$), and number of bullets ($N_b$) from synthetic rosette imagery. When tested on unseen synthetic images, we find that our ML models can predict microphysical properties with high accuracy. For $\rho_{e}$ and $A_e$, respectively, our best-performing single view models achieved $R^2$ values of 0.99 and 0.98. For $N_b$, our best single view model achieved a balanced accuracy and F1 score of 0.91. We also quantify the marginal prediction improvements from incorporating a second view. A stereo view ResNet-18 model reduced RMSE by 40% for both $\rho_e$ and $A_e$, relative to a single view ResNet-18 model. For $N_b$, we find that a stereo view ResNet-18 model improved the F1 score by 8%. This work provides a novel ML-driven framework for estimating ice microphysical properties from in situ imagery, which will allow for downstream constraints on microphysical parameterizations, such as the mass-size relationship.
Authors: Agnideep Aich, Ashit Baran Aich, Md Monzur Murshed, Sameera Hewage, Bruce Wade
Abstract: Modern neural networks, despite their high accuracy, often produce poorly calibrated confidence scores, limiting their reliability in high-stakes applications. Existing calibration methods typically post-process model outputs without interrogating the internal consistency of the predictions themselves. In this work, we introduce a novel, non-parametric statistical probe, the Bag-of-Coins (BoC) test, that examines the internal consistency of a classifier's logits. The BoC test reframes confidence estimation as a frequentist hypothesis test: does the model's top-ranked class win 1-v-1 contests against random competitors at a rate consistent with its own stated softmax probability? When applied to modern deep learning architectures, this simple probe reveals a fundamental dichotomy. On Vision Transformers (ViTs), the BoC output serves as a state-of-the-art confidence score, achieving near-perfect calibration with an ECE of 0.0212, an 88% improvement over a temperature-scaled baseline. Conversely, on Convolutional Neural Networks (CNNs) like ResNet, the probe reveals a deep inconsistency between the model's predictions and its internal logit structure, a property missed by traditional metrics. We posit that BoC is not merely a calibration method, but a new diagnostic tool for understanding and exposing the differing ways that popular architectures represent uncertainty.
Authors: Daniel La'ah Ayuba, Jean-Yves Guillemaut, Belen Marti-Cardona, Oscar Mendez Maldonado
Abstract: Self-supervised learning has revolutionized representation learning in vision and language, but remains underexplored for hyperspectral imagery (HSI), where the sequential structure of spectral bands offers unique opportunities. In this work, we propose Spectral Band Permutation Prediction (SpecBPP), a novel self-supervised learning framework that leverages the inherent spectral continuity in HSI. Instead of reconstructing masked bands, SpecBPP challenges a model to recover the correct order of shuffled spectral segments, encouraging global spectral understanding. We implement a curriculum-based training strategy that progressively increases permutation difficulty to manage the factorial complexity of the permutation space. Applied to Soil Organic Carbon (SOC) estimation using EnMAP satellite data, our method achieves state-of-the-art results, outperforming both masked autoencoder (MAE) and joint-embedding predictive (JEPA) baselines. Fine-tuned on limited labeled samples, our model yields an $R^2$ of 0.9456, RMSE of 1.1053%, and RPD of 4.19, significantly surpassing traditional and self-supervised benchmarks. Our results demonstrate that spectral order prediction is a powerful pretext task for hyperspectral understanding, opening new avenues for scientific representation learning in remote sensing and beyond.
Authors: Sara M. Ichinaga, Steven L. Brunton, Aleksandr Y. Aravkin, J. Nathan Kutz
Abstract: The dynamic mode decomposition (DMD) is a data-driven approach that extracts the dominant features from spatiotemporal data. In this work, we introduce sparse-mode DMD, a new variant of the optimized DMD framework that specifically leverages sparsity-promoting regularization in order to approximate DMD modes which have localized spatial structure. The algorithm maintains the noise-robust properties of optimized DMD while disambiguating between modes which are spatially local versus global in nature. In many applications, such modes are associated with discrete and continuous spectra respectively, thus allowing the algorithm to explicitly construct, in an unsupervised manner, the distinct portions of the spectrum. We demonstrate this by analyzing synthetic and real-world systems, including examples from optical waveguides, quantum mechanics, and sea surface temperature data.
Authors: Steven Walton
Abstract: Major advancements in the capabilities of computer vision models have been primarily fueled by rapid expansion of datasets, model parameters, and computational budgets, leading to ever-increasing demands on computational infrastructure. However, as these models are deployed in increasingly diverse and resource-constrained environments, there is a pressing need for architectures that can deliver high performance while requiring fewer computational resources. This dissertation focuses on architectural principles through which models can achieve increased performance while reducing their computational demands. We discuss strides towards this goal through three directions. First, we focus on data ingress and egress, investigating how information may be passed into and retrieved from our core neural processing units. This ensures that our models make the most of available data, allowing smaller architectures to become more performant. Second, we investigate modifications to the core neural architecture, applied to restricted attention in vision transformers. This section explores how removing uniform context windows in restricted attention increases the expressivity of the underlying neural architecture. Third, we explore the natural structures of Normalizing Flows and how we can leverage these properties to better distill model knowledge. These contributions demonstrate that careful design of neural architectures can increase the efficiency of machine learning algorithms, allowing them to become smaller, faster, and cheaper.
Authors: Wenzheng Shu, Kangqi Xu, Wenxin Tai, Ting Zhong, Yong Wang, Fan Zhou
Abstract: Trip recommendation has emerged as a highly sought-after service over the past decade. Although current studies significantly understand human intention consistency, they struggle with undesired repetitive outcomes that need resolution. We make two pivotal discoveries using statistical analyses and experimental designs: (1) The occurrence of repetitions is intricately linked to the models and decoding strategies. (2) During training and decoding, adding perturbations to logits can reduce repetition. Motivated by these observations, we introduce AR-Trip (Anti Repetition for Trip Recommendation), which incorporates a cycle-aware predictor comprising three mechanisms to avoid duplicate Points-of-Interest (POIs) and demonstrates their effectiveness in alleviating repetition. Experiments on four public datasets illustrate that AR-Trip successfully mitigates repetition issues while enhancing precision.
Authors: Mouyang Cheng, Weiliang Luo, Hao Tang, Bowen Yu, Yongqiang Cheng, Weiwei Xie, Ju Li, Heather J. Kulik, Mingda Li
Abstract: Diffusion-based deep generative models have emerged as powerful tools for inverse materials design. Yet, many existing approaches overlook essential chemical constraints such as oxidation state balance, which can lead to chemically invalid structures. Here we introduce CrysVCD (Crystal generator with Valence-Constrained Design), a modular framework that integrates chemical rules directly into the generative process. CrysVCD first employs a transformer-based elemental language model to generate valence-balanced compositions, followed by a diffusion model to generate crystal structures. The valence constraint enables orders-of-magnitude more efficient chemical valence checking, compared to pure data-driven approaches with post-screening. When fine-tuned on stability metrics, CrysVCD achieves 85% thermodynamic stability and 68% phonon stability. Moreover, CrysVCD supports conditional generation of functional materials, enabling discovery of candidates such as high thermal conductivity semiconductors and high-$\kappa$ dielectric compounds. Designed as a general-purpose plugin, CrysVCD can be integrated into diverse generative pipeline to promote chemical validity, offering a reliable, scientifically grounded path for materials discovery.
Authors: Fran\c{c}ois Charih, James R. Green, Kyle K. Biggar
Abstract: Aberrant protein-protein interactions (PPIs) underpin a plethora of human diseases, and disruption of these harmful interactions constitute a compelling treatment avenue. Advances in computational approaches to PPI prediction have closely followed progress in deep learning and natural language processing. In this review, we outline the state-of the-art for sequence-based PPI prediction methods and explore their impact on target identification and drug discovery. We begin with an overview of commonly used training data sources and techniques used to curate these data to enhance the quality of the training set. Subsequently, we survey various PPI predictor types, including traditional similarity-based approaches, and deep learning-based approaches with a particular emphasis on the transformer architecture. Finally, we provide examples of PPI prediction in systems-level proteomics analyses, target identification, and design of therapeutic peptides and antibodies. We also take the opportunity to showcase the potential of PPI-aware drug discovery models in accelerating therapeutic development.
Authors: Dongquan Yang, Yifan Yang, Xiaotian Yu, Xianbiao Qi, Rong Xiao
Abstract: Processing long-context inputs with large language models presents a significant challenge due to the enormous memory requirements of the Key-Value (KV) cache during inference. Existing KV cache compression methods exhibit noticeable performance degradation when memory is reduced by more than 85%. Additionally, strategies that leverage GPU-CPU collaboration for approximate attention remain underexplored in this setting. We propose HCAttention, a heterogeneous attention computation framework that integrates key quantization, value offloading, and dynamic KV eviction to enable efficient inference under extreme memory constraints. The method is compatible with existing transformer architectures and does not require model fine-tuning. Experimental results on the LongBench benchmark demonstrate that our approach preserves the accuracy of full-attention model while shrinking the KV cache memory footprint to 25% of its original size. Remarkably, it stays competitive with only 12.5% of the cache, setting a new state-of-the-art in LLM KV cache compression. To the best of our knowledge, HCAttention is the first to extend the Llama-3-8B model to process 4 million tokens on a single A100 GPU with 80GB memory.
Authors: Maximilian Tschuchnig, Michael Gadermayr, Khalifa Djemal
Abstract: Automated breast cancer classification from mammography remains a significant challenge due to subtle distinctions between benign and malignant tissue. In this work, we present a hybrid framework combining deep convolutional features from a ResNet-50 backbone with handcrafted descriptors and transformer-based embeddings. Using the CBIS-DDSM dataset, we benchmark our ResNet-50 baseline (AUC: 78.1%) and demonstrate that fusing handcrafted features with deep ResNet-50 and DINOv2 features improves AUC to 79.6% (setup d1), with a peak recall of 80.5% (setup d1) and highest F1 score of 67.4% (setup d1). Our experiments show that handcrafted features not only complement deep representations but also enhance performance beyond transformer-based embeddings. This hybrid fusion approach achieves results comparable to state-of-the-art methods while maintaining architectural simplicity and computational efficiency, making it a practical and effective solution for clinical decision support.
Authors: Chia-Ming Lee, Bo-Cheng Qiu, Ting-Yao Chen, Ming-Han Sun, Fang-Ying Lin, Jung-Tse Tsai, I-An Tsai, Yu-Fan Lin, Chih-Chung Hsu
Abstract: Multi-source CT-scan classification suffers from domain shifts that impair cross-source generalization. While preprocessing pipelines combining Spatial-Slice Feature Learning (SSFL++) and Kernel-Density-based Slice Sampling (KDS) have shown empirical success, the mechanisms underlying their domain robustness remain underexplored. This study analyzes how this input-space standardization manages the trade-off between local discriminability and cross-source generalization. The SSFL++ and KDS pipeline performs spatial and temporal standardization to reduce inter-source variance, effectively mapping disparate inputs into a consistent target space. This preemptive alignment mitigates domain shift and simplifies the learning task for network optimization. Experimental validation demonstrates consistent improvements across architectures, proving the benefits stem from the preprocessing itself. The approach's effectiveness was validated by securing first place in a competitive challenge, supporting input-space standardization as a robust and practical solution for multi-institutional medical imaging.
Authors: Maida Wang, Xiao Xue, Peter V. Coveney
Abstract: Learning the behaviour of chaotic systems remains challenging due to instability in long-term predictions and difficulties in accurately capturing invariant statistical properties. While quantum machine learning offers a promising route to efficiently capture physical properties from high-dimensional data, its practical deployment is hindered by current hardware noise and limited scalability. We introduce a quantum-informed machine learning framework for learning partial differential equations, with an application focus on chaotic systems. A quantum circuit Born machine is employed to learn the invariant properties of chaotic dynamical systems, achieving substantial memory efficiency by representing these complex physical statistics with a compact set of trainable circuit parameters. This approach reduces the data storage requirement by over two orders of magnitude compared to the raw simulation data. The resulting statistical quantum-informed prior is then incorporated into a Koopman-based auto-regressive model to address issues such as gradient vanishing or explosion, while maintaining long-term statistical fidelity. The framework is evaluated on three representative systems: the Kuramoto-Sivashinsky equation, two-dimensional Kolmogorov flow and turbulent channel flow. In all cases, the quantum-informed model achieves superior performance compared to its classical counterparts without quantum priors. This hybrid architecture offers a practical route for learning dynamical systems using near-term quantum hardware.
Authors: Lechen Feng, Xun Li, Yuan-Hua Ni
Abstract: This work is a companion paper of [8], where the distributed linear-quadratic problem with fixed communication topology (DFT-LQ) and the sparse feedback LQ problem (SF-LQ) are formulated into a nonsmooth and nonconvex optimization problem with affine constraints. Moreover, a penalty approach is considered in \cite{feng-part1}, and the PALM (proximal alternating linearized minimization) algorithm is studied with convergence and complexity analysis. In this paper, we aim to address the inherent drawbacks of the penalty approach, such as the challenge of tuning the penalty parameter and the risk of introducing spurious stationary points. Specifically, we first reformulate the SF-LQ problem and the DFT-LQ problem from an epi-composition function perspective, aiming to solve the constrained problem directly. Then, from a theoretical viewpoint, we revisit the alternating direction method of multipliers (ADMM) and establish its convergence to the set of cluster points under certain assumptions. When these assumptions do not hold, we can effectively utilize alternative approaches combining subgradient descent with Difference-of-Convex relaxation methods. In summary, our results enable the direct design of group-sparse feedback gains with theoretical guarantees, without resorting to convex surrogates, restrictive structural assumptions, or penalty formulations that incorporate constraints into the cost function.
Authors: Parsa Vares, \'Eloi Durant, Jun Pang, Nicolas M\'edoc, Mohammad Ghoniem
Abstract: Thompson Sampling (TS) and its variants are powerful Multi-Armed Bandit algorithms used to balance exploration and exploitation strategies in active learning. Yet, their probabilistic nature often turns them into a ``black box'', hindering debugging and trust. We introduce TS-Insight, a visual analytics tool explicitly designed to shed light on the internal decision mechanisms of Thompson Sampling-based algorithms, for model developers. It comprises multiple plots, tracing for each arm the evolving posteriors, evidence counts, and sampling outcomes, enabling the verification, diagnosis, and explainability of exploration/exploitation dynamics. This tool aims at fostering trust and facilitating effective debugging and deployment in complex binary decision-making scenarios especially in sensitive domains requiring interpretable decision-making.
Authors: Roman Mach\'a\v{c}ek, Anastasiia Grishina, Max Hort, Leon Moonen
Abstract: Automated Program Repair (APR) uses various tools and techniques to help developers achieve functional and error-free code faster. In recent years, Large Language Models (LLMs) have gained popularity as components in APR tool chains because of their performance and flexibility. However, training such models requires a significant amount of resources. Fine-tuning techniques have been developed to adapt pre-trained LLMs to specific tasks, such as APR, and enhance their performance at far lower computational costs than training from scratch. In this study, we empirically investigate the impact of various fine-tuning techniques on the performance of LLMs used for APR. Our experiments provide insights into the performance of a selection of state-of-the-art LLMs pre-trained on code. The evaluation is done on three popular APR benchmarks (i.e., QuixBugs, Defects4J and HumanEval-Java) and considers six different LLMs with varying parameter sizes (resp. CodeGen, CodeT5, StarCoder, DeepSeekCoder, Bloom, and CodeLlama-2). We consider three training regimens: no fine-tuning, full fine-tuning, and parameter-efficient fine-tuning (PEFT) using LoRA and IA3. We observe that full fine-tuning techniques decrease the benchmarking performance of various models due to different data distributions and overfitting. By using parameter-efficient fine-tuning methods, we restrict models in the amount of trainable parameters and achieve better results. Keywords: large language models, automated program repair, parameter-efficient fine-tuning, AI4Code, AI4SE, ML4SE.
Authors: Zhongnian Li, Chao Zheng, Jian Xiao, Ji Wang, Gongpu Wang, Ming Zeng, Octavia A. Dobre
Abstract: This paper investigates joint channel estimation and positioning in near-field sparse extra-large multiple-input multiple-output (XL-MIMO) orthogonal frequency division multiplexing (OFDM) systems. To achieve cooperative gains between channel estimation and positioning, we propose a deep learning-based two-stage framework comprising positioning and channel estimation. In the positioning stage, the user's coordinates are predicted and utilized in the channel estimation stage, thereby enhancing the accuracy of channel estimation. Within this framework, we propose a U-shaped Mamba architecture for channel estimation and positioning, termed as CP-Mamba. This network integrates the strengths of the Mamba model with the structural advantages of U-shaped convolutional networks, enabling effective capture of local spatial features and long-range temporal dependencies of the channel. Numerical simulation results demonstrate that the proposed two-stage approach with CP-Mamba architecture outperforms existing baseline methods. Moreover, sparse arrays (SA) exhibit significantly superior performance in both channel estimation and positioning accuracy compared to conventional compact arrays.
Authors: Supawich Sitdhipol, Waritwong Sukprasongdee, Ekapol Chuangsuwanich, Rina Tse
Abstract: Fusing information from human observations can help robots overcome sensing limitations in collaborative tasks. However, an uncertainty-aware fusion framework requires a grounded likelihood representing the uncertainty of human inputs. This paper presents a Feature Pyramid Likelihood Grounding Network (FP-LGN) that grounds spatial language by learning relevant map image features and their relationships with spatial relation semantics. The model is trained as a probability estimator to capture aleatoric uncertainty in human language using three-stage curriculum learning. Results showed that FP-LGN matched expert-designed rules in mean Negative Log-Likelihood (NLL) and demonstrated greater robustness with lower standard deviation. Collaborative sensing results demonstrated that the grounded likelihood successfully enabled uncertainty-aware fusion of heterogeneous human language observations and robot sensor measurements, achieving significant improvements in human-robot collaborative task performance.
Authors: Zhaobin Xu
Abstract: Medical image analysis plays a pivotal role in the early diagnosis of diseases such as skin lesions. However, the scarcity of data and the class imbalance significantly hinder the performance of deep learning models. We propose a novel method that leverages the pretrained Stable Diffusion-2.0 model to generate high-quality synthetic skin lesion images and corresponding segmentation masks. This approach augments training datasets for classification and segmentation tasks. We adapt Stable Diffusion-2.0 through domain-specific Low-Rank Adaptation (LoRA) fine-tuning and joint optimization of multi-objective loss functions, enabling the model to simultaneously generate clinically relevant images and segmentation masks conditioned on textual descriptions in a single step. Experimental results show that the generated images, validated by FID scores, closely resemble real images in quality. A hybrid dataset combining real and synthetic data markedly enhances the performance of classification and segmentation models, achieving substantial improvements in accuracy and F1-score of 8% to 15%, with additional positive gains in other key metrics such as the Dice coefficient and IoU. Our approach offers a scalable solution to address the challenges of medical imaging data, contributing to improved accuracy and reliability in diagnosing rare diseases.
Authors: Aude Billard, Alin Albu-Schaeffer, Michael Beetz, Wolfram Burgard, Peter Corke, Matei Ciocarlie, Ravinder Dahiya, Danica Kragic, Ken Goldberg, Yukie Nagai, Davide Scaramuzza
Abstract: AI technologies, including deep learning, large-language models have gone from one breakthrough to the other. As a result, we are witnessing growing excitement in robotics at the prospect of leveraging the potential of AI to tackle some of the outstanding barriers to the full deployment of robots in our daily lives. However, action and sensing in the physical world pose greater and different challenges than analysing data in isolation. As the development and application of AI in robotic products advances, it is important to reflect on which technologies, among the vast array of network architectures and learning models now available in the AI field, are most likely to be successfully applied to robots; how they can be adapted to specific robot designs, tasks, environments; which challenges must be overcome. This article offers an assessment of what AI for robotics has achieved since the 1990s and proposes a short- and medium-term research roadmap listing challenges and promises. These range from keeping up-to-date large datasets, representatives of a diversity of tasks robots may have to perform, and of environments they may encounter, to designing AI algorithms tailored specifically to robotics problems but generic enough to apply to a wide range of applications and transfer easily to a variety of robotic platforms. For robots to collaborate effectively with humans, they must predict human behavior without relying on bias-based profiling. Explainability and transparency in AI-driven robot control are not optional but essential for building trust, preventing misuse, and attributing responsibility in accidents. We close on what we view as the primary long-term challenges, that is, to design robots capable of lifelong learning, while guaranteeing safe deployment and usage, and sustainable computational costs.
Authors: Junhyung Chang, Joshua Cape
Abstract: This paper studies fine-grained singular subspace estimation in the matrix denoising model where a deterministic low-rank signal matrix is additively perturbed by a stochastic matrix of Gaussian noise. We establish that the maximum Euclidean row norm (i.e., the two-to-infinity norm) of the aligned difference between the leading sample and population singular vectors approaches the Gumbel distribution in the large-matrix limit, under suitable signal-to-noise conditions and after appropriate centering and scaling. We apply our novel asymptotic distributional theory to test hypotheses of low-rank signal structure encoded in the leading singular vectors and their corresponding principal subspace. We provide de-biased estimators for the corresponding nuisance signal singular values and show that our proposed plug-in test statistic has desirable properties. Notably, compared to using the Frobenius norm subspace distance, our test statistic based on the two-to-infinity norm has higher power to detect structured alternatives that differ from the null in only a few matrix entries or rows. Our main results are obtained by a novel synthesis of and technical analysis involving entrywise matrix perturbation analysis, extreme value theory, saddle point approximation methods, and random matrix theory. Our contributions complement the existing literature for matrix denoising focused on minimaxity, mean squared error analysis, unitarily invariant distances between subspaces, component-wise asymptotic distributional theory, and row-wise uniform error bounds. Numerical simulations illustrate our main results and demonstrate the robustness properties of our testing procedure to non-Gaussian noise distributions.
Authors: Naoki Okami, Kazuki Miyake, Naohisa Sakamoto, Jorji Nonaka, Takanori Fujiwara
Abstract: Comparing tensors and identifying their (dis)similar structures is fundamental in understanding the underlying phenomena for complex data. Tensor decomposition methods help analysts extract tensors' essential characteristics and aid in visual analytics for tensors. In contrast to dimensionality reduction (DR) methods designed only for analyzing a matrix (i.e., second-order tensor), existing tensor decomposition methods do not support flexible comparative analysis. To address this analysis limitation, we introduce a new tensor decomposition method, named tensor unified linear comparative analysis (TULCA), by extending its DR counterpart, ULCA, for tensor analysis. TULCA integrates discriminant analysis and contrastive learning schemes for tensor decomposition, enabling flexible comparison of tensors. We also introduce an effective method to visualize a core tensor extracted from TULCA into a set of 2D visualizations. We integrate TULCA's functionalities into a visual analytics interface to support analysts in interpreting and refining the TULCA results. We demonstrate the efficacy of TULCA and the visual analytics interface with computational evaluations and two case studies, including an analysis of log data collected from a supercomputer.
Authors: Hei Shing Cheung, Boya Zhang
Abstract: We present a lightweight latent diffusion model for vocal-conditioned musical accompaniment generation that addresses critical limitations in existing music AI systems. Our approach introduces a novel soft alignment attention mechanism that adaptively combines local and global temporal dependencies based on diffusion timesteps, enabling efficient capture of multi-scale musical structure. Operating in the compressed latent space of a pre-trained variational autoencoder, the model achieves a 220 times parameter reduction compared to state-of-the-art systems while delivering 52 times faster inference. Experimental evaluation demonstrates competitive performance with only 15M parameters, outperforming OpenAI Jukebox in production quality and content unity while maintaining reasonable musical coherence. The ultra-lightweight architecture enables real-time deployment on consumer hardware, making AI-assisted music creation accessible for interactive applications and resource-constrained environments.
Authors: Matin Aghaei, Mohammad Ali Alomrani, Yingxue Zhang, Mahdi Biparva
Abstract: Large language models (LLMs) are often credited with recent leaps in ObjectGoal Navigation, yet the extent to which they improve planning remains unclear. We revisit this question on the HM3D-v1 validation split. First, we strip InstructNav of its Dynamic Chain-of-Navigation prompt, open-vocabulary GLEE detector and Intuition saliency map, and replace them with a simple Distance-Weighted Frontier Explorer (DWFE). This geometry-only heuristic raises Success from 58.0% to 61.1% and lifts SPL from 20.9% to 36.0% over 2 000 validation episodes, outperforming all previous training-free baselines. Second, we add a lightweight language prior (SHF); on a 200-episode subset this yields a further +2% Success and +0.9% SPL while shortening paths by five steps on average. Qualitative trajectories confirm the trend: InstructNav back-tracks and times-out, DWFE reaches the goal after a few islands, and SHF follows an almost straight route. Our results indicate that frontier geometry, not emergent LLM reasoning, drives most reported gains, and suggest that metric-aware prompts or offline semantic graphs are necessary before attributing navigation success to "LLM intelligence."
Authors: James Taylor, Wolfgang Mack
Abstract: State-of-the-art audio classification often employs a zero-shot approach, which involves comparing audio embeddings with embeddings from text describing the respective audio class. These embeddings are usually generated by neural networks trained through contrastive learning to align audio and text representations. Identifying the optimal text description for an audio class is challenging, particularly when the class comprises a wide variety of sounds. This paper examines few-shot methods designed to improve classification accuracy beyond the zero-shot approach. Specifically, audio embeddings are grouped by class and processed to replace the inherently noisy text embeddings. Our results demonstrate that few-shot classification typically outperforms the zero-shot baseline.
Authors: Nouhaila Fraihi, Ouassim Karrakchou, Mounir Ghogho
Abstract: Accurate classification of respiratory sounds requires deep learning models that effectively capture fine-grained acoustic features and long-range temporal dependencies. Convolutional Neural Networks (CNNs) are well-suited for extracting local time-frequency patterns but are limited in modeling global context. In contrast, transformer-based models can capture long-range dependencies, albeit with higher computational demands. To address these limitations, we propose a compact CNN-Temporal Self-Attention (CNN-TSA) network that integrates lightweight self-attention into an efficient CNN backbone. Central to our approach is a Frequency Band Selection (FBS) module that suppresses noisy and non-informative frequency regions, substantially improving accuracy and reducing FLOPs by up to 50%. We also introduce age-specific models to enhance robustness across diverse patient groups. Evaluated on the SPRSound-2022/2023 and ICBHI-2017 lung sound datasets, CNN-TSA with FBS sets new benchmarks on SPRSound and achieves state-of-the-art performance on ICBHI, all with a significantly smaller computational footprint. Furthermore, integrating FBS into an existing transformer baseline yields a new record on ICBHI, confirming FBS as an effective drop-in enhancement. These results demonstrate that our framework enables reliable, real-time respiratory sound analysis suitable for deployment in resource-constrained settings.
Authors: Ran Tong, Lanruo Wang, Tong Wang, Wei Yan
Abstract: Predicting Parkinson's Disease (PD) progression is crucial, and voice biomarkers offer a non-invasive method for tracking symptom severity (UPDRS scores) through telemonitoring. Analyzing this longitudinal data is challenging due to within-subject correlations and complex, nonlinear patient-specific progression patterns. This study benchmarks LMMs against two advanced hybrid approaches: the Generalized Neural Network Mixed Model (GNMM) (Mandel 2021), which embeds a neural network within a GLMM structure, and the Neural Mixed Effects (NME) model (Wortwein 2023), allowing nonlinear subject-specific parameters throughout the network. Using the Oxford Parkinson's telemonitoring voice dataset, we evaluate these models' performance in predicting Total UPDRS to offer practical guidance for PD research and clinical applications.
Authors: Ran Xu, Yuchen Zhuang, Yue Yu, Haoyu Wang, Wenqi Shi, Carl Yang
Abstract: Retrieval-augmented generation (RAG) enhances large language models (LLMs) by integrating external knowledge retrieved at inference time. While RAG demonstrates strong performance on benchmarks largely derived from general-domain corpora like Wikipedia, its effectiveness under realistic, diverse retrieval scenarios remains underexplored. We evaluated RAG systems using MassiveDS, a large-scale datastore with mixture of knowledge, and identified critical limitations: retrieval mainly benefits smaller models, rerankers add minimal value, and no single retrieval source consistently excels. Moreover, current LLMs struggle to route queries across heterogeneous knowledge sources. These findings highlight the need for adaptive retrieval strategies before deploying RAG in real-world settings. Our code and data can be found at https://github.com/ritaranx/RAG_in_the_Wild.
Authors: Sarat Chandra Bobbili, Ujwal Dinesha, Dheeraj Narasimha, Srinivas Shakkottai
Abstract: Inference-time alignment enables large language models (LLMs) to generate outputs aligned with end-user preferences without further training. Recent post-training methods achieve this by using small guidance models to modify token generation during inference. These methods typically optimize a reward function KL-regularized by the original LLM taken as the reference policy. A critical limitation, however, is their dependence on a pre-trained reward model, which requires fitting to human preference feedback--a potentially unstable process. In contrast, we introduce PITA, a novel framework that integrates preference feedback directly into the LLM's token generation, eliminating the need for a reward model. PITA learns a small preference-based guidance policy to modify token probabilities at inference time without LLM fine-tuning, reducing computational cost and bypassing the pre-trained reward model dependency. The problem is framed as identifying an underlying preference distribution, solved through stochastic search and iterative refinement of the preference-based guidance model. We evaluate PITA across diverse tasks, including mathematical reasoning and sentiment classification, demonstrating its effectiveness in aligning LLM outputs with user preferences.
Authors: Shiyu Liu, Lianlei Shan
Abstract: Recent breakthroughs in Visual Language Models (VLMs) and Multimodal Large Language Models (MLLMs) have significantly advanced 3D scene perception towards language-driven cognition. However, existing 3D language models struggle with sparse, large-scale point clouds due to slow feature extraction and limited representation accuracy. To address these challenges, we propose NeuroVoxel-LM, a novel framework that integrates Neural Radiance Fields (NeRF) with dynamic resolution voxelization and lightweight meta-embedding. Specifically, we introduce a Dynamic Resolution Multiscale Voxelization (DR-MSV) technique that adaptively adjusts voxel granularity based on geometric and structural complexity, reducing computational cost while preserving reconstruction fidelity. In addition, we propose the Token-level Adaptive Pooling for Lightweight Meta-Embedding (TAP-LME) mechanism, which enhances semantic representation through attention-based weighting and residual fusion. Experimental results demonstrate that DR-MSV significantly improves point cloud feature extraction efficiency and accuracy, while TAP-LME outperforms conventional max-pooling in capturing fine-grained semantics from NeRF weights.
Authors: Anas Mohamed, Azal Ahmad Khan, Xinran Wang, Ahmad Faraz Khan, Shuwen Ge, Saman Bahzad Khan, Ayaan Ahmad, Ali Anwar
Abstract: Generative AI can now synthesize strikingly realistic images from text, yet output quality remains highly sensitive to how prompts are phrased. Direct Preference Optimization (DPO) offers a lightweight, off-policy alternative to RL for automatic prompt engineering, but its token-level regularization leaves semantic inconsistency unchecked as prompts that win higher preference scores can still drift away from the user's intended meaning. We introduce Sem-DPO, a variant of DPO that preserves semantic consistency yet retains its simplicity and efficiency. Sem-DPO adjusts the DPO loss using a weight based on how different the winning prompt is from the original, reducing the impact of training examples that are semantically misaligned. We provide the first analytical bound on semantic drift for preference-tuned prompt generators, showing that Sem-DPO keeps learned prompts within a provably bounded neighborhood of the original text. On three standard text-to-image prompt-optimization benchmarks and two language models, Sem-DPO achieves 8-12% higher CLIP similarity and 5-9% higher human-preference scores (HPSv2.1, PickScore) than DPO, while also outperforming state-of-the-art baselines. These findings suggest that strong flat baselines augmented with semantic weighting should become the new standard for prompt-optimization studies and lay the groundwork for broader, semantics-aware preference optimization in language models.
Authors: Xingcheng Xu
Abstract: Reinforcement learning (RL) plays a crucial role in shaping the behavior of large language and reasoning models (LLMs/LRMs). However, it often produces brittle and unstable policies, leading to critical failures such as spurious reasoning, deceptive alignment, and instruction disobedience that undermine the trustworthiness and safety of LLMs/LRMs. Currently, these issues lack a unified theoretical explanation and are typically addressed using ad-hoc heuristics. This paper presents a rigorous mathematical framework for analyzing the stability of the mapping from a reward function to the optimal policy. We show that policy brittleness often stems from non-unique optimal actions, a common occurrence when multiple valid traces exist in a reasoning task. This theoretical lens provides a unified explanation for a range of seemingly disparate failures, reframing them as rational outcomes of optimizing rewards that may be incomplete or noisy, especially in the presence of action degeneracy. We extend this analysis from the fundamental single-reward setting to the more realistic multi-reward RL across diverse domains, showing how stability is governed by an "effective reward" aggregation mechanism. We also prove that entropy regularization restores policy stability at the cost of increased stochasticity. Our framework provides a unified explanation for recent empirical findings on deceptive reasoning, instruction-following trade-offs, and RLHF-induced sophistry, and is further validated through perturbation experiments in multi-reward RL. This work advances policy-stability analysis from empirical heuristics towards a principled theory, offering essential insights for designing safer and more trustworthy AI systems.
Authors: Yuval Dishi, Ophir Friedler, Yonatan Karni, Natalia Silberstein, Yulia Stolin
Abstract: We present a Multi-Task Learning (MTL) approach for improving predictions for rare (e.g., <1%) conversion events in online advertising. The conversions are classified into "rare" or "frequent" types based on historical statistics. The model learns shared representations across all signals while specializing through separate task towers for each type. The approach was tested and fully deployed to production, demonstrating consistent improvements in both offline (0.69% AUC lift) and online KPI performance metric (2% Cost per Action reduction).
Authors: Chengkai Wang, Di Wu, Yunsheng Liao, Wenyao Zheng, Ziyi Zeng, Xurong Gao, Hemmings Wu, Zhoule Zhu, Jie Yang, Lihua Zhong, Weiwei Cheng, Yun-Hsuan Chen, Mohamad Sawan
Abstract: Methamphetamine dependence poses a significant global health challenge, yet its assessment and the evaluation of treatments like repetitive transcranial magnetic stimulation (rTMS) frequently depend on subjective self-reports, which may introduce uncertainties. While objective neuroimaging modalities such as electroencephalography (EEG) and functional near-infrared spectroscopy (fNIRS) offer alternatives, their individual limitations and the reliance on conventional, often hand-crafted, feature extraction can compromise the reliability of derived biomarkers. To overcome these limitations, we propose NeuroCLIP, a novel deep learning framework integrating simultaneously recorded EEG and fNIRS data through a progressive learning strategy. This approach offers a robust and trustworthy biomarker for methamphetamine addiction. Validation experiments show that NeuroCLIP significantly improves discriminative capabilities among the methamphetamine-dependent individuals and healthy controls compared to models using either EEG or only fNIRS alone. Furthermore, the proposed framework facilitates objective, brain-based evaluation of rTMS treatment efficacy, demonstrating measurable shifts in neural patterns towards healthy control profiles after treatment. Critically, we establish the trustworthiness of the multimodal data-driven biomarker by showing its strong correlation with psychometrically validated craving scores. These findings suggest that biomarker derived from EEG-fNIRS data via NeuroCLIP offers enhanced robustness and reliability over single-modality approaches, providing a valuable tool for addiction neuroscience research and potentially improving clinical assessments.
Authors: Yooshin Cho, Hanbyel Cho, Janghyeon Lee, HyeongGwon Hong, Jaesung Ahn, Junmo Kim
Abstract: As the use of artificial intelligence rapidly increases, the development of trustworthy artificial intelligence has become important. However, recent studies have shown that deep neural networks are susceptible to learn spurious correlations present in datasets. To improve the reliability, we propose a simple yet effective framework called controllable feature whitening. We quantify the linear correlation between the target and bias features by the covariance matrix, and eliminate it through the whitening module. Our results systemically demonstrate that removing the linear correlations between features fed into the last linear classifier significantly mitigates the bias, while avoiding the need to model intractable higher-order dependencies. A particular advantage of the proposed method is that it does not require regularization terms or adversarial learning, which often leads to unstable optimization in practice. Furthermore, we show that two fairness criteria, demographic parity and equalized odds, can be effectively handled by whitening with the re-weighted covariance matrix. Consequently, our method controls the trade-off between the utility and fairness of algorithms by adjusting the weighting coefficient. Finally, we validate that our method outperforms existing approaches on four benchmark datasets: Corrupted CIFAR-10, Biased FFHQ, WaterBirds, and Celeb-A.
Authors: Tatsuro Hanyu, Takahiro Katagiri, Daichi Mukunoki, Tetsuya Hoshino
Abstract: Coherent Ising Machines (CIMs) have recently gained attention as a promising computing model for solving combinatorial optimization problems. In particular, the Chaotic Amplitude Control (CAC) algorithm has demonstrated high solution quality, but its performance is highly sensitive to a large number of hyperparameters, making efficient tuning essential. In this study, we present an algorithm portfolio approach for hyperparameter tuning in CIMs employing Chaotic Amplitude Control with momentum (CACm) algorithm. Our method incorporates multiple search strategies, enabling flexible and effective adaptation to the characteristics of the hyperparameter space. Specifically, we propose two representative tuning methods, Method A and Method B. Method A optimizes each hyperparameter sequentially with a fixed total number of trials, while Method B prioritizes hyperparameters based on initial evaluations before applying Method A in order. Performance evaluations were conducted on the Supercomputer "Flow" at Nagoya University, using planted Wishart instances and Time to Solution (TTS) as the evaluation metric. Compared to the baseline performance with best-known hyperparameters, Method A achieved up to 1.47x improvement, and Method B achieved up to 1.65x improvement. These results demonstrate the effectiveness of the algorithm portfolio approach in enhancing the tuning process for CIMs.
Authors: Jonas H. M\"uller Kornd\"orfer, Ali Mohammed, Ahmed Eleliemy, Quentin Guilloteau, Reto Krummenacher, Florina M. Ciorba
Abstract: Scientific and data science applications are becoming increasingly complex, with growing computational and memory demands. Modern high performance computing (HPC) systems provide high parallelism and heterogeneity across nodes, devices, and cores. To achieve good performance, effective scheduling and load balancing techniques are essential. Parallel programming frameworks such as OpenMP now offer a variety of advanced scheduling algorithms to support diverse applications and platforms. This creates an instance of the scheduling algorithm selection problem, which involves identifying the most suitable algorithm for a given combination of workload and system characteristics. In this work, we explore learning-based approaches for selecting scheduling algorithms in OpenMP. We propose and evaluate expert-based and reinforcement learning (RL)-based methods, and conduct a detailed performance analysis across six applications and three systems. Our results show that RL methods are capable of learning high-performing scheduling decisions, although they require significant exploration, with the choice of reward function playing a key role. Expert-based methods, in contrast, rely on prior knowledge and involve less exploration, though they may not always identify the optimal algorithm for a specific application-system pair. By combining expert knowledge with RL-based learning, we achieve improved performance and greater adaptability. Overall, this work demonstrates that dynamic selection of scheduling algorithms during execution is both viable and beneficial for OpenMP applications. The approach can also be extended to MPI-based programs, enabling optimization of scheduling decisions across multiple levels of parallelism.
Authors: Rachel S. Y. Teo, Laziz U. Abdullaev, Tan M. Nguyen
Abstract: The focus on safety alignment in large language models (LLMs) has increased significantly due to their widespread adoption across different domains. The scale of LLMs play a contributing role in their success, and the growth in parameter count follows larger hidden dimensions. In this paper, we hypothesize that while the increase in dimensions has been a key advantage, it may lead to emergent problems as well. These problems emerge as the linear structures in the activation space can be exploited, in the form of activation engineering, to circumvent its safety alignment. Through detailed visualizations of linear subspaces associated with different concepts, such as safety, across various model scales, we show that the curse of high-dimensional representations uniquely impacts LLMs. Further substantiating our claim, we demonstrate that projecting the representations of the model onto a lower dimensional subspace can preserve sufficient information for alignment while avoiding those linear structures. Empirical results confirm that such dimensional reduction significantly reduces susceptibility to jailbreaking through representation engineering. Building on our empirical validations, we provide theoretical insights into these linear jailbreaking methods relative to a model's hidden dimensions. Broadly speaking, our work posits that the high dimensions of a model's internal representations can be both a blessing and a curse in safety alignment.
Authors: Qian Qi
Abstract: The canonical theory of stochastic calculus under ambiguity, founded on sub-additivity, is insensitive to non-convex uncertainty structures, leading to an identifiability impasse. This paper develops a mathematical framework for an identifiable calculus sensitive to non-convex geometry. We introduce the $\theta$-BSDE, a class of backward stochastic differential equations where the driver is determined by a pointwise maximization over a primitive, possibly non-convex, uncertainty set. The system's tractability is predicated not on convexity, but on a global analytic hypothesis: the existence of a unique and globally Lipschitz maximizer map for the driver function. Under this hypothesis, which carves out a tractable class of models, we establish well-posedness via a fixed-point argument. For a distinct, geometrically regular class of models, we prove a result of independent interest: under non-degeneracy conditions from Malliavin calculus, the maximizer is unique along any solution path, ensuring the model's internal consistency. We clarify the fundamental logical gap between this pathwise property and the global regularity required by our existence proof. The resulting valuation operator defines a dynamically consistent expectation, and we establish its connection to fully nonlinear PDEs via a Feynman-Kac formula.
Authors: Yuyou Zhang, Radu Corcodel, Ding Zhao
Abstract: Loco-manipulation of quadrupedal robots has broadened robotic applications, but using legs as manipulators often compromises locomotion, while mounting arms complicates the system. To mitigate this issue, we introduce bipedalism for quadrupedal robots, thus freeing the front legs for versatile interactions with the environment. We propose a risk-adaptive distributional Reinforcement Learning (RL) framework designed for quadrupedal robots walking on their hind legs, balancing worst-case conservativeness with optimal performance in this inherently unstable task. During training, the adaptive risk preference is dynamically adjusted based on the uncertainty of the return, measured by the coefficient of variation of the estimated return distribution. Extensive experiments in simulation show our method's superior performance over baselines. Real-world deployment on a Unitree Go2 robot further demonstrates the versatility of our policy, enabling tasks like cart pushing, obstacle probing, and payload transport, while showcasing robustness against challenging dynamics and external disturbances.
Authors: Federico Echenique, Alireza Fallah, Michael I. Jordan
Abstract: We propose a general methodology for recovering preference parameters from data on choices and response times. Our methods yield estimates with fast ($1/n$ for $n$ data points) convergence rates when specialized to the popular Drift Diffusion Model (DDM), but are broadly applicable to generalizations of the DDM as well as to alternative models of decision making that make use of response time data. The paper develops an empirical application to an experiment on intertemporal choice, showing that the use of response times delivers predictive accuracy and matters for the estimation of economically relevant parameters.
Authors: Khloud AL Jallad, Nada Ghneim, Ghaida Rebdawi
Abstract: Natural Language Understanding (NLU) is a basic task in Natural Language Processing (NLP). The evaluation of NLU capabilities has become a trending research topic that attracts researchers in the last few years, resulting in the development of numerous benchmarks. These benchmarks include various tasks and datasets in order to evaluate the results of pretrained models via public leaderboards. Notably, several benchmarks contain diagnostics datasets designed for investigation and fine-grained error analysis across a wide range of linguistic phenomena. This survey provides a comprehensive review of available English, Arabic, and Multilingual NLU benchmarks, with a particular emphasis on their diagnostics datasets and the linguistic phenomena they covered. We present a detailed comparison and analysis of these benchmarks, highlighting their strengths and limitations in evaluating NLU tasks and providing in-depth error analysis. When highlighting the gaps in the state-of-the-art, we noted that there is no naming convention for macro and micro categories or even a standard set of linguistic phenomena that should be covered. Consequently, we formulated a research question regarding the evaluation metrics of the evaluation diagnostics benchmarks: "Why do not we have an evaluation standard for the NLU evaluation diagnostics benchmarks?" similar to ISO standard in industry. We conducted a deep analysis and comparisons of the covered linguistic phenomena in order to support experts in building a global hierarchy for linguistic phenomena in future. We think that having evaluation metrics for diagnostics evaluation could be valuable to gain more insights when comparing the results of the studied models on different diagnostics benchmarks.
Authors: Zhuokun Chen, Jugang Fan, Zhuowei Yu, Bohan Zhuang, Mingkui Tan
Abstract: Visual autoregressive modeling, based on the next-scale prediction paradigm, exhibits notable advantages in image quality and model scalability over traditional autoregressive and diffusion models. It generates images by progressively refining resolution across multiple stages. However, the computational overhead in high-resolution stages remains a critical challenge due to the substantial number of tokens involved. In this paper, we introduce SparseVAR, a plug-and-play acceleration framework for next-scale prediction that dynamically excludes low-frequency tokens during inference without requiring additional training. Our approach is motivated by the observation that tokens in low-frequency regions have a negligible impact on image quality in high-resolution stages and exhibit strong similarity with neighboring tokens. Additionally, we observe that different blocks in the next-scale prediction model focus on distinct regions, with some concentrating on high-frequency areas. SparseVAR leverages these insights by employing lightweight MSE-based metrics to identify low-frequency tokens while preserving the fidelity of excluded regions through a small set of uniformly sampled anchor tokens. By significantly reducing the computational cost while maintaining high image generation quality, SparseVAR achieves notable acceleration in both HART and Infinity. Specifically, SparseVAR achieves up to a 2 times speedup with minimal quality degradation in Infinity-2B.
Authors: Paul Schwerdtner, Prakash Mohan, Julie Bessac, Marc T. Henry de Frahan, Benjamin Peherstorfer
Abstract: Quadratic manifolds for nonintrusive reduced modeling are typically trained to minimize the reconstruction error on snapshot data, which means that the error of models fitted to the embedded data in downstream learning steps is ignored. In contrast, we propose a greedy training procedure that takes into account both the reconstruction error on the snapshot data and the prediction error of reduced models fitted to the data. Because our procedure learns quadratic manifolds with the objective of achieving accurate reduced models, it avoids oscillatory and other non-smooth embeddings that can hinder learning accurate reduced models. Numerical experiments on transport and turbulent flow problems show that quadratic manifolds trained with the proposed greedy approach lead to reduced models with up to two orders of magnitude higher accuracy than quadratic manifolds trained with respect to the reconstruction error alone.
Authors: Antonino Castelli, Paolo Giudici, Alessandro Piergallini
Abstract: The rapid growth of crypto markets has opened new opportunities for investors, but at the same time exposed them to high volatility. To address the challenge of managing dynamic portfolios in such an environment, this paper presents a practical application of a multi-agent system designed to autonomously construct and evaluate crypto-asset allocations. Using data on daily frequencies of the ten most capitalized cryptocurrencies from 2020 to 2025, we compare two automated investment strategies. These are a static equal weighting strategy and a rolling-window optimization strategy, both implemented to maximize the evaluation metrics of the Modern Portfolio Theory (MPT), such as Expected Return, Sharpe and Sortino ratios, while minimizing volatility. Each step of the process is handled by dedicated agents, integrated through a collaborative architecture in Crew AI. The results show that the dynamic optimization strategy achieves significantly better performance in terms of risk-adjusted returns, both in-sample and out-of-sample. This highlights the benefits of adaptive techniques in portfolio management, particularly in volatile markets such as cryptocurrency markets. The following methodology proposed also demonstrates how multi-agent systems can provide scalable, auditable, and flexible solutions in financial automation.
Authors: Siyi Wu, Zhaoyang Guan, Leyi Zhao, Xinyuan Song, Xinyu Ying, Hanlin Zhang, Michele Pak, Yangfan He, Yi Xin, Jianhui Wang, Tianyu Shi
Abstract: Cryptocurrency trading is a challenging task requiring the integration of heterogeneous data from multiple modalities. Traditional deep learning and reinforcement learning approaches typically demand large training datasets and encode diverse inputs into numerical representations, often at the cost of interpretability. Recent progress in large language model (LLM)-based agents has demonstrated the capacity to process multi-modal data and support complex investment decision-making. Building on these advances, we present \textbf{MountainLion}, a multi-modal, multi-agent system for financial trading that coordinates specialized LLM-based agents to interpret financial data and generate investment strategies. MountainLion processes textual news, candlestick charts, and trading signal charts to produce high-quality financial reports, while also enabling modification of reports and investment recommendations through data-driven user interaction and question answering. A central reflection module analyzes historical trading signals and outcomes to continuously refine decision processes, and the system is capable of real-time report analysis, summarization, and dynamic adjustment of investment strategies. Empirical results confirm that MountainLion systematically enriches technical price triggers with contextual macroeconomic and capital flow signals, providing a more interpretable, robust, and actionable investment framework that improves returns and strengthens investor confidence.
Authors: Dhanashekar Kandaswamy, Ashutosh Sahoo, Akshay SP, Gurukiran S, Parag Paul, Girish G N
Abstract: As decentralized finance (DeFi) evolves, distinguishing between user behaviors - liquidity provision versus active trading - has become vital for risk modeling and on-chain reputation. We propose a behavioral scoring framework for Uniswap that assigns two complementary scores: a Liquidity Provision Score that assesses strategic liquidity contributions, and a Swap Behavior Score that reflects trading intent, volatility exposure, and discipline. The scores are constructed using rule-based blueprints that decompose behavior into volume, frequency, holding time, and withdrawal patterns. To handle edge cases and learn feature interactions, we introduce a deep residual neural network with densely connected skip blocks inspired by the U-Net architecture. We also incorporate pool-level context such as total value locked (TVL), fee tiers, and pool size, allowing the system to differentiate similar user behaviors across pools with varying characteristics. Our framework enables context-aware and scalable DeFi user scoring, supporting improved risk assessment and incentive design. Experiments on Uniswap v3 data show its usefulness for user segmentation and protocol-aligned reputation systems. Although we refer to our metric as zScore, it is independently developed and methodologically different from the cross-protocol system proposed by Udupi et al. Our focus is on role-specific behavioral modeling within Uniswap using blueprint logic and supervised learning.
Authors: Praneeth Narisetty, Uday Kumar Reddy Kattamanchi, Lohit Akshant Nimma, Sri Ram Kaushik Karnati, Shiva Nagendra Babu Kore, Mounika Golamari, Tejashree Nageshreddy
Abstract: Aquaculture plays a vital role in global food security and coastal economies by providing sustainable protein sources. As the industry expands to meet rising demand, it faces growing challenges such as disease outbreaks, inefficient feeding practices, rising labor costs, logistical inefficiencies, and critical hatchery issues, including high mortality rates and poor water quality control. Although artificial intelligence has made significant progress, existing machine learning methods fall short of addressing the domain-specific complexities of aquaculture. To bridge this gap, we introduce AQUA, the first large language model (LLM) tailored for aquaculture, designed to support farmers, researchers, and industry practitioners. Central to this effort is AQUADAPT (Data Acquisition, Processing and Tuning), an Agentic Framework for generating and refining high-quality synthetic data using a combination of expert knowledge, largescale language models, and automated evaluation techniques. Our work lays the foundation for LLM-driven innovations in aquaculture research, advisory systems, and decision-making tools.
Authors: Xintao Xia, Linjun Zhang, Zhanrui Cai
Abstract: Privacy preservation in machine learning, particularly through Differentially Private Stochastic Gradient Descent (DP-SGD), is critical for sensitive data analysis. However, existing statistical inference methods for SGD predominantly focus on cyclic subsampling, while DP-SGD requires randomized subsampling. This paper first bridges this gap by establishing the asymptotic properties of SGD under the randomized rule and extending these results to DP-SGD. For the output of DP-SGD, we show that the asymptotic variance decomposes into statistical, sampling, and privacy-induced components. Two methods are proposed for constructing valid confidence intervals: the plug-in method and the random scaling method. We also perform extensive numerical analysis, which shows that the proposed confidence intervals achieve nominal coverage rates while maintaining privacy.
Authors: Frank Nielsen
Abstract: Artstein-Avidan and Milman [Annals of mathematics (2009), (169):661-674] characterized invertible reverse-ordering transforms on the space of lower-semi-continuous extended real-valued convex functions as affine deformations of the ordinary Legendre transform. In this note, we prove that all those generalized Legendre transforms on functions correspond to the ordinary Legendre transform on dually corresponding affine-deformed functions. That is, generalized convex conjugates are convex conjugates of affine-deformed functions. We conclude this note by sketching how this result can be interpreted from the lens of information geometry.
Authors: Mikkel Sch\"ottner Sieler, Thomas A. W. Bolton, Jagruti Patel, Patric Hagmann
Abstract: Predicting behavioral variables from neuroimaging modalities such as magnetic resonance imaging (MRI) has the potential to allow the development of neuroimaging biomarkers of mental and neurological disorders. A crucial processing step to this aim is the extraction of suitable features. These can differ in how well they predict the target of interest, and how this prediction scales with sample size and scan time. Here, we compare nine feature subtypes extracted from resting-state functional MRI recordings for behavior prediction, ranging from regional measures of functional activity to functional connectivity (FC) and metrics derived with graph signal processing (GSP), a principled approach for the extraction of structure-informed functional features. We study 979 subjects from the Human Connectome Project Young Adult dataset, predicting summary scores for mental health, cognition, processing speed, and substance use, as well as age and sex. The scaling properties of the features are investigated for different combinations of sample size and scan time. FC comes out as the best feature for predicting cognition, age, and sex. Graph power spectral density is the second best for predicting cognition and age, while for sex, variability-based features show potential as well. When predicting sex, the low-pass graph filtered coupled FC slightly outperforms the simple FC variant. None of the other targets were predicted significantly. The scaling results point to higher performance reserves for the better-performing features. They also indicate that it is important to balance sample size and scan time when acquiring data for prediction studies. The results confirm FC as a robust feature for behavior prediction, but also show the potential of GSP and variability-based measures. We discuss the implications for future prediction studies in terms of strategies for acquisition and sample composition.
Authors: Te Zhang, Yuheng Li, Junxiang Wang, Lujun Li
Abstract: Large multimodal models (LMMs) have advanced significantly by integrating visual encoders with extensive language models, enabling robust reasoning capabilities. However, compressing LMMs for deployment on edge devices remains a critical challenge. In this work, we propose an adaptive search algorithm that optimizes sparsity and KV cache compression to enhance LMM efficiency. Utilizing the Tree-structured Parzen Estimator, our method dynamically adjusts pruning ratios and KV cache quantization bandwidth across different LMM layers, using model performance as the optimization objective. This approach uniquely combines pruning with key-value cache quantization and incorporates a fast pruning technique that eliminates the need for additional fine-tuning or weight adjustments, achieving efficient compression without compromising accuracy. Comprehensive evaluations on benchmark datasets, including LLaVA-1.5 7B and 13B, demonstrate our method superiority over state-of-the-art techniques such as SparseGPT and Wanda across various compression levels. Notably, our framework automatic allocation of KV cache compression resources sets a new standard in LMM optimization, delivering memory efficiency without sacrificing much performance.
Authors: Jesco Talies, Eric Breitbarth, David Melching
Abstract: Ensuring the trustworthiness and robustness of deep learning models remains a fundamental challenge, particularly in high-stakes scientific applications. In this study, we present a framework called attention-guided training that combines explainable artificial intelligence techniques with quantitative evaluation and domain-specific priors to guide model attention. We demonstrate that domain specific feedback on model explanations during training can enhance the model's generalization capabilities. We validate our approach on the task of semantic crack tip segmentation in digital image correlation data which is a key application in the fracture mechanical characterization of materials. By aligning model attention with physically meaningful stress fields, such as those described by Williams' analytical solution, attention-guided training ensures that the model focuses on physically relevant regions. This finally leads to improved generalization and more faithful explanations.
Authors: Harsh Purohit, Tomoya Nishida, Kota Dohi, Takashi Endo, Yohei Kawaguchi
Abstract: This paper proposes a method for generating machine-type-specific anomalies to evaluate the relative performance of unsupervised anomalous sound detection (UASD) systems across different machine types, even in the absence of real anomaly sound data. Conventional keyword-based data augmentation methods often produce unrealistic sounds due to their reliance on manually defined labels, limiting scalability as machine types and anomaly patterns diversify. Advanced audio generative models, such as MIMII-Gen, show promise but typically depend on anomalous training data, making them less effective when diverse anomalous examples are unavailable. To address these limitations, we propose a novel synthesis approach leveraging large language models (LLMs) to interpret textual descriptions of faults and automatically select audio transformation functions, converting normal machine sounds into diverse and plausible anomalous sounds. We validate this approach by evaluating a UASD system trained only on normal sounds from five machine types, using both real and synthetic anomaly data. Experimental results reveal consistent trends in relative detection difficulty across machine types between synthetic and real anomalies. This finding supports our hypothesis and highlights the effectiveness of the proposed LLM-based synthesis approach for relative evaluation of UASD systems.
Authors: Jonas Peche, Aliaksei Tsishurou, Alexander Zap, Guenter Wallner
Abstract: Understanding and predicting player movement in multiplayer games is crucial for achieving use cases such as player-mimicking bot navigation, preemptive bot control, strategy recommendation, and real-time player behavior analytics. However, the complex environments allow for a high degree of navigational freedom, and the interactions and team-play between players require models that make effective use of the available heterogeneous input data. This paper presents a multimodal architecture for predicting future player locations on a dynamic time horizon, using a U-Net-based approach for calculating endpoint location probability heatmaps, conditioned using a multimodal feature encoder. The application of a multi-head attention mechanism for different groups of features allows for communication between agents. In doing so, the architecture makes efficient use of the multimodal game state including image inputs, numerical and categorical features, as well as dynamic game data. Consequently, the presented technique lays the foundation for various downstream tasks that rely on future player positions such as the creation of player-predictive bot behavior or player anomaly detection.
Authors: Andr\'es Holgado-S\'anchez, Holger Billhardt, Sascha Ossowski, Sara Degli-Esposti
Abstract: Aligning AI systems with human values and the value-based preferences of various stakeholders (their value systems) is key in ethical AI. In value-aware AI systems, decision-making draws upon explicit computational representations of individual values (groundings) and their aggregation into value systems. As these are notoriously difficult to elicit and calibrate manually, value learning approaches aim to automatically derive computational models of an agent's values and value system from demonstrations of human behaviour. Nonetheless, social science and humanities literature suggest that it is more adequate to conceive the value system of a society as a set of value systems of different groups, rather than as the simple aggregation of individual value systems. Accordingly, here we formalize the problem of learning the value systems of societies and propose a method to address it based on heuristic deep clustering. The method learns socially shared value groundings and a set of diverse value systems representing a given society by observing qualitative value-based preferences from a sample of agents. We evaluate the proposal in a use case with real data about travelling decisions.
Authors: Carlo Alfano, Aymen Al Marjani, Zeno Jonke, Amin Mantrach, Saab Mansour, Marcello Federico
Abstract: The growing use of large language models (LLMs) has increased the need for automatic evaluation systems, particularly to address the challenge of information hallucination. Although existing faithfulness evaluation approaches have shown promise, they are predominantly English-focused and often require expensive human-labeled training data for fine-tuning specialized models. As LLMs see increased adoption in multilingual contexts, there is a need for accurate faithfulness evaluators that can operate across languages without extensive labeled data. This paper presents Self-Taught Evaluators for Multilingual Faithfulness, a framework that learns exclusively from synthetic multilingual summarization data while leveraging cross-lingual transfer learning. Through experiments comparing language-specific and mixed-language fine-tuning approaches, we demonstrate a consistent relationship between an LLM's general language capabilities and its performance in language-specific evaluation tasks. Our framework shows improvements over existing baselines, including state-of-the-art English evaluators and machine translation-based approaches.
Authors: Yunus Lutz, Timo Wilm, Philipp Duwe
Abstract: In e-commerce recommender and search systems, tree-based models, such as LambdaMART, have set a strong baseline for Learning-to-Rank (LTR) tasks. Despite their effectiveness and widespread adoption in industry, the debate continues whether deep neural networks (DNNs) can outperform traditional tree-based models in this domain. To contribute to this discussion, we systematically benchmark DNNs against our production-grade LambdaMART model. We evaluate multiple DNN architectures and loss functions on a proprietary dataset from OTTO and validate our findings through an 8-week online A/B test. The results show that a simple DNN architecture outperforms a strong tree-based baseline in terms of total clicks and revenue, while achieving parity in total units sold.
Authors: Wei Lu, Daniel L. Chen, Christian B. Hansen
Abstract: Understanding how large language model (LLM) agents behave in strategic interactions is essential as these systems increasingly participate autonomously in economically and morally consequential decisions. We evaluate LLM preferences using canonical economic games, finding substantial deviations from human behavior. Models like GPT-4o show excessive cooperation and limited incentive sensitivity, while reasoning models, such as o3-mini, align more consistently with payoff-maximizing strategies. We propose a supervised fine-tuning pipeline that uses synthetic datasets derived from economic reasoning to align LLM agents with economic preferences, focusing on two stylized preference structures. In the first, utility depends only on individual payoffs (homo economicus), while utility also depends on a notion of Kantian universalizability in the second preference structure (homo moralis). We find that fine-tuning based on small datasets shifts LLM agent behavior toward the corresponding economic agent. We further assess the fine-tuned agents' behavior in two applications: Moral dilemmas involving autonomous vehicles and algorithmic pricing in competitive markets. These examples illustrate how different normative objectives embedded via realizations from structured preference structures can influence market and moral outcomes. This work contributes a replicable, cost-efficient, and economically grounded pipeline to align AI preferences using moral-economic principles.
Authors: Seoyoung Doh, Hyeon Jeon, Sungbok Shin, Ghulam Jilani Quadri, Nam Wook Kim, Jinwook Seo
Abstract: Selecting the dimensionality reduction technique that faithfully represents the structure is essential for reliable visual communication and analytics. In reality, however, practitioners favor projections for other attractions, such as aesthetics and visual saliency, over the projection's structural faithfulness, a bias we define as visual interestingness. In this research, we conduct a user study that (1) verifies the existence of such bias and (2) explains why the bias exists. Our study suggests that visual interestingness biases practitioners' preferences when selecting projections for analysis, and this bias intensifies with color-encoded labels and shorter exposure time. Based on our findings, we discuss strategies to mitigate bias in perceiving and interpreting DR projections.
Authors: Kaichen Ouyang
Abstract: This paper preliminarily investigates the duality between flow matching in generative models and particle swarm optimization (PSO) in evolutionary computation. Through theoretical analysis, we reveal the intrinsic connections between these two approaches in terms of their mathematical formulations and optimization mechanisms: the vector field learning in flow matching shares similar mathematical expressions with the velocity update rules in PSO; both methods follow the fundamental framework of progressive evolution from initial to target distributions; and both can be formulated as dynamical systems governed by ordinary differential equations. Our study demonstrates that flow matching can be viewed as a continuous generalization of PSO, while PSO provides a discrete implementation of swarm intelligence principles. This duality understanding establishes a theoretical foundation for developing novel hybrid algorithms and creates a unified framework for analyzing both methods. Although this paper only presents preliminary discussions, the revealed correspondences suggest several promising research directions, including improving swarm intelligence algorithms based on flow matching principles and enhancing generative models using swarm intelligence concepts.
Authors: Wenxuan Ye, Xueli An, Junfan Wang, Xueqiang Yan, Georg Carle
Abstract: Native AI support is a key objective in the evolution of 6G networks, with Federated Learning (FL) emerging as a promising paradigm. FL allows decentralized clients to collaboratively train an AI model without directly sharing their data, preserving privacy. Clients train local models on private data and share model updates, which a central server aggregates to refine the global model and redistribute it for the next iteration. However, client data heterogeneity slows convergence and reduces model accuracy, and frequent client participation imposes communication and computational burdens. To address these challenges, we propose \textit{FedABC}, an innovative client selection algorithm designed to take a long-term view in managing data heterogeneity and optimizing client participation. Inspired by attention mechanisms, \textit{FedABC} prioritizes informative clients by evaluating both model similarity and each model's unique contributions to the global model. Moreover, considering the evolving demands of the global model, we formulate an optimization problem to guide \textit{FedABC} throughout the training process. Following the ``later-is-better" principle, \textit{FedABC} adaptively adjusts the client selection threshold, encouraging greater participation in later training stages. Extensive simulations on CIFAR-10 demonstrate that \textit{FedABC} significantly outperforms existing approaches in model accuracy and client participation efficiency, achieving comparable performance with 32\% fewer clients than the classical FL algorithm \textit{FedAvg}, and 3.5\% higher accuracy with 2\% fewer clients than the state-of-the-art. This work marks a step toward deploying FL in heterogeneous, resource-constrained environments, thereby supporting native AI capabilities in 6G networks.
Authors: Ahmed Sharshar, Yasser Ashraf, Tameem Bakr, Salma Hassan, Hosam Elgendy, Mohammad Yaqub, Mohsen Guizani
Abstract: Alzheimer's disease affects over 55 million people worldwide and is projected to more than double by 2050, necessitating rapid, accurate, and scalable diagnostics. However, existing approaches are limited because they cannot achieve clinically acceptable accuracy, generalization across datasets, robustness to missing modalities, and explainability all at the same time. This inability to satisfy all these requirements simultaneously undermines their reliability in clinical settings. We propose OmniBrain, a multimodal framework that integrates brain MRI, radiomics, gene expression, and clinical data using a unified model with cross-attention and modality dropout. OmniBrain achieves $92.2 \pm 2.4\%$accuracy on the ANMerge dataset and generalizes to the MRI-only ADNI dataset with $70.4 \pm 2.7\%$ accuracy, outperforming unimodal and prior multimodal approaches. Explainability analyses highlight neuropathologically relevant brain regions and genes, enhancing clinical trust. OmniBrain offers a robust, interpretable, and practical solution for real-world Alzheimer's diagnosis.
Authors: Song Son Ha, Florian Foerster, Thomas Robert Doebbert, Tim Kittel, Dominik Merli, Gerd Scholl
Abstract: In the era of Industry 4.0, the growing need for secure and efficient communication systems has driven the development of fifth-generation (5G) networks characterized by extremely low latency, massive device connectivity and high data transfer speeds. However, the deployment of 5G networks presents significant security challenges, requiring advanced and robust solutions to counter increasingly sophisticated cyber threats. This paper proposes a testbed and software architecture to strengthen the security of Private 5G Networks, particularly in industrial communication environments.
Authors: Likun Tan, Kuan-Wei Huang, Kevin Wu
Abstract: Hallucinations in large language models pose a critical challenge for applications requiring factual reliability, particularly in high-stakes domains such as finance. This work presents an effective approach for detecting and editing factually incorrect content in model-generated responses based on the provided context. Given a user-defined domain-specific error taxonomy, we construct a synthetic dataset by inserting tagged errors into financial question-answering corpora and then fine-tune four language models, Phi-4, Phi-4-mini, Qwen3-4B, and Qwen3-14B, to detect and edit these factual inaccuracies. Our best-performing model, fine-tuned Phi-4, achieves an 8% improvement in binary F1 score and a 30% gain in overall detection performance compared to OpenAI-o3. Notably, our fine-tuned Phi-4-mini model, despite having only 4 billion parameters, maintains competitive performance with just a 2% drop in binary detection and a 0.1% decline in overall detection compared to OpenAI-o3. Our work provides a practical solution for detecting and editing factual inconsistencies in financial text generation while introducing a generalizable framework that can enhance the trustworthiness and alignment of large language models across diverse applications beyond finance. Our code and data are available at https://github.com/pegasi-ai/fine-grained-editting.
Authors: Sacha Braun, Eug\`ene Berta, Michael I. Jordan, Francis Bach
Abstract: While achieving exact conditional coverage in conformal prediction is unattainable without making strong, untestable regularity assumptions, the promise of conformal prediction hinges on finding approximations to conditional guarantees that are realizable in practice. A promising direction for obtaining conditional dependence for conformal sets--in particular capturing heteroskedasticity--is through estimating the conditional density $\mathbb{P}_{Y|X}$ and conformalizing its level sets. Previous work in this vein has focused on nonconformity scores based on the empirical cumulative distribution function (CDF). Such scores are, however, computationally costly, typically requiring expensive sampling methods. To avoid the need for sampling, we observe that the CDF-based score reduces to a Mahalanobis distance in the case of Gaussian scores, yielding a closed-form expression that can be directly conformalized. Moreover, the use of a Gaussian-based score opens the door to a number of extensions of the basic conformal method; in particular, we show how to construct conformal sets with missing output values, refine conformal sets as partial information about $Y$ becomes available, and construct conformal sets on transformations of the output space. Finally, empirical results indicate that our approach produces conformal sets that more closely approximate conditional coverage in multivariate settings compared to alternative methods.
Authors: Yu-Jui Huang, Zachariah Malik
Abstract: In the context of non-convex optimization, we let the temperature of a Langevin diffusion to depend on the diffusion's own density function. The rationale is that the induced density reveals to some extent the landscape imposed by the non-convex function to be minimized, such that a density-dependent temperature can provide location-wise random perturbation that may better react to, for instance, the location and depth of local minimizers. As the Langevin dynamics is now self-regulated by its own density, it forms a mean-field stochastic differential equation (SDE) of the Nemytskii type, distinct from the standard McKean-Vlasov equations. Relying on Wasserstein subdifferential calculus, we first show that the corresponding (nonlinear) Fokker-Planck equation has a unique solution. Next, a weak solution to the SDE is constructed from the solution to the Fokker-Planck equation, by Trevisan's superposition principle. As time goes to infinity, we further show that the density induced by the SDE converges to an invariant distribution, which admits an explicit formula in terms of the Lambert $W$ function.
Authors: Aran Nayebi
Abstract: We introduce the first implementable framework for corrigibility, with provable guarantees in multi-step, partially observed environments. Our framework replaces a single opaque reward with five *structurally separate* utility heads -- deference, switch-access preservation, truthfulness, low-impact behavior via a belief-based extension of Attainable Utility Preservation, and bounded task reward -- combined lexicographically by strict weight gaps. Theorem 1 proves exact single-round corrigibility in the partially observable off-switch game; Theorem 3 extends the guarantee to multi-step, self-spawning agents, showing that even if each head is \emph{learned} to mean-squared error $\varepsilon$ and the planner is $\varepsilon$-sub-optimal, the probability of violating \emph{any} safety property is bounded while still ensuring net human benefit. In contrast to Constitutional AI or RLHF/RLAIF, which merge all norms into one learned scalar, our separation makes obedience and impact-limits dominate even when incentives conflict. For open-ended settings where adversaries can modify the agent, we prove that deciding whether an arbitrary post-hack agent will ever violate corrigibility is undecidable by reduction to the halting problem, then carve out a finite-horizon ``decidable island'' where safety can be certified in randomized polynomial time and verified with privacy-preserving, constant-round zero-knowledge proofs. Consequently, the remaining challenge is the ordinary ML task of data coverage and generalization: reward-hacking risk is pushed into evaluation quality rather than hidden incentive leak-through, giving clearer implementation guidance for today's LLM assistants and future autonomous systems.
Authors: Hussein A. Ammar, Raviraj Adve, Shahram Shahbazpanahi, Gary Boudreau, Israfil Bahceci
Abstract: In the user-centric cell-free massive MIMO (UC-mMIMO) network scheme, user mobility necessitates updating the set of serving access points to maintain the user-centric clustering. Such updates are typically performed through handoff (HO) operations; however, frequent HOs lead to overheads associated with the allocation and release of resources. This paper presents a deep reinforcement learning (DRL)-based solution to predict and manage these connections for mobile users. Our solution employs the Soft Actor-Critic algorithm, with continuous action space representation, to train a deep neural network to serve as the HO policy. We present a novel proposition for a reward function that integrates a HO penalty in order to balance the attainable rate and the associated overhead related to HOs. We develop two variants of our system; the first one uses mobility direction-assisted (DA) observations that are based on the user movement pattern, while the second one uses history-assisted (HA) observations that are based on the history of the large-scale fading (LSF). Simulation results show that our DRL-based continuous action space approach is more scalable than discrete space counterpart, and that our derived HO policy automatically learns to gather HOs in specific time slots to minimize the overhead of initiating HOs. Our solution can also operate in real time with a response time less than 0.4 ms.
Authors: Trevor Harris, Yan Liu
Abstract: Operator models are regression algorithms for functional data and have become a key tool for emulating large-scale dynamical systems. Recent advances in deep neural operators have dramatically improved the accuracy and scalability of operator modeling, but lack an inherent notion of predictive uncertainty. We introduce Local Spectral Conformal Inference (LSCI), a new framework for locally adaptive, distribution-free uncertainty quantification for neural operator models. LSCI uses projection-based depth scoring and localized conformal inference to generate function-valued prediction sets with statistical guarantees. We prove approximate finite-sample marginal coverage under local exchangeability, and demonstrate significant gains in adaptivity and coverage across synthetic and real-world operator learning tasks.
Authors: Maria Camporese, Fabio Massacci
Abstract: Background: Automated Vulnerability Repair (AVR) is a fast-growing branch of program repair. Recent studies show that large language models (LLMs) outperform traditional techniques, extending their success beyond code generation and fault detection. Hypothesis: These gains may be driven by hidden factors -- "invisible hands" such as training-data leakage or perfect fault localization -- that let an LLM reproduce human-authored fixes for the same code. Objective: We replicate prior AVR studies under controlled conditions by deliberately adding errors to the reported vulnerability location in the prompt. If LLMs merely regurgitate memorized fixes, both small and large localization errors should yield the same number of correct patches, because any offset should divert the model from the original fix. Method: Our pipeline repairs vulnerabilities from the Vul4J and VJTrans benchmarks after shifting the fault location by n lines from the ground truth. A first LLM generates a patch, a second LLM reviews it, and we validate the result with regression and proof-of-vulnerability tests. Finally, we manually audit a sample of patches and estimate the error rate with the Agresti-Coull-Wilson method.
Authors: Ali Ismail-Fawaz, Maxime Devanne, Stefano Berretti, Jonathan Weber, Germain Forestier
Abstract: Automated assessment of human motion plays a vital role in rehabilitation, enabling objective evaluation of patient performance and progress. Unlike general human activity recognition, rehabilitation motion assessment focuses on analyzing the quality of movement within the same action class, requiring the detection of subtle deviations from ideal motion. Recent advances in deep learning and video-based skeleton extraction have opened new possibilities for accessible, scalable motion assessment using affordable devices such as smartphones or webcams. However, the field lacks standardized benchmarks, consistent evaluation protocols, and reproducible methodologies, limiting progress and comparability across studies. In this work, we address these gaps by (i) aggregating existing rehabilitation datasets into a unified archive called Rehab-Pile, (ii) proposing a general benchmarking framework for evaluating deep learning methods in this domain, and (iii) conducting extensive benchmarking of multiple architectures across classification and regression tasks. All datasets and implementations are released to the community to support transparency and reproducibility. This paper aims to establish a solid foundation for future research in automated rehabilitation assessment and foster the development of reliable, accessible, and personalized rehabilitation solutions. The datasets, source-code and results of this article are all publicly available.
Authors: Haoyang Liu, Yijiang Li, Haohan Wang
Abstract: Gene expression analysis holds the key to many biomedical discoveries, yet extracting insights from raw transcriptomic data remains formidable due to the complexity of multiple large, semi-structured files and the need for extensive domain expertise. Current automation approaches are often limited by either inflexible workflows that break down in edge cases or by fully autonomous agents that lack the necessary precision for rigorous scientific inquiry. GenoMAS charts a different course by presenting a team of LLM-based scientists that integrates the reliability of structured workflows with the adaptability of autonomous agents. GenoMAS orchestrates six specialized LLM agents through typed message-passing protocols, each contributing complementary strengths to a shared analytic canvas. At the heart of GenoMAS lies a guided-planning framework: programming agents unfold high-level task guidelines into Action Units and, at each juncture, elect to advance, revise, bypass, or backtrack, thereby maintaining logical coherence while bending gracefully to the idiosyncrasies of genomic data. On the GenoTEX benchmark, GenoMAS reaches a Composite Similarity Correlation of 89.13% for data preprocessing and an F$_1$ of 60.48% for gene identification, surpassing the best prior art by 10.61% and 16.85% respectively. Beyond metrics, GenoMAS surfaces biologically plausible gene-phenotype associations corroborated by the literature, all while adjusting for latent confounders. Code is available at https://github.com/Liu-Hy/GenoMAS.
Authors: Jungtaek Kim
Abstract: Bayesian optimization has attracted huge attention from diverse research areas in science and engineering, since it is capable of efficiently finding a global optimum of an expensive-to-evaluate black-box function. In general, a probabilistic regression model is widely used as a surrogate function to model an explicit distribution over function evaluations given an input to estimate and a training dataset. Beyond the probabilistic regression-based methods, density ratio estimation-based Bayesian optimization has been suggested in order to estimate a density ratio of the groups relatively close and relatively far to a global optimum. Developing this line of research further, supervised classifiers are employed to estimate a class probability for the two groups instead of a density ratio. However, the supervised classifiers used in this strategy are prone to be overconfident for known knowledge on global solution candidates. Supposing that we have access to unlabeled points, e.g., predefined fixed-size pools, we propose density ratio estimation-based Bayesian optimization with semi-supervised learning to solve this challenge. Finally, we show the empirical results of our methods and several baseline methods in two distinct scenarios with unlabeled point sampling and a fixed-size pool, and analyze the validity of our methods in diverse experiments.
Authors: Thomas Chen, Patr\'icia Mu\~noz Ewald
Abstract: In this paper, we approach the problem of cost (loss) minimization in underparametrized shallow ReLU networks through the explicit construction of upper bounds which appeal to the structure of classification data, without use of gradient descent. A key focus is on elucidating the geometric structure of approximate and precise minimizers. We consider an $\mathcal{L}^2$ cost function, input space $\mathbb{R}^M$, output space ${\mathbb R}^Q$ with $Q\leq M$, and training input sample size that can be arbitrarily large. We prove an upper bound on the minimum of the cost function of order $O(\delta_P)$ where $\delta_P$ measures the signal-to-noise ratio of training data. In the special case $M=Q$, we explicitly determine an exact degenerate local minimum of the cost function, and show that the sharp value differs from the upper bound obtained for $Q\leq M$ by a relative error $O(\delta_P^2)$. The proof of the upper bound yields a constructively trained network; we show that it metrizes a particular $Q$-dimensional subspace in the input space ${\mathbb R}^M$. We comment on the characterization of the global minimum of the cost function in the given context.
Authors: Maya Okawa, Ekdeep Singh Lubana, Robert P. Dick, Hidenori Tanaka
Abstract: Modern generative models exhibit unprecedented capabilities to generate extremely realistic data. However, given the inherent compositionality of the real world, reliable use of these models in practical applications requires that they exhibit the capability to compose a novel set of concepts to generate outputs not seen in the training data set. Prior work demonstrates that recent diffusion models do exhibit intriguing compositional generalization abilities, but also fail unpredictably. Motivated by this, we perform a controlled study for understanding compositional generalization in conditional diffusion models in a synthetic setting, varying different attributes of the training data and measuring the model's ability to generate samples out-of-distribution. Our results show: (i) the order in which the ability to generate samples from a concept and compose them emerges is governed by the structure of the underlying data-generating process; (ii) performance on compositional tasks exhibits a sudden "emergence" due to multiplicative reliance on the performance of constituent tasks, partially explaining emergent phenomena seen in generative models; and (iii) composing concepts with lower frequency in the training data to generate out-of-distribution samples requires considerably more optimization steps compared to generating in-distribution samples. Overall, our study lays a foundation for understanding capabilities and compositionality in generative models from a data-centric perspective.
Authors: Francesco Corti, Balz Maag, Joachim Schauer, Ulrich Pferschy, Olga Saukh
Abstract: Deep learning models deployed on edge devices frequently encounter resource variability, which arises from fluctuating energy levels, timing constraints, or prioritization of other critical tasks within the system. State-of-the-art machine learning pipelines generate resource-agnostic models that are not capable to adapt at runtime. In this work, we introduce Resource-Efficient Deep Subnetworks (REDS) to tackle model adaptation to variable resources. In contrast to the state-of-the-art, REDS leverages structured sparsity constructively by exploiting permutation invariance of neurons, which allows for hardware-specific optimizations. Specifically, REDS achieves computational efficiency by (1) skipping sequential computational blocks identified by a novel iterative knapsack optimizer, and (2) taking advantage of data cache by re-arranging the order of operations in REDS computational graph. REDS supports conventional deep networks frequently deployed on the edge and provides computational benefits even for small and simple networks. We evaluate REDS on eight benchmark architectures trained on the Visual Wake Words, Google Speech Commands, Fashion-MNIST, CIFAR-10 and ImageNet-1K datasets, and test on four off-the-shelf mobile and embedded hardware platforms. We provide a theoretical result and empirical evidence demonstrating REDS' outstanding performance in terms of submodels' test set accuracy, and demonstrate an adaptation time in response to dynamic resource constraints of under 40$\mu$s, utilizing a fully-connected network on Arduino Nano 33 BLE.
Authors: L\'ena\"ic Chizat, Praneeth Netrapalli
Abstract: Deep learning succeeds by doing hierarchical feature learning, yet tuning hyper-parameters (HP) such as initialization scales, learning rates etc., only give indirect control over this behavior. In this paper, we introduce a key notion to predict and control feature learning: the angle $\theta_\ell$ between the feature updates and the backward pass (at layer index $\ell$). We show that the magnitude of feature updates after one GD step, at any training time, can be expressed via a simple and general \emph{feature speed formula} in terms of this angle $\theta_\ell$, the loss decay, and the magnitude of the backward pass. This angle $\theta_\ell$ is controlled by the conditioning of the layer-to-layer Jacobians and at random initialization, it is determined by the spectrum of a certain kernel, which coincides with the Neural Tangent Kernel when $\ell=\text{depth}$. Given $\theta_\ell$, the feature speed formula provides us with rules to adjust HPs (scales and learning rates) so as to satisfy certain dynamical properties, such as feature learning and loss decay. We investigate the implications of our approach for ReLU MLPs and ResNets in the large width-then-depth limit. Relying on prior work, we show that in ReLU MLPs with iid initialization, the angle degenerates with depth as $\cos(\theta_\ell)=\Theta(1/\sqrt{\ell})$. In contrast, ResNets with branch scale $O(1/\sqrt{\text{depth}})$ maintain a non-degenerate angle $\cos(\theta_\ell)=\Theta(1)$. We use these insights to recover key properties of known HP scalings and also to introduce a new HP scaling for large depth ReLU MLPs with favorable theoretical properties.
Authors: Hassan Ismail Fawaz, Ganesh Del Grosso, Tanguy Kerdoncuff, Aurelie Boisbunon, Illyyne Saffar
Abstract: Unsupervised Domain Adaptation (UDA) aims to harness labeled source data to train models for unlabeled target data. Despite extensive research in domains like computer vision and natural language processing, UDA remains underexplored for time series data, which has widespread real-world applications ranging from medicine and manufacturing to earth observation and human activity recognition. Our paper addresses this gap by introducing a comprehensive benchmark for evaluating UDA techniques for time series classification, with a focus on deep learning methods. We provide seven new benchmark datasets covering various domain shifts and temporal dynamics, facilitating fair and standardized UDA method assessments with state of the art neural network backbones (e.g. Inception) for time series data. This benchmark offers insights into the strengths and limitations of the evaluated approaches while preserving the unsupervised nature of domain adaptation, making it directly applicable to practical problems. Our paper serves as a vital resource for researchers and practitioners, advancing domain adaptation solutions for time series data and fostering innovation in this critical field. The implementation code of this benchmark is available at https://github.com/EricssonResearch/UDA-4-TSC.
Authors: Andr\'e Artelt, Shubham Sharma, Freddy Lecu\'e, Barbara Hammer
Abstract: Counterfactual explanations are a widely used approach for examining the predictions of black-box systems. They can offer the opportunity for computational recourse by suggesting actionable changes on how to alter the input to obtain a different (i.e., more favorable) system output. However, recent studies have pointed out their susceptibility to various forms of manipulation. This work studies the vulnerability of counterfactual explanations to data poisoning. We formally introduce and investigate data poisoning in the context of counterfactual explanations for increasing the cost of recourse on three different levels: locally for a single instance, a sub-group of instances, or globally for all instances. In this context, we formally introduce and characterize data poisonings, from which we derive and investigate a general data poisoning mechanism. We demonstrate the impact of such data poisoning in the critical real-world application of explaining event detections in water distribution networks. Additionally, we conduct an extensive empirical evaluation, demonstrating that state-of-the-art counterfactual generation methods and toolboxes are vulnerable to such data poisoning. Furthermore, we find that existing defense methods fail to detect those poisonous samples.
Authors: Yunfei Yang, Han Feng, Ding-Xuan Zhou
Abstract: We study approximation and learning capacities of convolutional neural networks (CNNs) with one-side zero-padding and multiple channels. Our first result proves a new approximation bound for CNNs with certain constraint on the weights. Our second result gives new analysis on the covering number of feed-forward neural networks with CNNs as special cases. The analysis carefully takes into account the size of the weights and hence gives better bounds than the existing literature in some situations. Using these two results, we are able to derive rates of convergence for estimators based on CNNs in many learning problems. In particular, we establish minimax optimal convergence rates of the least squares based on CNNs for learning smooth functions in the nonparametric regression setting. For binary classification, we derive convergence rates for CNN classifiers with hinge loss and logistic loss. It is also shown that the obtained rates for classification are minimax optimal in some common settings.
Authors: Hubert Baniecki, Giuseppe Casalicchio, Bernd Bischl, Przemyslaw Biecek
Abstract: We study the robustness of global post-hoc explanations for predictive models trained on tabular data. Effects of predictor features in black-box supervised learning are an essential diagnostic tool for model debugging and scientific discovery in applied sciences. However, how vulnerable they are to data and model perturbations remains an open research question. We introduce several theoretical bounds for evaluating the robustness of partial dependence plots and accumulated local effects. Our experimental results with synthetic and real-world datasets quantify the gap between the best and worst-case scenarios of (mis)interpreting machine learning predictions globally.
Authors: Shide Zhou, Tianlin Li, Yihao Huang, Ling Shi, Kailong Wang, Yang Liu, Haoyu Wang
Abstract: Deep Neural networks (DNNs), extensively applied across diverse disciplines, are characterized by their integrated and monolithic architectures, setting them apart from conventional software systems. This architectural difference introduces particular challenges to maintenance tasks, such as model restructure (e.g., model compression), re-adaptation (e.g., fitting new samples), and incremental development (e.g., continual knowledge accumulation). Prior research addresses these challenges by identifying task-critical neuron layers, and dividing neural networks into semantically-similar sequential modules. However, such layer-level approaches fail to precisely identify and manipulate neuron-level semantic components, restricting their applicability to finer-grained model maintenance tasks. In this work, we implement NeuSemSlice, a novel framework that introduces the semantic slicing technique to effectively identify critical neuron-level semantic components in DNN models for semantic-aware model maintenance tasks. Specifically, semantic slicing identifies, categorizes and merges critical neurons across different categories and layers according to their semantic similarity, enabling their flexibility and effectiveness in the subsequent tasks. For semantic-aware model maintenance tasks, we provide a series of novel strategies based on semantic slicing to enhance NeuSemSlice. They include semantic components (i.e., critical neurons) preservation for model restructure, critical neuron tuning for model re-adaptation, and non-critical neuron training for model incremental development. A thorough evaluation has demonstrated that NeuSemSlice significantly outperforms baselines in all three tasks.
Authors: Chao Zeng, Songwei Liu, Yusheng Xie, Hong Liu, Xiaojian Wang, Miao Wei, Shu Yang, Fangmin Chen, Xing Mei
Abstract: Large Language Models (LLMs) have revolutionized natural language processing tasks. However, their practical application is constrained by substantial memory and computational demands. Post-training quantization (PTQ) is considered an effective method to accelerate LLM inference. Despite its growing popularity in LLM model compression, PTQ deployment faces two major challenges. First, low-bit quantization leads to performance degradation. Second, restricted by the limited integer computing unit type on GPUs, quantized matrix operations with different precisions cannot be effectively accelerated. To address these issues, we introduce a novel arbitrary-bit quantization algorithm and inference framework, ABQ-LLM. It achieves superior performance across various quantization settings and enables efficient arbitrary-precision quantized inference on the GPU. ABQ-LLM introduces several key innovations: (1) a distribution correction method for transformer blocks to mitigate distribution differences caused by full quantization of weights and activations, improving performance at low bit-widths. (2) the bit balance strategy to counteract performance degradation from asymmetric distribution issues at very low bit-widths (e.g., 2-bit). (3) an innovative quantization acceleration framework that reconstructs the quantization matrix multiplication of arbitrary precision combinations based on BTC (Binary TensorCore) equivalents, gets rid of the limitations of INT4/INT8 computing units. ABQ-LLM can convert each component bit width gain into actual acceleration gain, maximizing performance under mixed precision(e.g., W6A6, W2A8). Based on W2*A8 quantization configuration on LLaMA-7B model, it achieved a WikiText2 perplexity of 7.59 (2.17$\downarrow $ vs 9.76 in AffineQuant). Compared to SmoothQuant, we realized 1.6$\times$ acceleration improvement and 2.7$\times$ memory compression gain.
Authors: Yupeng Su, Ziyi Guan, Xiaoqun Liu, Tianlai Jin, Dongkuan Wu, Zhengfei Chen, Graziano Chesi, Ngai Wong, Hao Yu
Abstract: Large language models (LLMs) have seen substantial growth, necessitating efficient model pruning techniques. Existing post-training pruning methods primarily measure weight importance in converged dense models, often overlooking changes in weight significance during the pruning process, leading to performance degradation. To address this issue, we present LLM-Barber (Block-Aware Rebuilder for Sparsity Mask in One-Shot), a novel one-shot pruning framework that rebuilds the sparsity mask of pruned models without any retraining or weight reconstruction. LLM-Barber incorporates block-aware error optimization across Self-Attention and MLP blocks, facilitating global performance optimization. We are the first to employ the product of weights and gradients as a pruning metric in the context of LLM post-training pruning. This enables accurate identification of weight importance in massive models and significantly reduces computational complexity compared to methods using secondorder information. Our experiments show that LLM-Barber efficiently prunes models from LLaMA and OPT families (7B to 13B) on a single A100 GPU in just 30 minutes, achieving state-of-the-art results in both perplexity and zero-shot performance across various language benchmarks. Code is available at https://github.com/YupengSu/LLM-Barber.
Authors: Zhen Guo, Abhinav Kumar, Reza Tourani
Abstract: Backdoor attacks pose a significant threat to neural networks, enabling adversaries to manipulate model outputs on specific inputs, often with devastating consequences, especially in critical applications. While backdoor attacks have been studied in various contexts, little attention has been given to their practicality and persistence in continual learning, particularly in understanding how the continual updates to model parameters, as new data distributions are learned and integrated, impact the effectiveness of these attacks over time. To address this gap, we introduce two persistent backdoor attacks-Blind Task Backdoor and Latent Task Backdoor-each leveraging minimal adversarial influence. Our blind task backdoor subtly alters the loss computation without direct control over the training process, while the latent task backdoor influences only a single task's training, with all other tasks trained benignly. We evaluate these attacks under various configurations, demonstrating their efficacy with static, dynamic, physical, and semantic triggers. Our results show that both attacks consistently achieve high success rates across different continual learning algorithms, while effectively evading state-of-the-art defenses, such as SentiNet and I-BAU.
Authors: Satvik Golechha, Dylan Cope, Nandi Schoots
Abstract: An approach to improve network interpretability is via clusterability, i.e., splitting a model into disjoint clusters that can be studied independently. We find pretrained models to be highly unclusterable and thus train models to be more modular using an ``enmeshment loss'' function that encourages the formation of non-interacting clusters. Using automated interpretability measures, we show that our method finds clusters that learn different, disjoint, and smaller circuits for CIFAR-10 labels. Our approach provides a promising direction for making neural networks easier to interpret.
Authors: Zian Li, Cai Zhou, Xiyuan Wang, Xingang Peng, Muhan Zhang
Abstract: Recent advances in molecular generative models have demonstrated great promise for accelerating scientific discovery, particularly in drug design. However, these models often struggle to generate high-quality molecules, especially in conditional scenarios where specific molecular properties must be satisfied. In this work, we introduce GeoRCG, a general framework to improve molecular generative models by integrating geometric representation conditions with provable theoretical guarantees. We decompose the generation process into two stages: first, generating an informative geometric representation; second, generating a molecule conditioned on the representation. Compared with single-stage generation, the easy-to-generate representation in the first stage guides the second stage generation toward a high-quality molecule in a goal-oriented way. Leveraging EDM and SemlaFlow as base generators, we observe significant quality improvements in unconditional molecule generation on the widely used QM9 and GEOM-DRUG datasets. More notably, in the challenging conditional molecular generation task, our framework achieves an average 50\% performance improvement over state-of-the-art approaches, highlighting the superiority of conditioning on semantically rich geometric representations. Furthermore, with such representation guidance, the number of diffusion steps can be reduced to as small as 100 while largely preserving the generation quality achieved with 1,000 steps, thereby significantly reducing the generation iterations needed. Code is available at https://github.com/GraphPKU/GeoRCG.
Authors: Devdhar Patel, Hava Siegelmann
Abstract: Reinforcement learning (RL) is rapidly reaching and surpassing human-level control capabilities. However, state-of-the-art RL algorithms often require timesteps and reaction times significantly faster than human capabilities, which is impractical in real-world settings and typically necessitates specialized hardware. We introduce Sequence Reinforcement Learning (SRL), an RL algorithm designed to produce a sequence of actions for a given input state, enabling effective control at lower decision frequencies. SRL addresses the challenges of learning action sequences by employing both a model and an actor-critic architecture operating at different temporal scales. We propose a "temporal recall" mechanism, where the critic uses the model to estimate intermediate states between primitive actions, providing a learning signal for each individual action within the sequence. Once training is complete, the actor can generate action sequences independently of the model, achieving model-free control at a slower frequency. We evaluate SRL on a suite of continuous control tasks, demonstrating that it achieves performance comparable to state-of-the-art algorithms while significantly reducing actor sample complexity. To better assess performance across varying decision frequencies, we introduce the Frequency-Averaged Score (FAS) metric. Our results show that SRL significantly outperforms traditional RL algorithms in terms of FAS, making it particularly suitable for applications requiring variable decision frequencies. Furthermore, we compare SRL with model-based online planning, showing that SRL achieves comparable FAS while leveraging the same model during training that online planners use for planning.
Authors: Mehrad Soltani, Luis Rueda
Abstract: The task of spatial clustering of transcriptomics data is of paramount importance. It enables the classification of tissue samples into diverse subpopulations of cells, which, in turn, facilitates the analysis of the biological functions of clusters, tissue reconstruction, and cell-cell interactions. Many approaches leverage gene expressions, spatial locations, and histological images to detect spatial domains; however, Graph Neural Networks (GNNs) as state of the art models suffer from a limitation in the assumption of pairwise connections between nodes. In the case of domain detection in spatial transcriptomics, some cells are found to be not directly related. Still, they are grouped as the same domain, which shows the incapability of GNNs for capturing implicit connections among the cells. While graph edges connect only two nodes, hyperedges connect an arbitrary number of nodes along their edges, which lets Hypergraph Neural Networks (HGNNs) capture and utilize richer and more complex structural information than traditional GNNs. We use autoencoders to address the limitation of not having the actual labels, which are well-suited for unsupervised learning. Our model has demonstrated exceptional performance, achieving the highest iLISI score of 1.843 compared to other methods. This score indicates the greatest diversity of cell types identified by our method. Furthermore, our model outperforms other methods in downstream clustering, achieving the highest ARI values of 0.51 and Leiden score of 0.60.
Authors: Yufei Zhang, Yicheng Xu, Hongxin Wei, Zhiping Lin, Xiaofeng Zou, Cen Chen, Huiping Zhuang
Abstract: Test-Time Adaptation (TTA) enables pre-trained models to bridge the gap between source and target datasets using unlabeled test data, addressing domain shifts caused by corruptions like weather changes, noise, or sensor malfunctions in test time. Multi-Modal Continual Test-Time Adaptation (MM-CTTA), as an extension of standard TTA, further allows models to handle multi-modal inputs and adapt to continuously evolving target domains. However, MM-CTTA faces critical challenges such as catastrophic forgetting and reliability bias, which are rarely addressed effectively under multi-modal corruption scenarios. In this paper, we propose a novel approach, Multi-modality Dynamic Analytic Adapter (MDAA), to tackle MM-CTTA tasks. MDAA introduces analytic learning,a closed-form training technique,through Analytic Classifiers (ACs) to mitigate catastrophic forgetting. Furthermore, we design the Dynamic Late Fusion Mechanism (DLFM) to dynamically select and integrate reliable information from different modalities. Extensive experiments show that MDAA achieves state-of-the-art performance across the proposed tasks.
Authors: Johann Brehmer, S\"onke Behrends, Pim de Haan, Taco Cohen
Abstract: Given large datasets and sufficient compute, is it beneficial to design neural architectures for the structure and symmetries of each problem? Or is it more efficient to learn them from data? We study empirically how equivariant and non-equivariant networks scale with compute and training samples. Focusing on a benchmark problem of rigid-body interactions and on general-purpose transformer architectures, we perform a series of experiments, varying the model size, training steps, and dataset size. We find evidence for three conclusions. First, equivariance improves data efficiency, but training non-equivariant models with data augmentation can close this gap given sufficient epochs. Second, scaling with compute follows a power law, with equivariant models outperforming non-equivariant ones at each tested compute budget. Finally, the optimal allocation of a compute budget onto model size and training duration differs between equivariant and non-equivariant models.
Authors: Yongqi Zhuo, Zhengyuan Su, Chenggang Zhao, Mingyu Gao
Abstract: The desires for better prediction accuracy and higher execution performance in neural networks never end. Neural architecture search (NAS) and tensor compilers are two popular techniques to optimize these two goals, but they are both limited to composing or optimizing existing manually designed operators rather than coming up with completely new designs. In this work, we explore the less studied direction of neural operator synthesis, which aims to automatically and efficiently discover novel neural operators with better accuracy and/or speed. We develop an end-to-end framework Syno, to realize practical neural operator synthesis. Syno makes use of a novel set of fine-grained primitives defined on tensor dimensions, which ensure various desired properties to ease model training, and also enable expression canonicalization techniques to avoid redundant candidates during search. Syno further adopts a novel guided synthesis flow to obtain valid operators matched with the specified input/output dimension sizes, and leverages efficient stochastic tree search algorithms to quickly explore the design space. We demonstrate that Syno discovers better operators with average speedups of $1.37\times$ to $2.06\times$ on various hardware and compiler choices, while keeping less than 1% accuracy loss even on NAS-optimized models.
Authors: Viviana Alejandra Diaz, Leandro Martin Salomone, Marcela Zuccalli
Abstract: Lagrangian Neural Networks (LNNs) are a powerful tool for addressing physical systems, particularly those governed by conservation laws. LNNs can parametrize the Lagrangian of a system to predict trajectories with nearly conserved energy. These techniques have proven effective in unconstrained systems as well as those with holonomic constraints. In this work, we adapt LNN techniques to mechanical systems with nonholonomic constraints. We test our approach on some well-known examples with nonholonomic constraints, showing that incorporating these restrictions into the neural network's learning improves not only trajectory estimation accuracy but also ensures adherence to constraints and exhibits better energy behavior compared to the unconstrained counterpart.
Authors: Long Shi, Chuanqing Tang, Huangyi Deng, Cai Xu, Lei Xing, Badong Chen
Abstract: Recently, multi-view learning has witnessed a considerable interest on the research of trusted decision-making. Previous methods are mainly inspired from an important paper published by Han et al. in 2021, which formulates a Trusted Multi-view Classification (TMC) framework that aggregates evidence from different views based on Dempster's combination rule. All these methods only consider inter-view aggregation, yet lacking exploitation of intra-view information. In this paper, we propose a generalized trusted multi-view classification framework with hierarchical opinion aggregation. This hierarchical framework includes a two-phase aggregation process: the intra-view and inter-view aggregation hierarchies. In the intra aggregation, we assume that each view is comprised of common information shared with other views, as well as its specific information. We then aggregate both the common and specific information. This aggregation phase is useful to eliminate the feature noise inherent to view itself, thereby improving the view quality. In the inter-view aggregation, we design an attention mechanism at the evidence level to facilitate opinion aggregation from different views. To the best of our knowledge, this is one of the pioneering efforts to formulate a hierarchical aggregation framework in the trusted multi-view learning domain. Extensive experiments show that our model outperforms some state-of art trust-related baselines. One can access the source code on https://github.com/lshi91/GTMC-HOA.
Authors: Giang Do, Kha Pham, Hung Le, Truyen Tran
Abstract: Sparse mixture of experts (SMoE) is an effective solution for scaling up model capacity without increasing the computational costs. A crucial component of SMoE is the router, responsible for directing the input to relevant experts; however, it also presents a major weakness, leading to routing inconsistencies and representation collapse issues. Instead of fixing the router like previous works, we propose an alternative that assigns experts to input via indirection, which employs the discrete representation of input that points to the expert. The discrete representations are learnt via vector quantization, resulting in a new architecture dubbed Vector-Quantized Mixture of Experts (VQMoE). We provide theoretical support and empirical evidence demonstrating the VQMoE's ability to overcome the challenges present in traditional routers. Through extensive evaluations on both large language models and vision tasks for pre-training and fine-tuning, we show that VQMoE achieves a 28% improvement in robustness compared to other SMoE routing methods, while maintaining strong performance in fine-tuning tasks.
Authors: Bat-Sheva Einbinder, Liran Ringel, Yaniv Romano
Abstract: The risk-controlling prediction sets (RCPS) framework is a general tool for transforming the output of any machine learning model to design a predictive rule with rigorous error rate control. The key idea behind this framework is to use labeled hold-out calibration data to tune a hyper-parameter that affects the error rate of the resulting prediction rule. However, the limitation of such a calibration scheme is that with limited hold-out data, the tuned hyper-parameter becomes noisy and leads to a prediction rule with an error rate that is often unnecessarily conservative. To overcome this sample-size barrier, we introduce a semi-supervised calibration procedure that leverages unlabeled data to rigorously tune the hyper-parameter without compromising statistical validity. Our procedure builds upon the prediction-powered inference framework, carefully tailoring it to risk-controlling tasks. We demonstrate the benefits and validity of our proposal through two real-data experiments: few-shot image classification and early time series classification.
Authors: Chao Zeng, Songwei Liu, Shu Yang, Fangmin Chen, Lean Fu, Xing Mei
Abstract: Model compression has emerged as a mainstream solution to reduce memory usage and computational overhead. This paper presents Group Quantization and Sparse Acceleration (GQSA), a novel compression technique tailored for LLMs. Traditional methods typically focus exclusively on either quantization or sparsification, but relying on a single strategy often results in significant performance loss at high compression rates. In contrast, GQSA integrates quantization and sparsification in a tightly coupled manner, leveraging GPU-friendly structured group sparsity and quantization for efficient acceleration. Building upon system-algorithm co-design principles, we propose a two-stage sparse optimization strategy that ensures the performance superiority of the compressed model. On the engine side, we introduce a "task-centric" parallel strategy, which, to the best of our knowledge, is the first application in the domain of sparse computing. Compared to the traditional 2:4 sparse method, the GQSA offers a more flexible and adjustable sparsity rate, as well as a higher weight compression rate, and is efficiently compatible with weight-only quantization methods. Experimental results demonstrate that, under the GQSA W4S50% compression setting, the model's accuracy surpasses that of both 2:4 pruning and W2 quantization. Furthermore, at the inference level, GQSA outperforms W2 by 1.26$\times$ and 2:4 pruning by 2.35$\times$ in terms of speed.
Authors: Anil Radhakrishnan, John F. Lindner, Scott T. Miller, Sudeshna Sinha, William L. Ditto
Abstract: In contrast to conventional artificial neural networks, which are structurally static, we present two approaches for evolving small networks into larger ones during training. The first method employs an auxiliary weight that directly controls network size, while the second uses a controller-generated mask to modulate neuron participation. Both approaches optimize network size through the same gradient-descent algorithm that updates the network's weights and biases. We evaluate these growing networks on nonlinear regression and classification tasks, where they consistently outperform static networks of equivalent final size. We then explore the hyperparameter space of these networks to find associated scaling relations relative to their static counterparts. Our results suggest that starting small and growing naturally may be preferable to simply starting large, particularly as neural networks continue to grow in size and energy consumption.
Authors: Javier Sol\'is-Garc\'ia, Bel\'en Vega-M\'arquez, Juan A. Nepomuceno, Isabel A. Nepomuceno-Chamorro
Abstract: Multivariate Time Series Imputation (MTSI) is crucial for many applications, such as healthcare monitoring and traffic management, where incomplete data can compromise decision-making. Existing state-of-the-art methods, like Denoising Diffusion Probabilistic Models (DDPMs), achieve high imputation accuracy; however, they suffer from significant computational costs and are notably time-consuming due to their iterative nature. In this work, we propose CoSTI, an innovative adaptation of Consistency Models (CMs) for the MTSI domain. CoSTI employs Consistency Training to achieve comparable imputation quality to DDPMs while drastically reducing inference times, making it more suitable for real-time applications. We evaluate CoSTI across multiple datasets and missing data scenarios, demonstrating up to a 98% reduction in imputation time with performance on par with diffusion-based models. This work bridges the gap between efficiency and accuracy in generative imputation tasks, providing a scalable solution for handling missing data in critical spatio-temporal systems.
Authors: Grigoriy Ksenofontov, Alexander Korotin
Abstract: The Schr\"odinger Bridge (SB) is a powerful framework for solving generative modeling tasks such as unpaired domain translation. Most SB-related research focuses on continuous data space $\mathbb{R}^{D}$ and leaves open theoretical and algorithmic questions about applying SB methods to discrete data, e.g, on finite spaces $\mathbb{S}^{D}$. Notable examples of such sets $\mathbb{S}$ are codebooks of vector-quantized (VQ) representations of modern autoencoders, tokens in texts, categories of atoms in molecules, etc. In this paper, we provide a theoretical and algorithmic foundation for solving SB in discrete spaces using the recently introduced Iterative Markovian Fitting (IMF) procedure. Specifically, we theoretically justify the convergence of discrete-time IMF (D-IMF) to SB in discrete spaces. This enables us to develop a practical computational algorithm for SB, which we call Categorical Schr\"odinger Bridge Matching (CSBM). We show the performance of CSBM via a series of experiments with synthetic data and VQ representations of images. The code of CSBM is available at https://github.com/gregkseno/csbm.
Authors: Juan Du, Dongheng Chen
Abstract: Anomaly detection based on 3D point cloud data is an important research problem and receives more and more attention recently. Untrained anomaly detection based on only one sample is an emerging research problem motivated by real manufacturing industries such as personalized manufacturing where only one sample can be collected without any additional labels and historical datasets. Identifying anomalies accurately based on one 3D point cloud sample is a critical challenge in both industrial applications and the field of machine learning. This paper aims to provide a formal definition of the untrained anomaly detection problem based on 3D point cloud data, discuss the differences between untrained anomaly detection and current unsupervised anomaly detection problems. Unlike trained unsupervised learning, untrained unsupervised learning does not rely on any data, including unlabeled data. Instead, they leverage prior knowledge about the surfaces and anomalies. We propose three complementary methodological frameworks: the Latent Variable Inference Framework that employs probabilistic modeling to distinguish anomalies; the Decomposition Framework that separates point clouds into reference, anomaly, and noise components through sparse learning; and the Local Geometry Framework that leverages neighborhood information for anomaly identification. Experimental results demonstrate that untrained methods achieve competitive detection performance while offering significant computational advantages, demonstrating up to a 15-fold increase in execution speed. The proposed methods provide viable solutions for scenarios with extreme data scarcity, addressing critical challenges in personalized manufacturing and healthcare applications where collecting multiple samples or historical data is infeasible.
Authors: Tanvir Islam
Abstract: Histogram-Based Outlier Score (HBOS) is a widely used outlier or anomaly detection method known for its computational efficiency and simplicity. However, its assumption of feature independence limits its ability to detect anomalies in datasets where interactions between features are critical. In this paper, we propose the Extended Histogram-Based Outlier Score (EHBOS), which enhances HBOS by incorporating two-dimensional histograms to capture dependencies between feature pairs. This extension allows EHBOS to identify contextual and dependency-driven anomalies that HBOS fails to detect. We evaluate EHBOS on 17 benchmark datasets, demonstrating its effectiveness and robustness across diverse anomaly detection scenarios. EHBOS outperforms HBOS on several datasets, particularly those where feature interactions are critical in defining the anomaly structure, achieving notable improvements in ROC AUC. These results highlight that EHBOS can be a valuable extension to HBOS, with the ability to model complex feature dependencies. EHBOS offers a powerful new tool for anomaly detection, particularly in datasets where contextual or relational anomalies play a significant role.
Authors: Yuhao Liu, Yu Chen, Rui Hu, Longbo Huang
Abstract: The stochastic interpolant framework offers a powerful approach for constructing generative models based on ordinary differential equations (ODEs) or stochastic differential equations (SDEs) to transform arbitrary data distributions. However, prior analyses of this framework have primarily focused on the continuous-time setting, assuming a perfect solution of the underlying equations. In this work, we present the first discrete-time analysis of the stochastic interpolant framework, where we introduce an innovative discrete-time sampler and derive a finite-time upper bound on its distribution estimation error. Our result provides a novel quantification of how different factors, including the distance between source and target distributions and estimation accuracy, affect the convergence rate and also offers a new principled way to design efficient schedules for convergence acceleration. Finally, numerical experiments are conducted on the discrete-time sampler to corroborate our theoretical findings.
Authors: Semyon Savkin, Eitan Porat, Or Ordentlich, Yury Polyanskiy
Abstract: Post-training quantization (PTQ) has emerged as a critical technique for efficient deployment of large language models (LLMs). This work proposes NestQuant, a novel PTQ scheme for weights and activations that is based on self-similar nested lattices. Recent works have mathematically shown such quantizers to be information-theoretically optimal for low-precision matrix multiplication. We implement a practical low-complexity version of NestQuant based on Gosset lattice, making it a drop-in quantizer for any matrix multiplication step (e.g., in self-attention, MLP etc). For example, NestQuant quantizes weights, KV-cache, and activations of Llama-3-8B to 4 bits, achieving perplexity of 6.6 on wikitext2. This represents more than 55% reduction in perplexity gap with respect to unquantized model (perplexity of 6.14) compared to state-of-the-art Metas SpinQuant (perplexity 7.3), OstQuant (7.3) and QuaRot (8.2). Comparisons on bigger models (up to 70B) and on various LLM evaluation benchmarks confirm uniform superiority of NestQuant.
Authors: Lily H. Zhang, Rajesh Ranganath
Abstract: Preference learning, or the task of aligning generative models to preference comparison data, has yet to reach the conceptual maturity of classification, density estimation, etc. To close this gap, this work presents a framework to understand preference learning starting from the sampling distribution of pairwise preference data. First, we prove that the only evaluation of a generative model that respects both preferences and prevalences in the data distribution is a form of win rate, justifying win rate as the focal point to understand preference learning. We then analyze preference learning methods as win rate optimization (WRO) or non-WRO. We present novel instances of WRO beyond existing examples (RLHF, NLHF) and identify two key theoretical benefits of all such methods. We prove that common non-WRO methods like DPO and SFT on preferred samples lack these properties and suggest ways to mitigate such theoretical limitations. We also show that WRO underperforms in practice due optimization difficulties and that optimization success predicts performance better than choices which affect the objective's solution. Our analysis highlights best practices for existing methods and provides recommendations for future research, guided by the principle that one should either align non-WRO methods more closely with WRO or improve the optimization of WRO objectives.
Authors: Shenglong Zhou, Ouya Wang, Ziyan Luo, Yongxu Zhu, Geoffrey Ye Li
Abstract: The recent advancement of foundation models (FMs) has brought about a paradigm shift, revolutionizing various sectors worldwide. The popular optimizers used to train these models are stochastic gradient descent-based algorithms, which face inherent limitations, such as slow convergence and stringent assumptions for convergence. In particular, data heterogeneity arising from distributed settings poses significant challenges to their theoretical and numerical performance. This paper develops an algorithm, PISA (\textbf{P}reconditioned \textbf{I}nexact \textbf{S}tochastic \textbf{A}lternating Direction Method of Multipliers), which enables scalable parallel computing and supports various preconditions, such as second-order information, second moment, and orthogonalized momentum by Newton-Schulz iterations. Grounded in rigorous theoretical guarantees, the algorithm converges under the sole assumption of Lipschitz continuity of the gradient on a bounded region, thereby removing the need for other conditions commonly imposed by stochastic methods. This capability enables PISA to tackle the challenge of data heterogeneity effectively. Comprehensive experimental evaluations for training or fine-tuning diverse deep models, including vision models, large language models, reinforcement learning models, generative adversarial networks, and recurrent neural networks, demonstrate its superior numerical performance compared to various state-of-the-art optimizers.
Authors: Yuxiao Wen
Abstract: In combinatorial semi-bandits, a learner repeatedly selects from a combinatorial decision set of arms, receives the realized sum of rewards, and observes the rewards of the individual selected arms as feedback. In this paper, we extend this framework to include \emph{graph feedback}, where the learner observes the rewards of all neighboring arms of the selected arms in a feedback graph $G$. We establish that the optimal regret over a time horizon $T$ scales as $\widetilde{\Theta}(S\sqrt{T}+\sqrt{\alpha ST})$, where $S$ is the size of the combinatorial decisions and $\alpha$ is the independence number of $G$. This result interpolates between the known regrets $\widetilde\Theta(S\sqrt{T})$ under full information (i.e., $G$ is complete) and $\widetilde\Theta(\sqrt{KST})$ under the semi-bandit feedback (i.e., $G$ has only self-loops), where $K$ is the total number of arms. A key technical ingredient is to realize a convexified action using a random decision vector with negative correlations. We also show that online stochastic mirror descent (OSMD) that only realizes convexified actions in expectation is suboptimal. In addition, we describe the problem of \emph{combinatorial semi-bandits with general capacity} and apply our results to derive an improved regret upper bound, which may be of independent interest.
Authors: Hugo Retief, Kayathri, Vigneswaran, Surajit Ghosh, Mariangel Garcia Andarcia, Chris Dickens
Abstract: Reliable daily estimates of reservoir storage are pivotal for water allocation and drought response decisions in semiarid regions. Conventional rating curves at Loskop Dam, the primary storage on South Africa's Olifants River, have become increasingly uncertain owing to sedimentation and episodic drawdown. A 40 year Digital Earth Africa (DEA) surface area archive (1984-2024) fused with gauged water levels to develop data driven volume predictors that operate under a maximum 9.14%, a 90 day drawdown constraint. Four nested feature sets were examined: (i) raw water area, (ii) +a power law "calculated volume" proxy, (iii) +six river geometry metrics, and (iv) +full supply elevation. Five candidate algorithms, Gradient Boosting (GB), Random Forest (RF), Ridge (RI), Lasso (LA) and Elastic Net (EN), were tuned using a 20 draw random search and assessed with a five fold Timeseries Split to eliminate look ahead bias. Prediction errors were decomposed into two regimes: Low (<250 x 10^6 cubic meters) and High (>250 x 10^6 cubic meters) storage regimes. Ridge regression achieved the lowest cross validated RMSE (12.3 x 10^6 cubic meters), outperforming GB by 16% and RF by 7%. In regime terms, Ridge was superior in the Low band (18.0 ver. 22.7 MCM for GB) and tied RF in the High band (~12 MCM). In sample diagnostics showed GB's apparent dominance (6.8-5.4 MCM) to be an artefact of overfitting. A Ridge meta stacked ensemble combining GB, RF, and Ridge reduced full series RMSE to ~ 11 MCM (~ 3% of live capacity). We recommend (i) GB retrained daily for routine operations, (ii) Ridge for drought early warning, and (iii) the stacked blend for all weather dashboards. Quarterly rolling retraining and regime specific metrics are advised to maintain operational accuracy below the 5% threshold mandated by the Department of Water and Sanitation.
Authors: Yujie Li, Xiangkun Wang, Xin Yang, Marcello Bonsangue, Junbo Zhang, Tianrui Li
Abstract: Open-world continual learning (OWCL) adapts to sequential tasks with open samples, learning knowledge incrementally while preventing forgetting. However, existing OWCL still requires a large amount of labeled data for training, which is often impractical in real-world applications. Given that new categories/entities typically come with limited annotations and are in small quantities, a more realistic situation is OWCL with scarce labeled data, i.e., few-shot training samples. Hence, this paper investigates the problem of open-world few-shot continual learning (OFCL), challenging in (i) learning unbounded tasks without forgetting previous knowledge and avoiding overfitting, (ii) constructing compact decision boundaries for open detection with limited labeled data, and (iii) transferring knowledge about knowns and unknowns and even update the unknowns to knowns once the labels of open samples are learned. In response, we propose a novel OFCL framework that integrates three key components: (1) an instance-wise token augmentation (ITA) that represents and enriches sample representations with additional knowledge, (2) a margin-based open boundary (MOB) that supports open detection with new tasks emerge over time, and (3) an adaptive knowledge space (AKS) that endows unknowns with knowledge for the updating from unknowns to knowns. Finally, extensive experiments show that the proposed OFCL framework outperforms all baselines remarkably with practical importance and reproducibility. The source code is released at https://github.com/liyj1201/OFCL.
Authors: Harin Lee, Min-hwan Oh
Abstract: In our quest for a reinforcement learning (RL) algorithm that is both practical and provably optimal, we introduce EQO (Exploration via Quasi-Optimism). Unlike existing minimax optimal approaches, EQO avoids reliance on empirical variances and employs a simple bonus term proportional to the inverse of the state-action visit count. Central to EQO is the concept of quasi-optimism, where estimated values need not be fully optimistic, allowing for a simpler yet effective exploration strategy. The algorithm achieves the sharpest known regret bound for tabular RL under the mildest assumptions, proving that fast convergence can be attained with a practical and computationally efficient approach. Empirical evaluations demonstrate that EQO consistently outperforms existing algorithms in both regret performance and computational efficiency, providing the best of both theoretical soundness and practical effectiveness.
Authors: Gaurav Patel, Qiang Qiu
Abstract: Machine Unlearning has recently garnered significant attention, aiming to selectively remove knowledge associated with specific data while preserving the model's performance on the remaining data. A fundamental challenge in this process is balancing effective unlearning with knowledge retention, as naive optimization of these competing objectives can lead to conflicting gradients, hindering convergence and degrading overall performance. To address this issue, we propose Learning to Unlearn while Retaining, aimed to mitigate gradient conflicts between unlearning and retention objectives. Our approach strategically avoids conflicts through an implicit gradient regularization mechanism that emerges naturally within the proposed framework. This prevents conflicting gradients between unlearning and retention, leading to effective unlearning while preserving the model's utility. We validate our approach across both discriminative and generative tasks, demonstrating its effectiveness in achieving unlearning without compromising performance on remaining data. Our results highlight the advantages of avoiding such gradient conflicts, outperforming existing methods that fail to account for these interactions.
Authors: Max Simchowitz, Daniel Pfrommer, Ali Jadbabaie
Abstract: We study the problem of imitating an expert demonstrator in a discrete-time, continuous state-and-action control system. We show that, even if the dynamics satisfy a control-theoretic property called exponential stability (i.e. the effects of perturbations decay exponentially quickly), and the expert is smooth and deterministic, any smooth, deterministic imitator policy necessarily suffers error on execution that is exponentially larger, as a function of problem horizon, than the error under the distribution of expert training data. Our negative result applies to any algorithm which learns solely from expert data, including both behavior cloning and offline-RL algorithms, unless the algorithm produces highly "improper" imitator policies--those which are non-smooth, non-Markovian, or which exhibit highly state-dependent stochasticity--or unless the expert trajectory distribution is sufficiently "spread." We provide experimental evidence of the benefits of these more complex policy parameterizations, explicating the benefits of today's popular policy parameterizations in robot learning (e.g. action-chunking and diffusion policies). We also establish a host of complementary negative and positive results for imitation in control systems.
Authors: Matteo Gambella, Fabrizio Pittorino, Manuel Roveri
Abstract: Neural Architecture Search (NAS) has become an essential tool for designing effective and efficient neural networks. In this paper, we investigate the geometric properties of neural architecture spaces commonly used in differentiable NAS methods, specifically NAS-Bench-201 and DARTS. By defining flatness metrics such as neighborhoods and loss barriers along paths in architecture space, we reveal locality and flatness characteristics analogous to the well-known properties of neural network loss landscapes in weight space. In particular, we find that highly accurate architectures cluster together in flat regions, while suboptimal architectures remain isolated, unveiling the detailed geometrical structure of the architecture search landscape. Building on these insights, we propose Architecture-Aware Minimization (A$^2$M), a novel analytically derived algorithmic framework that explicitly biases, for the first time, the gradient of differentiable NAS methods towards flat minima in architecture space. A$^2$M consistently improves generalization over state-of-the-art DARTS-based algorithms on benchmark datasets including CIFAR-10, CIFAR-100, and ImageNet16-120, across both NAS-Bench-201 and DARTS search spaces. Notably, A$^2$M is able to increase the test accuracy, on average across different differentiable NAS methods, by +3.60\% on CIFAR-10, +4.60\% on CIFAR-100, and +3.64\% on ImageNet16-120, demonstrating its superior effectiveness in practice. A$^2$M can be easily integrated into existing differentiable NAS frameworks, offering a versatile tool for future research and applications in automated machine learning. We open-source our code at https://github.com/AI-Tech-Research-Lab/AsquaredM.
Authors: Abir Harrasse, Philip Quirke, Clement Neo, Dhruv Nathawani, Luke Marks, Amir Abdullah
Abstract: Mechanistic interpretability research faces a gap between analyzing simple circuits in toy tasks and discovering features in large models. To bridge this gap, we propose text-to-SQL generation as an ideal task to study, as it combines the formal structure of toy tasks with real-world complexity. We introduce TinySQL, a synthetic dataset, progressing from basic to advanced SQL operations, and train models ranging from 33M to 1B parameters to establish a comprehensive testbed for interpretability. We apply multiple complementary interpretability techniques, including Edge Attribution Patching and Sparse Autoencoders, to identify minimal circuits and components supporting SQL generation. We compare circuits for different SQL subskills, evaluating their minimality, reliability, and identifiability. Finally, we conduct a layerwise logit lens analysis to reveal how models compose SQL queries across layers: from intent recognition to schema resolution to structured generation. Our work provides a robust framework for probing and comparing interpretability methods in a structured, progressively complex setting.
Authors: Fadi Alharbi, Nishant Budhiraja, Aleksandar Vakanski, Boyu Zhang, Murtada K. Elbashir, Harshith Guduru, Mohanad Mohammed
Abstract: The integration of heterogeneous multi-omics datasets at a systems level remains a central challenge for developing analytical and computational models in precision cancer diagnostics. This paper introduces Multi-Omics Graph Kolmogorov-Arnold Network (MOGKAN), a deep learning framework that utilizes messenger-RNA, micro-RNA sequences, and DNA methylation samples together with Protein-Protein Interaction (PPI) networks for cancer classification across 31 different cancer types. The proposed approach combines differential gene expression with DESeq2, Linear Models for Microarray (LIMMA), and Least Absolute Shrinkage and Selection Operator (LASSO) regression to reduce multi-omics data dimensionality while preserving relevant biological features. The model architecture is based on the Kolmogorov-Arnold theorem principle and uses trainable univariate functions to enhance interpretability and feature analysis. MOGKAN achieves classification accuracy of 96.28 percent and exhibits low experimental variability in comparison to related deep learning-based models. The biomarkers identified by MOGKAN were validated as cancer-related markers through Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis. By integrating multi-omics data with graph-based deep learning, our proposed approach demonstrates robust predictive performance and interpretability with potential to enhance the translation of complex multi-omics data into clinically actionable cancer diagnostics.
Authors: Hansaka Aluvihare, Levi Lingsch, Xianqi Li, Sirani M. Perera
Abstract: Data-driven learning is rapidly evolving and places a new perspective on realizing state-space dynamical systems. However, dynamical systems derived from nonlinear ordinary differential equations (ODEs) suffer from limitations in computational efficiency. Thus, this paper stems from data-driven learning to advance states of dynamical systems utilizing a structured neural network (StNN). The proposed learning technique also seeks to identify an optimal, low-complexity operator to solve dynamical systems, the so-called Hankel operator, derived from time-delay measurements. Thus, we utilize the StNN based on the Hankel operator to solve dynamical systems as an alternative to existing data-driven techniques. We show that the proposed StNN reduces the number of parameters and computational complexity compared with the conventional neural networks and also with the classical data-driven techniques, such as Sparse Identification of Nonlinear Dynamics (SINDy) and Hankel Alternative view of Koopman (HAVOK), which is commonly known as delay-Dynamic Mode Decomposition(DMD) or Hankel-DMD. More specifically, we present numerical simulations to solve dynamical systems utilizing the StNN based on the Hankel operator beginning from the fundamental Lotka-Volterra model, where we compare the StNN with the LEarning Across Dynamical Systems (LEADS), and extend our analysis to highly nonlinear and chaotic Lorenz systems, comparing the StNN with conventional neural networks, SINDy, and HAVOK. Hence, we show that the proposed StNN paves the way for realizing state-space dynamical systems with a low-complexity learning algorithm, enabling prediction and understanding of future states.
Authors: Songyang Liu, Muyang Fan, Weizi Li, Jing Du, Shuai Li
Abstract: Traffic congestion remains a significant challenge in modern urban networks. Autonomous driving technologies have emerged as a potential solution. Among traffic control methods, reinforcement learning has shown superior performance over traffic signals in various scenarios. However, prior research has largely focused on small-scale networks or isolated intersections, leaving large-scale mixed traffic control largely unexplored. This study presents the first attempt to use decentralized multi-agent reinforcement learning for large-scale mixed traffic control in which some intersections are managed by traffic signals and others by robot vehicles. Evaluating a real-world network in Colorado Springs, CO, USA with 14 intersections, we measure traffic efficiency via average waiting time of vehicles at intersections and the number of vehicles reaching their destinations within a time window (i.e., throughput). At 80% RV penetration rate, our method reduces waiting time from 6.17s to 5.09s and increases throughput from 454 vehicles per 500 seconds to 493 vehicles per 500 seconds, outperforming the baseline of fully signalized intersections. These findings suggest that integrating reinforcement learning-based control large-scale traffic can improve overall efficiency and may inform future urban planning strategies.
Authors: Chandra Raskoti, Iftekharul Islam, Xuan Wang, Weizi Li
Abstract: Accurate vehicle trajectory prediction is critical for safe and efficient autonomous driving, especially in mixed traffic environments when both human-driven and autonomous vehicles co-exist. However, uncertainties introduced by inherent driving behaviors -- such as acceleration, deceleration, and left and right maneuvers -- pose significant challenges for reliable trajectory prediction. We introduce a Maneuver-Intention-Aware Transformer (MIAT) architecture, which integrates a maneuver intention awareness control mechanism with spatiotemporal interaction modeling to enhance long-horizon trajectory predictions. We systematically investigate the impact of varying awareness of maneuver intention on both short- and long-horizon trajectory predictions. Evaluated on the real-world NGSIM dataset and benchmarked against various transformer- and LSTM-based methods, our approach achieves an improvement of up to 4.7% in short-horizon predictions and a 1.6% in long-horizon predictions compared to other intention-aware benchmark methods. Moreover, by leveraging intention awareness control mechanism, MIAT realizes an 11.1% performance boost in long-horizon predictions, with a modest drop in short-horizon performance. The source code and datasets are available at https://github.com/cpraskoti/MIAT.
Authors: John Chidiac, Danielle Azar
Abstract: Activation functions have been shown to affect the performance of deep neural networks significantly. While the Rectified Linear Unit (ReLU) remains the dominant choice in practice, the optimal activation function for deep neural networks remains an open research question. In this paper, we propose a novel parametric activation function, ReCA, based on ReLU, which has been shown to outperform all baselines on state-of-the-art datasets using different complex neural network architectures.
Authors: Tien Comlekoglu, J. Quetzalc\'oatl Toledo-Mar\'in, Tina Comlekoglu, Douglas W. DeSimone, Shayn M. Peirce, Geoffrey Fox, James A. Glazier
Abstract: The Cellular-Potts model is a powerful and ubiquitous framework for developing computational models for simulating complex multicellular biological systems. Cellular-Potts models (CPMs) are often computationally expensive due to the explicit modeling of interactions among large numbers of individual model agents and diffusive fields described by partial differential equations (PDEs). In this work, we develop a convolutional neural network (CNN) surrogate model using a U-Net architecture that accounts for periodic boundary conditions. We use this model to accelerate the evaluation of a mechanistic CPM previously used to investigate in vitro vasculogenesis. The surrogate model was trained to predict 100 computational steps ahead (Monte-Carlo steps, MCS), accelerating simulation evaluations by a factor of 590 times compared to CPM code execution. Over multiple recursive evaluations, our model effectively captures the emergent behaviors demonstrated by the original Cellular-Potts model of such as vessel sprouting, extension and anastomosis, and contraction of vascular lacunae. This approach demonstrates the potential for deep learning to serve as efficient surrogate models for CPM simulations, enabling faster evaluation of computationally expensive CPM of biological processes at greater spatial and temporal scales.
Authors: Yiming Zhang, Koji Tsuda
Abstract: Nanobodies -- single-domain antibody fragments derived from camelid heavy-chain-only antibodies -- exhibit unique advantages such as compact size, high stability, and strong binding affinity, making them valuable tools in therapeutics and diagnostics. While recent advances in pretrained protein and antibody language models (PPLMs and PALMs) have greatly enhanced biomolecular understanding, nanobody-specific modeling remains underexplored and lacks a unified benchmark. To address this gap, we introduce NbBench, the first comprehensive benchmark suite for nanobody representation learning. Spanning eight biologically meaningful tasks across nine curated datasets, NbBench encompasses structure annotation, binding prediction, and developability assessment. We systematically evaluate eleven representative models -- including general-purpose protein LMs, antibody-specific LMs, and nanobody-specific LMs -- in a frozen setting. Our analysis reveals that antibody language models excel in antigen-related tasks, while performance on regression tasks such as thermostability and affinity remains challenging across all models. Notably, no single model consistently outperforms others across all tasks. By standardizing datasets, task definitions, and evaluation protocols, NbBench offers a reproducible foundation for assessing and advancing nanobody modeling.
Authors: Jonathan Viquerat, Paul Garnier, Amirhossein Bateni, Elie Hachem
Abstract: Dragonfly is a deep reinforcement learning library focused on modularity, in order to ease experimentation and developments. It relies on a json serialization that allows to swap building blocks and perform parameter sweep, while minimizing code maintenance. Some of its features are specifically designed for CPU-intensive environments, such as numerical simulations. Its performance on standard agents using common benchmarks compares favorably with the literature.
Authors: Junhao Xiong, Hunter Nisonoff, Maria Lukarska, Ishan Gaur, Luke M. Oltrogge, David F. Savage, Jennifer Listgarten
Abstract: Generative machine learning models on sequences are transforming protein engineering. However, no principled framework exists for conditioning these models on auxiliary information, such as experimental data, in a plug-and-play manner. Herein, we present ProteinGuide -- a principled and general method for conditioning -- by unifying a broad class of protein generative models under a single framework. We demonstrate the applicability of ProteinGuide by guiding two protein generative models, ProteinMPNN and ESM3, to generate amino acid and structure token sequences, conditioned on several user-specified properties such as enhanced stability, enzyme classes, and CATH-labeled folds. We also used ProteinGuide with inverse folding models and our own experimental assay to design adenine base editor sequences for high activity.
Authors: Jinuk Kim, Marwa El Halabi, Wonpyo Park, Clemens JS Schaefer, Deokjae Lee, Yeonhong Park, Jae W. Lee, Hyun Oh Song
Abstract: Post-training quantization is a key technique for reducing the memory and inference latency of large language models by quantizing weights and activations without requiring retraining. However, existing methods either (1) fail to account for the varying importance of hidden features to the end loss or, when incorporating end loss, (2) neglect the critical interactions between model weights. To address these limitations, we propose GuidedQuant, a novel quantization approach that integrates gradient information from the end loss into the quantization objective while preserving cross-weight dependencies within output channels. GuidedQuant consistently boosts the performance of state-of-the-art quantization methods across weight-only scalar, weight-only vector, and weight-and-activation quantization. Additionally, we introduce a novel non-uniform scalar quantization algorithm, which is guaranteed to monotonically decrease the quantization objective value, and outperforms existing methods in this category. We release the code at https://github.com/snu-mllab/GuidedQuant.
Authors: Matteo Gambella, Manuel Roveri
Abstract: Incremental learning is a machine learning paradigm where a model learns from a sequential stream of tasks. This setting poses a key challenge: balancing plasticity (learning new tasks) and stability (preserving past knowledge). Neural Architecture Search (NAS), a branch of AutoML, automates the design of the architecture of Deep Neural Networks and has shown success in static settings. However, existing NAS-based approaches to incremental learning often rely on expanding the model at every task, making them impractical in resource-constrained environments. In this work, we introduce SEAL, a NAS-based framework tailored for data-incremental learning, a scenario where disjoint data samples arrive sequentially and are not stored for future access. SEAL adapts the model structure dynamically by expanding it only when necessary, based on a capacity estimation metric. Stability is preserved through cross-distillation training after each expansion step. The NAS component jointly searches for both the architecture and the optimal expansion policy. Experiments across multiple benchmarks demonstrate that SEAL effectively reduces forgetting and enhances accuracy while maintaining a lower model size compared to prior methods. These results highlight the promise of combining NAS and selective expansion for efficient, adaptive learning in incremental scenarios.
Authors: Zhenglun Kong, Yize Li, Fanhu Zeng, Lei Xin, Shvat Messica, Xue Lin, Pu Zhao, Manolis Kellis, Hao Tang, Marinka Zitnik
Abstract: In Transformer architectures, tokens\textemdash discrete units derived from raw data\textemdash are formed by segmenting inputs into fixed-length chunks. Each token is then mapped to an embedding, enabling parallel attention computations while preserving the input's essential information. Due to the quadratic computational complexity of transformer self-attention mechanisms, token reduction has primarily been used as an efficiency strategy. This is especially true in single vision and language domains, where it helps balance computational costs, memory usage, and inference latency. Despite these advances, this paper argues that token reduction should transcend its traditional efficiency-oriented role in the era of large generative models. Instead, we position it as a fundamental principle in generative modeling, critically influencing both model architecture and broader applications. Specifically, we contend that across vision, language, and multimodal systems, token reduction can: (i) facilitate deeper multimodal integration and alignment, (ii) mitigate "overthinking" and hallucinations, (iii) maintain coherence over long inputs, and (iv) enhance training stability, etc. We reframe token reduction as more than an efficiency measure. By doing so, we outline promising future directions, including algorithm design, reinforcement learning-guided token reduction, token optimization for in-context learning, and broader ML and scientific domains. We highlight its potential to drive new model architectures and learning strategies that improve robustness, increase interpretability, and better align with the objectives of generative modeling.
Authors: Jie Hu, Yi-Ting Ma, Do Young Eun
Abstract: We propose a history-driven target (HDT) framework in Markov Chain Monte Carlo (MCMC) to improve any random walk algorithm on discrete state spaces, such as general undirected graphs, for efficient sampling from target distribution $\boldsymbol{\mu}$. With broad applications in network science and distributed optimization, recent innovations like the self-repellent random walk (SRRW) achieve near-zero variance by prioritizing under-sampled states through transition kernel modifications based on past visit frequencies. However, SRRW's reliance on explicit computation of transition probabilities for all neighbors at each step introduces substantial computational overhead, while its strict dependence on time-reversible Markov chains excludes advanced non-reversible MCMC methods. To overcome these limitations, instead of direct modification of transition kernel, HDT introduces a history-dependent target distribution $\boldsymbol{\pi}[\mathbf{x}]$ to replace the original target $\boldsymbol{\mu}$ in any graph sampler, where $\mathbf{x}$ represents the empirical measure of past visits. This design preserves lightweight implementation by requiring only local information between the current and proposed states and achieves compatibility with both reversible and non-reversible MCMC samplers, while retaining unbiased samples with target distribution $\boldsymbol{\mu}$ and near-zero variance performance. Extensive experiments in graph sampling demonstrate consistent performance gains, and a memory-efficient Least Recently Used (LRU) cache ensures scalability to large general graphs.
Authors: Xingjian Wu, Xiangfei Qiu, Hongfan Gao, Jilin Hu, Bin Yang, Chenjuan Guo
Abstract: Probabilistic Time Series Forecasting (PTSF) plays a crucial role in decision-making across various fields, including economics, energy, and transportation. Most existing methods excell at short-term forecasting, while overlooking the hurdles of Long-term Probabilistic Time Series Forecasting (LPTSF). As the forecast horizon extends, the inherent nonlinear dynamics have a significant adverse effect on prediction accuracy, and make generative models inefficient by increasing the cost of each iteration. To overcome these limitations, we introduce $K^2$VAE, an efficient VAE-based generative model that leverages a KoopmanNet to transform nonlinear time series into a linear dynamical system, and devises a KalmanNet to refine predictions and model uncertainty in such linear system, which reduces error accumulation in long-term forecasting. Extensive experiments demonstrate that $K^2$VAE outperforms state-of-the-art methods in both short- and long-term PTSF, providing a more efficient and accurate solution.
Authors: Tim Walter, Hannah Markgraf, Jonathan K\"ulz, Matthias Althoff
Abstract: The deployment of autonomous robots in safety-critical applications requires safety guarantees. Provably safe reinforcement learning is an active field of research that aims to provide such guarantees using safeguards. These safeguards should be integrated during training to reduce the sim-to-real gap. While there are several approaches for safeguarding sampling-based reinforcement learning, analytic gradient-based reinforcement learning often achieves superior performance from fewer environment interactions. However, there is no safeguarding approach for this learning paradigm yet. Our work addresses this gap by developing the first effective safeguard for analytic gradient-based reinforcement learning. We analyse existing, differentiable safeguards, adapt them through modified mappings and gradient formulations, and integrate them with a state-of-the-art learning algorithm and a differentiable simulation. Using numerical experiments on three control tasks, we evaluate how different safeguards affect learning. The results demonstrate safeguarded training without compromising performance.
Authors: Zhan Zhuang, Xiequn Wang, Wei Li, Yulong Zhang, Qiushi Huang, Shuhao Chen, Xuehao Wang, Yanbin Wei, Yuhe Nie, Kede Ma, Yu Zhang, Ying Wei
Abstract: Low-rank adaptation (LoRA) has emerged as a leading parameter-efficient fine-tuning technique for adapting large foundation models, yet it often locks adapters into suboptimal minima near their initialization. This hampers model generalization and limits downstream operators such as adapter merging and pruning. Here, we propose CoTo, a progressive training strategy that gradually increases adapters' activation probability over the course of fine-tuning. By stochastically deactivating adapters, CoTo encourages more balanced optimization and broader exploration of the loss landscape. We provide a theoretical analysis showing that CoTo promotes layer-wise dropout stability and linear mode connectivity, and we adopt a cooperative-game approach to quantify each adapter's marginal contribution. Extensive experiments demonstrate that CoTo consistently boosts single-task performance, enhances multi-task merging accuracy, improves pruning robustness, and reduces training overhead, all while remaining compatible with diverse LoRA variants. Code is available at https://github.com/zwebzone/coto.
Authors: Kenric Nelson, Igor Oliveira, Amenah Al-Najafi, Fode Zhang, Hon Keung Tony Ng
Abstract: We introduce an optimization framework for variational inference based on the coupled free energy, extending variational inference techniques to account for the curved geometry of the coupled exponential family. This family includes important heavy-tailed distributions such as the generalized Pareto and the Student's t. By leveraging the coupled free energy, which is equal to the coupled evidence lower bound (ELBO) of the inverted probabilities, we improve the accuracy and robustness of the learned model. The coupled generalization of Fisher Information metric and the affine connection. The method is applied to the design of a coupled variational autoencoder (CVAE). By using the coupling for both the distributions and cost functions, the reconstruction metric is derived to still be the mean-square average loss with modified constants. The novelty comes from sampling the heavy-tailed latent distribution with its associated coupled probability, which has faster decaying tails. The result is the ability to train a model robust against severe outliers, while assuring that the training process is stable. The Wasserstein-2 or Fr\'echet Inception Distance of the reconstructed CelebA images shows the CVAE has a 3\% improvement over the VAE after 5 epochs of training.
Authors: Chen-Chia Chang, Wan-Hsuan Lin, Yikang Shen, Yiran Chen, Xin Zhang
Abstract: Automation of analog topology design is crucial due to customized requirements of modern applications with heavily manual engineering efforts. The state-of-the-art work applies a sequence-to-sequence approach and supervised finetuning on language models to generate topologies given user specifications. However, its circuit formulation is inefficient due to O(|V |2) token length and suffers from low precision sensitivity to numeric inputs. In this work, we introduce LaMAGIC2, a succinct float-input canonical formulation with identifier (SFCI) for language model-based analog topology generation. SFCI addresses these challenges by improving component-type recognition through identifier-based representations, reducing token length complexity to O(|V |), and enhancing numeric precision sensitivity for better performance under tight tolerances. Our experiments demonstrate that LaMAGIC2 achieves 34% higher success rates under a tight tolerance of 0.01 and 10X lower MSEs compared to a prior method. LaMAGIC2 also exhibits better transferability for circuits with more vertices with up to 58.5% improvement. These advancements establish LaMAGIC2 as a robust framework for analog topology generation.
Authors: Gabriel J. Perin, Runjin Chen, Xuxi Chen, Nina S. T. Hirata, Zhangyang Wang, Junyuan Hong
Abstract: Large Language Models (LLMs) have become indispensable in real-world applications. However, their widespread adoption raises significant safety concerns, particularly in responding to socially harmful questions. Despite substantial efforts to improve model safety through alignment, aligned models can still have their safety protections undermined by subsequent fine-tuning - even when the additional training data appears benign. In this paper, we empirically demonstrate that this vulnerability stems from the sensitivity of safety-critical low-rank subspaces in LLM parameters to fine-tuning. Building on this insight, we propose a novel training-free method, termed Low-Rank Extrapolation (LoX), to enhance safety robustness by extrapolating the safety subspace of an aligned LLM. Our experimental results confirm the effectiveness of LoX, demonstrating significant improvements in robustness against both benign and malicious fine-tuning attacks while preserving the model's adaptability to new tasks. For instance, LoX leads to 11% to 54% absolute reductions in attack success rates (ASR) facing benign or malicious fine-tuning attacks. By investigating the ASR landscape of parameters, we attribute the success of LoX to that the extrapolation moves LLM parameters to a flatter zone, thereby less sensitive to perturbations. The code is available at github.com/VITA-Group/LoX.
Authors: Swagatam Das
Abstract: We present a formal operator-theoretic framework for analyzing Transformer-based language models using free probability theory. By modeling token embeddings and attention mechanisms as self-adjoint operators in a tracial \( W^* \)-probability space, we reinterpret attention as non-commutative convolution and describe representation propagation via free additive convolution. This leads to a spectral dynamic system interpretation of deep Transformers. We derive entropy-based generalization bounds under freeness assumptions and provide insight into positional encoding, spectral evolution, and representational complexity. This work offers a principled, though theoretical, perspective on structural dynamics in large language models.
Authors: Dyuman Aditya, Colton Payne, Mario Leiva, Paulo Shakarian
Abstract: Recent advancements in Machine Learning (ML) have yielded powerful models capable of extracting structured information from diverse and complex data sources. However, a significant challenge lies in translating these perceptual or extractive outputs into actionable, reasoned decisions within complex operational workflows. To address these challenges, this paper introduces a novel approach that integrates the outputs from various machine learning models directly with the PyReason framework, an open-world temporal logic programming reasoning engine. PyReason's foundation in generalized annotated logic allows for the seamless incorporation of real-valued outputs (e.g., probabilities, confidence scores) from diverse ML models, treating them as truth intervals within its logical framework. Crucially, PyReason provides mechanisms, implemented in Python, to continuously poll ML model outputs, convert them into logical facts, and dynamically recompute the minimal model, ensuring real-tine adaptive decision-making. Furthermore, its native support for temporal reasoning, knowledge graph integration, and fully explainable interface traces enables sophisticated analysis over time-sensitive process data and existing organizational knowledge. By combining the strengths of perception and extraction from ML models with the logical deduction and transparency of PyReason, we aim to create a powerful system for automating complex processes. This integration finds utility across numerous domains, including manufacturing, healthcare, and business operations.
Authors: Eitan Anzenberg, Arunava Samajpati, Sivasankaran Chandrasekar, Varun Kacholia
Abstract: The use of large language models (LLMs) in hiring promises to streamline candidate screening, but it also raises serious concerns regarding accuracy and algorithmic bias where sufficient safeguards are not in place. In this work, we benchmark several state-of-the-art foundational LLMs - including models from OpenAI, Anthropic, Google, Meta, and Deepseek, and compare them with our proprietary domain-specific hiring model (Match Score) for job candidate matching. We evaluate each model's predictive accuracy (ROC AUC, Precision-Recall AUC, F1-score) and fairness (impact ratio of cut-off analysis across declared gender, race, and intersectional subgroups). Our experiments on a dataset of roughly 10,000 real-world recent candidate-job pairs show that Match Score outperforms the general-purpose LLMs on accuracy (ROC AUC 0.85 vs 0.77) and achieves significantly more equitable outcomes across demographic groups. Notably, Match Score attains a minimum race-wise impact ratio of 0.957 (near-parity), versus 0.809 or lower for the best LLMs, (0.906 vs 0.773 for the intersectionals, respectively). We discuss why pretraining biases may cause LLMs with insufficient safeguards to propagate societal biases in hiring scenarios, whereas a bespoke supervised model can more effectively mitigate these biases. Our findings highlight the importance of domain-specific modeling and bias auditing when deploying AI in high-stakes domains such as hiring, and caution against relying on off-the-shelf LLMs for such tasks without extensive fairness safeguards. Furthermore, we show with empirical evidence that there shouldn't be a dichotomy between choosing accuracy and fairness in hiring: a well-designed algorithm can achieve both accuracy in hiring and fairness in outcomes.
Authors: Steven Braun, Sahil Sidheekh, Antonio Vergari, Martin Mundt, Sriraam Natarajan, Kristian Kersting
Abstract: Probabilistic circuits (PCs) are powerful probabilistic models that enable exact and tractable inference, making them highly suitable for probabilistic reasoning and inference tasks. While dominant in neural networks, representation learning with PCs remains underexplored, with prior approaches relying on external neural embeddings or activation-based encodings. To address this gap, we introduce autoencoding probabilistic circuits (APCs), a novel framework leveraging the tractability of PCs to model probabilistic embeddings explicitly. APCs extend PCs by jointly modeling data and embeddings, obtaining embedding representations through tractable probabilistic inference. The PC encoder allows the framework to natively handle arbitrary missing data and is seamlessly integrated with a neural decoder in a hybrid, end-to-end trainable architecture enabled by differentiable sampling. Our empirical evaluation demonstrates that APCs outperform existing PC-based autoencoding methods in reconstruction quality, generate embeddings competitive with, and exhibit superior robustness in handling missing data compared to neural autoencoders. These results highlight APCs as a powerful and flexible representation learning method that exploits the probabilistic inference capabilities of PCs, showing promising directions for robust inference, out-of-distribution detection, and knowledge distillation.
Authors: Eric Xing, Mingkai Deng, Jinyu Hou, Zhiting Hu
Abstract: World Model, the supposed algorithmic surrogate of the real-world environment which biological agents experience with and act upon, has been an emerging topic in recent years because of the rising needs to develop virtual agents with artificial (general) intelligence. There has been much debate on what a world model really is, how to build it, how to use it, and how to evaluate it. In this essay, starting from the imagination in the famed Sci-Fi classic Dune, and drawing inspiration from the concept of "hypothetical thinking" in psychology literature, we offer critiques of several schools of thoughts on world modeling, and argue the primary goal of a world model to be simulating all actionable possibilities of the real world for purposeful reasoning and acting. Building on the critiques, we propose a new architecture for a general-purpose world model, based on hierarchical, multi-level, and mixed continuous/discrete representations, and a generative and self-supervision learning framework, with an outlook of a Physical, Agentic, and Nested (PAN) AGI system enabled by such a model.
Authors: Chuhang Zheng, Chunwei Tian, Jie Wen, Daoqiang Zhang, Qi Zhu
Abstract: Multi-modal emotion recognition has garnered increasing attention as it plays a significant role in human-computer interaction (HCI) in recent years. Since different discrete emotions may exist at the same time, compared with single-class emotion recognition, emotion distribution learning (EDL) that identifies a mixture of basic emotions has gradually emerged as a trend. However, existing EDL methods face challenges in mining the heterogeneity among multiple modalities. Besides, rich semantic correlations across arbitrary basic emotions are not fully exploited. In this paper, we propose a multi-modal emotion distribution learning framework, named HeLo, aimed at fully exploring the heterogeneity and complementary information in multi-modal emotional data and label correlation within mixed basic emotions. Specifically, we first adopt cross-attention to effectively fuse the physiological data. Then, an optimal transport (OT)-based heterogeneity mining module is devised to mine the interaction and heterogeneity between the physiological and behavioral representations. To facilitate label correlation learning, we introduce a learnable label embedding optimized by correlation matrix alignment. Finally, the learnable label embeddings and label correlation matrices are integrated with the multi-modal representations through a novel label correlation-driven cross-attention mechanism for accurate emotion distribution learning. Experimental results on two publicly available datasets demonstrate the superiority of our proposed method in emotion distribution learning.
Authors: Ruohong Liu, Jack Umenberger, Yize Chen
Abstract: Recent years have seen significant advancements in designing reinforcement learning (RL)-based agents for building energy management. While individual success is observed in simulated or controlled environments, the scalability of RL approaches in terms of efficiency and generalization across building dynamics and operational scenarios remains an open question. In this work, we formally characterize the generalization space for the cross-environment, multi-objective building energy management task, and formulate the multi-objective contextual RL problem. Such a formulation helps understand the challenges of transferring learned policies across varied operational contexts such as climate and heat convection dynamics under multiple control objectives such as comfort level and energy consumption. We provide a principled way to parameterize such contextual information in realistic building RL environments, and construct a novel benchmark to facilitate the evaluation of generalizable RL algorithms in practical building control tasks. Our results show that existing multi-objective RL methods are capable of achieving reasonable trade-offs between conflicting objectives. However, their performance degrades under certain environment variations, underscoring the importance of incorporating dynamics-dependent contextual information into the policy learning process.
Authors: Thomas T. Zhang, Daniel Pfrommer, Nikolai Matni, Max Simchowitz
Abstract: We study the problem of imitating an expert demonstrator in a continuous state-and-action dynamical system. While imitation learning in discrete settings such as autoregressive language modeling has seen immense success and popularity in recent years, imitation in physical settings such as autonomous driving and robot learning has proven comparably more complex due to the compounding errors problem, often requiring elaborate set-ups to perform stably. Recent work has demonstrated that even in benign settings, exponential compounding errors are unavoidable when learning solely from expert-controlled trajectories, suggesting the need for more advanced policy parameterizations or data augmentation. To this end, we present minimal interventions that provably mitigate compounding errors in continuous state-and-action imitation learning. When the system is open-loop stable, we prescribe "action chunking," i.e., predicting and playing sequences of actions in open-loop; when the system is possibly unstable, we prescribe "noise injection," i.e., adding noise during expert demonstrations. These interventions align with popular choices in modern robot learning, though the benefits we derive are distinct from the effects they were designed to target. Our results draw insights and tools from both control theory and reinforcement learning; however, our analysis reveals novel considerations that do not naturally arise when either literature is considered in isolation.
Authors: Amit Attia, Matan Schliserman, Uri Sherman, Tomer Koren
Abstract: We study population convergence guarantees of stochastic gradient descent (SGD) for smooth convex objectives in the interpolation regime, where the noise at optimum is zero or near zero. The behavior of the last iterate of SGD in this setting -- particularly with large (constant) stepsizes -- has received growing attention in recent years due to implications for the training of over-parameterized models, as well as to analyzing forgetting in continual learning and to understanding the convergence of the randomized Kaczmarz method for solving linear systems. We establish that after $T$ steps of SGD on $\beta$-smooth convex loss functions with stepsize $0 < \eta < 2/\beta$, the last iterate exhibits expected excess risk $\widetilde{O}(\frac{1}{\eta (2-\beta \eta) T^{1-\beta\eta/2}} + \frac{\eta}{(2-\beta\eta)^2} T^{\beta\eta/2} \sigma_\star^2)$, where $\sigma_\star^2$ denotes the variance of the stochastic gradients at the optimum. In particular, for a well-tuned stepsize we obtain a near optimal $\widetilde{O}(1/T + \sigma_\star/\sqrt{T})$ rate for the last iterate, extending the results of Varre et al. (2021) beyond least squares regression; and when $\sigma_\star=0$ we obtain a rate of $\smash{O(1/\sqrt T)}$ with $\eta=1/\beta$, improving upon the best-known $\smash{O(T^{-1/4})}$ rate recently established by Evron et al. (2025) in the special case of realizable linear regression.
Authors: Yao Feng, Hengkai Tan, Xinyi Mao, Guodong Liu, Shuhe Huang, Chendong Xiang, Hang Su, Jun Zhu
Abstract: Bimanual robotic manipulation, which involves the coordinated control of two robotic arms, is foundational for solving challenging tasks. Despite recent progress in general-purpose manipulation, data scarcity and embodiment heterogeneity remain serious obstacles to further scaling up in bimanual settings. In this paper, we introduce Video Diffusion for Action Reasoning (Vidar), a two-stage framework that leverages large-scale, diffusion-based video pre-training and a novel masked inverse dynamics model for action prediction. We pre-train the video diffusion model on 750K multi-view videos from three real-world bimanual robot platforms, utilizing a unified observation space that encodes robot, camera, task, and scene contexts. Our masked inverse dynamics model learns masks to extract action-relevant information from generated trajectories without requiring pixel-level labels, and the masks can effectively generalize to unseen backgrounds. Our experiments demonstrate that with only 20 minutes of human demonstrations on an unseen robot platform (only 1% of typical data requirements), Vidar generalizes to unseen tasks and backgrounds with strong semantic understanding, surpassing state-of-the-art methods. Our findings highlight the potential of video foundation models, coupled with masked action prediction, to enable scalable and generalizable robotic manipulation in diverse real-world settings.
Authors: Defeng Liu, Ying Liu, Carson Eisenach
Abstract: In this work, we study how to efficiently apply reinforcement learning (RL) for solving large-scale stochastic optimization problems by leveraging intervention models. The key of the proposed methodology is to better explore the solution space by simulating and composing the stochastic processes using pre-trained deep learning (DL) models. We demonstrate our approach on a challenging real-world application, the multi-sourcing multi-period inventory management problem in supply chain optimization. In particular, we employ deep RL models for learning and forecasting the stochastic supply chain processes under a range of assumptions. Moreover, we also introduce a constraint coordination mechanism, designed to forecast dual costs given the cross-products constraints in the inventory network. We highlight that instead of directly modeling the complex physical constraints into the RL optimization problem and solving the stochastic problem as a whole, our approach breaks down those supply chain processes into scalable and composable DL modules, leading to improved performance on large real-world datasets. We also outline open problems for future research to further investigate the efficacy of such models.
Authors: Giorgio Roffo
Abstract: The self-attention mechanism, now central to deep learning architectures such as Transformers, is a modern instance of a more general computational principle: learning and using pairwise affinity matrices to control how information flows through a model. This paper traces the conceptual origins of self-attention across multiple domains, including computer vision, natural language processing, and graph learning, through their shared reliance on an affinity matrix, denoted as A. We highlight Infinite Feature Selection (Inf-FS) as a foundational approach that generalizes the idea of affinity-based weighting. Unlike the fixed dot-product structure used in Transformers, Inf-FS defines A either through domain knowledge or by learning, and computes feature relevance through multi-hop propagation over the affinity graph. From this perspective, self-attention can be seen as a special case of Inf-FS: it uses a single-hop affinity computation where A is dynamically built from token similarities. We argue that the underlying structure, reasoning over pairwise relationships, is preserved across both approaches, and the key differences lie in how the affinity matrix is defined and applied. By situating self-attention within the broader paradigm of affinity-based computation, we unify several strands of machine learning research and highlight a common mathematical foundation that underpins diverse models and tasks.
Authors: Fei Tang, Zhangxuan Gu, Zhengxi Lu, Xuyang Liu, Shuheng Shen, Changhua Meng, Wen Wang, Wenqi Zhang, Yongliang Shen, Weiming Lu, Jun Xiao, Yueting Zhuang
Abstract: Graphical User Interface (GUI) grounding maps natural language instructions to precise interface locations for autonomous interaction. Current reinforcement learning approaches use binary rewards that treat elements as hit-or-miss targets, creating sparse signals that ignore the continuous nature of spatial interactions. Motivated by human clicking behavior that naturally forms Gaussian distributions centered on target elements, we introduce GUI Gaussian Grounding Rewards (GUI-G$^2$), a principled reward framework that models GUI elements as continuous Gaussian distributions across the interface plane. GUI-G$^2$ incorporates two synergistic mechanisms: Gaussian point rewards model precise localization through exponentially decaying distributions centered on element centroids, while coverage rewards assess spatial alignment by measuring the overlap between predicted Gaussian distributions and target regions. To handle diverse element scales, we develop an adaptive variance mechanism that calibrates reward distributions based on element dimensions. This framework transforms GUI grounding from sparse binary classification to dense continuous optimization, where Gaussian distributions generate rich gradient signals that guide models toward optimal interaction positions. Extensive experiments across ScreenSpot, ScreenSpot-v2, and ScreenSpot-Pro benchmarks demonstrate that GUI-G$^2$, substantially outperforms state-of-the-art method UI-TARS-72B, with the most significant improvement of 24.7% on ScreenSpot-Pro. Our analysis reveals that continuous modeling provides superior robustness to interface variations and enhanced generalization to unseen layouts, establishing a new paradigm for spatial reasoning in GUI interaction tasks.
Authors: Andrea Alamia, Sabine Muzellec, Thomas Serre, Rufin VanRullen
Abstract: In recent years, Transformer architectures have revolutionized most fields of artificial intelligence, relying on an attentional mechanism based on the agreement between keys and queries to select and route information in the network. In previous work, we introduced a novel, brain-inspired architecture that leverages a similar implementation to achieve a global 'routing by agreement' mechanism. Such a system modulates the network's activity by matching each neuron's key with a single global query, pooled across the entire network. Acting as a global attentional system, this mechanism improves noise robustness over baseline levels but is insufficient for multi-classification tasks. Here, we improve on this work by proposing a novel mechanism that combines aspects of the Transformer attentional operations with a compelling neuroscience theory, namely, binding by synchrony. This theory proposes that the brain binds together features by synchronizing the temporal activity of neurons encoding those features. This allows the binding of features from the same object while efficiently disentangling those from distinct objects. We drew inspiration from this theory and incorporated angular phases into all layers of a convolutional network. After achieving phase alignment via Kuramoto dynamics, we use this approach to enhance operations between neurons with similar phases and suppresses those with opposite phases. We test the benefits of this mechanism on two datasets: one composed of pairs of digits and one composed of a combination of an MNIST item superimposed on a CIFAR-10 image. Our results reveal better accuracy than CNN networks, proving more robust to noise and with better generalization abilities. Overall, we propose a novel mechanism that addresses the visual binding problem in neural networks by leveraging the synergy between neuroscience and machine learning.
Authors: Matthias Fey, Jinu Sunil, Akihiro Nitta, Rishi Puri, Manan Shah, Bla\v{z} Stojanovi\v{c}, Ramona Bendias, Alexandria Barghi, Vid Kocijan, Zecheng Zhang, Xinwei He, Jan Eric Lenssen, Jure Leskovec
Abstract: PyG (PyTorch Geometric) has evolved significantly since its initial release, establishing itself as a leading framework for Graph Neural Networks. In this paper, we present Pyg 2.0 (and its subsequent minor versions), a comprehensive update that introduces substantial improvements in scalability and real-world application capabilities. We detail the framework's enhanced architecture, including support for heterogeneous and temporal graphs, scalable feature/graph stores, and various optimizations, enabling researchers and practitioners to tackle large-scale graph learning problems efficiently. Over the recent years, PyG has been supporting graph learning in a large variety of application areas, which we will summarize, while providing a deep dive into the important areas of relational deep learning and large language modeling.
Authors: Rui Wu, Nikola Kovachki, Burigede Liu
Abstract: Recent developments in mechanical, aerospace, and structural engineering have driven a growing need for efficient ways to model and analyse structures at much larger and more complex scales than before. While established numerical methods like the Finite Element Method remain reliable, they often struggle with computational cost and scalability when dealing with large and geometrically intricate problems. In recent years, neural network-based methods have shown promise because of their ability to efficiently approximate nonlinear mappings. However, most existing neural approaches are still largely limited to simple domains, which makes it difficult to apply to real-world PDEs involving complex geometries. In this paper, we propose a learning-based domain decomposition method (L-DDM) that addresses this gap. Our approach uses a single, pre-trained neural operator-originally trained on simple domains-as a surrogate model within a domain decomposition scheme, allowing us to tackle large and complicated domains efficiently. We provide a general theoretical result on the existence of neural operator approximations in the context of domain decomposition solution of abstract PDEs. We then demonstrate our method by accurately approximating solutions to elliptic PDEs with discontinuous microstructures in complex geometries, using a physics-pretrained neural operator (PPNO). Our results show that this approach not only outperforms current state-of-the-art methods on these challenging problems, but also offers resolution-invariance and strong generalization to microstructural patterns unseen during training.
Authors: Charles H Martin, Christopher Hinrichs
Abstract: We present a SemiEmpirical Theory of Learning (SETOL) that explains the remarkable performance of State-Of-The-Art (SOTA) Neural Networks (NNs). We provide a formal explanation of the origin of the fundamental quantities in the phenomenological theory of Heavy-Tailed Self-Regularization (HTSR): the heavy-tailed power-law layer quality metrics, alpha and alpha-hat. In prior work, these metrics have been shown to predict trends in the test accuracies of pretrained SOTA NN models, importantly, without needing access to either testing or training data. Our SETOL uses techniques from statistical mechanics as well as advanced methods from random matrix theory and quantum chemistry. The derivation suggests new mathematical preconditions for ideal learning, including a new metric, ERG, which is equivalent to applying a single step of the Wilson Exact Renormalization Group. We test the assumptions and predictions of SETOL on a simple 3-layer multilayer perceptron (MLP), demonstrating excellent agreement with the key theoretical assumptions. For SOTA NN models, we show how to estimate the individual layer qualities of a trained NN by simply computing the empirical spectral density (ESD) of the layer weight matrices and plugging this ESD into our SETOL formulas. Notably, we examine the performance of the HTSR alpha and the SETOL ERG layer quality metrics, and find that they align remarkably well, both on our MLP and on SOTA NNs.
Authors: Chujie Zheng, Shixuan Liu, Mingze Li, Xiong-Hui Chen, Bowen Yu, Chang Gao, Kai Dang, Yuqiong Liu, Rui Men, An Yang, Jingren Zhou, Junyang Lin
Abstract: This paper introduces Group Sequence Policy Optimization (GSPO), our stable, efficient, and performant reinforcement learning algorithm for training large language models. Unlike previous algorithms that adopt token-level importance ratios, GSPO defines the importance ratio based on sequence likelihood and performs sequence-level clipping, rewarding, and optimization. We demonstrate that GSPO achieves superior training efficiency and performance compared to the GRPO algorithm, notably stabilizes Mixture-of-Experts (MoE) RL training, and has the potential for simplifying the design of RL infrastructure. These merits of GSPO have contributed to the remarkable improvements in the latest Qwen3 models.
Authors: Xuhui Kang, Sung-Wook Lee, Haolin Liu, Yuyan Wang, Yen-Ling Kuo
Abstract: The ability to adapt to physical actions and constraints in an environment is crucial for embodied agents (e.g., robots) to effectively collaborate with humans. Such physically grounded human-AI collaboration must account for the increased complexity of the continuous state-action space and constrained dynamics caused by physical constraints. In this paper, we introduce Moving Out, a new human-AI collaboration benchmark that resembles a wide range of collaboration modes affected by physical attributes and constraints, such as moving heavy items together and maintaining consistent actions to move a big item around a corner. Using Moving Out, we designed two tasks and collected human-human interaction data to evaluate models' abilities to adapt to diverse human behaviors and unseen physical attributes. To address the challenges in physical environments, we propose a novel method, BASS (Behavior Augmentation, Simulation, and Selection), to enhance the diversity of agents and their understanding of the outcome of actions. Our experiments show that BASS outperforms state-of-the-art models in AI-AI and human-AI collaboration. The project page is available at https://live-robotics-uva.github.io/movingout_ai/.
Authors: Ruimeng Ye, Zihan Wang, Yang Xiao, Zinan Ling, Manling Li, Bo Hui
Abstract: Weak-to-Strong generalization (W2SG) is a new trend to elicit the full capabilities of a strong model with supervision from a weak model. While existing W2SG studies focus on simple tasks like binary classification, we extend this paradigm to complex interactive decision-making environments. Specifically, we fine-tune a strong model with trajectories of intermediate actions generated by a weak model. Motivated by the human learning process, we propose to generalize not only success knowledge but also failure experience so that the strong model can learn from failed trajectories accumulated by weak models. To effectively and efficiently elicit the potential of strong agents, we further construct ``trajectory trees," a hierarchical representation that organizes weak model-generated action trajectories, coupled with Monte Carlo Tree Search (MCTS) to optimize the strong model. Through theoretical analysis, we provide formal guarantees for the effectiveness of our method in improving W2SG performance. Our empirical evaluations demonstrate substantial improvements in reasoning and decision-making capabilities across diverse task domains, validating the scalability and robustness of our proposed framework.
Authors: Asaf Cohen, Onur G\"unl\"u
Abstract: Consider the problem of best arm identification with a security constraint. Specifically, assume a setup of stochastic linear bandits with $K$ arms of dimension $d$. In each arm pull, the player receives a reward that is the sum of the dot product of the arm with an unknown parameter vector and independent noise. The player's goal is to identify the best arm after $T$ arm pulls. Moreover, assume a copycat Chloe is observing the arm pulls. The player wishes to keep Chloe ignorant of the best arm. While a minimax--optimal algorithm identifies the best arm with an $\Omega\left(\frac{T}{\log(d)}\right)$ error exponent, it easily reveals its best-arm estimate to an outside observer, as the best arms are played more frequently. A naive secure algorithm that plays all arms equally results in an $\Omega\left(\frac{T}{d}\right)$ exponent. In this paper, we propose a secure algorithm that plays with \emph{coded arms}. The algorithm does not require any key or cryptographic primitives, yet achieves an $\Omega\left(\frac{T}{\log^2(d)}\right)$ exponent while revealing almost no information on the best arm.
Authors: Christina Lee Yu, Xumei Xi
Abstract: Tensor completion exhibits an interesting computational-statistical gap in terms of the number of samples needed to perform tensor estimation. While there are only $\Theta(tn)$ degrees of freedom in a $t$-order tensor with $n^t$ entries, the best known polynomial time algorithm requires $O(n^{t/2})$ samples in order to guarantee consistent estimation. In this paper, we show that weak side information is sufficient to reduce the sample complexity to $O(n)$. The side information consists of a weight vector for each of the modes which is not orthogonal to any of the latent factors along that mode; this is significantly weaker than assuming noisy knowledge of the subspaces. We provide an algorithm that utilizes this side information to produce a consistent estimator with $O(n^{1+\kappa})$ samples for any small constant $\kappa > 0$. We also provide experiments on both synthetic and real-world datasets that validate our theoretical insights.
Authors: Yin-Jen Chen, Minh Tang
Abstract: We study the classification problem for high-dimensional data with $n$ observations on $p$ features where the $p \times p$ covariance matrix $\Sigma$ exhibits a spiked eigenvalues structure and the vector $\zeta$, given by the difference between the whitened mean vectors, is sparse with sparsity at most $s$. We propose an adaptive classifier (adaptive with respect to the sparsity $s$) that first performs dimension reduction on the feature vectors prior to classification in the dimensionally reduced space, i.e., the classifier whitened the data, then screen the features by keeping only those corresponding to the $s$ largest coordinates of $\zeta$ and finally apply Fisher linear discriminant on the selected features. Leveraging recent results on entrywise matrix perturbation bounds for covariance matrices, we show that the resulting classifier is Bayes optimal whenever $n \rightarrow \infty$ and $s \sqrt{n^{-1} \ln p} \rightarrow 0$. Experimental results on real and synthetic data sets indicate that the proposed classifier is competitive with existing state-of-the-art methods while also selecting a smaller number of features.
Authors: Lijun Ding, Zhen Qin, Liwei Jiang, Jinxin Zhou, Zhihui Zhu
Abstract: This paper studies the problem of recovering a low-rank matrix from several noisy random linear measurements. We consider the setting where the rank of the ground-truth matrix is unknown a priori and use an objective function built from a rank-overspecified factored representation of the matrix variable, where the global optimal solutions overfit and do not correspond to the underlying ground truth. We then solve the associated nonconvex problem using gradient descent with small random initialization. We show that as long as the measurement operators satisfy the restricted isometry property (RIP) with its rank parameter scaling with the rank of the ground-truth matrix rather than scaling with the overspecified matrix rank, gradient descent iterations are on a particular trajectory towards the ground-truth matrix and achieve nearly information-theoretically optimal recovery when it is stopped appropriately. We then propose an efficient stopping strategy based on the common hold-out method and show that it detects a nearly optimal estimator provably. Moreover, experiments show that the proposed validation approach can also be efficiently used for image restoration with deep image prior, which over-parameterizes an image with a deep network.
Authors: Victor Rielly, Kamel Lahouel, Ethan Lew, Nicholas Fisher, Vicky Haney, Michael Wells, Bruno Jedynak
Abstract: Learning a nonparametric system of ordinary differential equations from trajectories in a $d$-dimensional state space requires learning $d$ functions of $d$ variables. Explicit formulations often scale quadratically in $d$ unless additional knowledge about system properties, such as sparsity and symmetries, is available. In this work, we propose a linear approach, the multivariate occupation kernel method (MOCK), using the implicit formulation provided by vector-valued reproducing kernel Hilbert spaces. The solution for the vector field relies on multivariate occupation kernel functions associated with the trajectories and scales linearly with the dimension of the state space. We validate through experiments on a variety of simulated and real datasets ranging from 2 to 1024 dimensions. MOCK outperforms all other comparators on 3 of the 9 datasets on full trajectory prediction and 4 out of the 9 datasets on next-point prediction.
Authors: Armando Angrisani
Abstract: We propose several algorithms for learning unitary operators from quantum statistical queries with respect to their Choi-Jamiolkowski state. Quantum statistical queries capture the capabilities of a learner with limited quantum resources, which receives as input only noisy estimates of expected values of measurements. Our approach leverages quantum statistical queries to estimate the Fourier mass of a unitary on a subset of Pauli strings, generalizing previous techniques developed for uniform quantum examples. Specifically, we show that the celebrated quantum Goldreich-Levin algorithm can be implemented with quantum statistical queries, whereas the prior version of the algorithm involves oracle access to the unitary and its inverse. As an application, we prove that quantum Boolean functions with constant total influence or with constant degree are efficiently learnable in our model. Moreover, we prove that $\mathcal{O}(\log n)$-juntas are efficiently learnable and constant-depth circuits are learnable query-efficiently with quantum statistical queries. On the other hand, all previous algorithms for these tasks demand significantly greater resources, such as oracle access to the unitary or direct access to the Choi-Jamiolkowski state. We also demonstrate that, despite these positive results, quantum statistical queries lead to an exponentially larger query complexity for certain tasks, compared to separable measurements to the Choi-Jamiolkowski state. In particular, we show an exponential lower bound for learning a class of phase-oracle unitaries and a double exponential lower bound for testing the unitarity of channels. Taken together, our results indicate that quantum statistical queries offer a unified framework for various unitary learning tasks, with potential applications in quantum machine learning, many-body physics and benchmarking of near-term devices.
Authors: Junwen Qiu, Xiao Li, Andre Milzarek
Abstract: Random reshuffling techniques are prevalent in large-scale applications, such as training neural networks. While the convergence and acceleration effects of random reshuffling-type methods are fairly well understood in the smooth setting, much less studies seem available in the nonsmooth case. In this work, we design a new normal map-based proximal random reshuffling (norm-PRR) method for nonsmooth nonconvex finite-sum problems. We show that norm-PRR achieves the iteration complexity ${\cal O}(n^{-1/3}T^{-2/3})$ where $n$ denotes the number of component functions $f(\cdot,i)$ and $T$ counts the total number of iterations. This improves the currently known complexity bounds for this class of problems by a factor of $n^{-1/3}$ in terms of the number of gradient evaluations. Additionally, we prove that norm-PRR converges linearly under the (global) Polyak-{\L}ojasiewicz condition and in the interpolation setting. We further complement these non-asymptotic results and provide an in-depth analysis of the asymptotic properties of norm-PRR. Specifically, under the (local) Kurdyka-{\L}ojasiewicz inequality, the whole sequence of iterates generated by norm-PRR is shown to converge to a single stationary point. Moreover, we derive last-iterate convergence rates that can match those in the smooth, strongly convex setting. Finally, numerical experiments are performed on nonconvex classification tasks to illustrate the efficiency of the proposed approach.
Authors: Ti Wang, Mengyuan Liu, Hong Liu, Bin Ren, Yingxuan You, Wenhao Li, Nicu Sebe, Xia Li
Abstract: Although data-driven methods have achieved success in 3D human pose estimation, they often suffer from domain gaps and exhibit limited generalization. In contrast, optimization-based methods excel in fine-tuning for specific cases but are generally inferior to data-driven methods in overall performance. We observe that previous optimization-based methods commonly rely on a projection constraint, which only ensures alignment in 2D space, potentially leading to the overfitting problem. To address this, we propose an Uncertainty-Aware testing-time Optimization (UAO) framework, which keeps the prior information of the pre-trained model and alleviates the overfitting problem using the uncertainty of joints. Specifically, during the training phase, we design an effective 2D-to-3D network for estimating the corresponding 3D pose while quantifying the uncertainty of each 3D joint. For optimization during testing, the proposed optimization framework freezes the pre-trained model and optimizes only a latent state. Projection loss is then employed to ensure the generated poses are well aligned in 2D space for high-quality optimization. Furthermore, we utilize the uncertainty of each joint to determine how much each joint is allowed for optimization. The effectiveness and superiority of the proposed framework are validated through extensive experiments on challenging datasets: Human3.6M, MPI-INF-3DHP, and 3DPW. Notably, our approach outperforms the previous best result by a large margin of 5.5\% on Human3.6M. Code is available at \href{https://github.com/xiu-cs/UAO-Pose3D}{https://github.com/xiu-cs/UAO-Pose3D}.
URLs: https://github.com/xiu-cs/UAO-Pose3D, https://github.com/xiu-cs/UAO-Pose3D
Authors: Sanqing Qu, Tianpei Zou, Florian R\"ohrbein, Cewu Lu, Guang Chen, Dacheng Tao, Changjun Jiang
Abstract: Deep neural networks often exhibit sub-optimal performance under covariate and category shifts. Source-Free Domain Adaptation (SFDA) presents a promising solution to this dilemma, yet most SFDA approaches are restricted to closed-set scenarios. In this paper, we explore Source-Free Universal Domain Adaptation (SF-UniDA) aiming to accurately classify "known" data belonging to common categories and segregate them from target-private "unknown" data. We propose a novel Global and Local Clustering (GLC) technique, which comprises an adaptive one-vs-all global clustering algorithm to discern between target classes, complemented by a local k-NN clustering strategy to mitigate negative transfer. Despite the effectiveness, the inherent closed-set source architecture leads to uniform treatment of "unknown" data, impeding the identification of distinct "unknown" categories. To address this, we evolve GLC to GLC++, integrating a contrastive affinity learning strategy. We examine the superiority of GLC and GLC++ across multiple benchmarks and category shift scenarios. Remarkably, in the most challenging open-partial-set scenarios, GLC and GLC++ surpass GATE by 16.8\% and 18.9\% in H-score on VisDA, respectively. GLC++ enhances the novel category clustering accuracy of GLC by 4.1\% in open-set scenarios on Office-Home. Furthermore, the introduced contrastive learning strategy not only enhances GLC but also significantly facilitates existing methodologies. The code is available at https://github.com/ispc-lab/GLC-plus.
Authors: Mohamed Hibat-Allah, Ejaaz Merali, Giacomo Torlai, Roger G Melko, Juan Carrasquilla
Abstract: Rydberg atom array experiments have demonstrated the ability to act as powerful quantum simulators, preparing strongly-correlated phases of matter which are challenging to study for conventional computer simulations. A key direction has been the implementation of interactions on frustrated geometries, in an effort to prepare exotic many-body states such as spin liquids and glasses. In this paper, we apply two-dimensional recurrent neural network (RNN) wave functions to study the ground states of Rydberg atom arrays on the kagome lattice. We implement an annealing scheme to find the RNN variational parameters in regions of the phase diagram where exotic phases may occur, corresponding to rough optimization landscapes. For Rydberg atom array Hamiltonians studied previously on the kagome lattice, our RNN ground states show no evidence of exotic spin liquid or emergent glassy behavior. In the latter case, we argue that the presence of a non-zero Edwards-Anderson order parameter is an artifact of the long autocorrelations times experienced with quantum Monte Carlo (QMC) simulations, and we show that autocorrelations can be systematically reduced by increasing numerical effort. This result emphasizes the utility of autoregressive models, such as RNNs, in conjunction with QMC, to explore Rydberg atom array physics on frustrated lattices and beyond.
Authors: Maximillian Chen, Ruoxi Sun, Tomas Pfister, Sercan \"O. Ar{\i}k
Abstract: Large language models (LLMs), optimized through human feedback, have rapidly emerged as a leading paradigm for developing intelligent conversational assistants. However, despite their strong performance across many benchmarks, LLM-based agents might still lack conversational skills such as disambiguation -- when they are faced with ambiguity, they often overhedge or implicitly guess users' true intents rather than asking clarification questions. Under task-specific settings, high-quality conversation samples are often limited, constituting a bottleneck for LLMs' ability to learn optimal dialogue action policies. We propose Action-Based Contrastive Self-Training (ACT), a quasi-online preference optimization algorithm based on Direct Preference Optimization (DPO), that enables data-efficient dialogue policy learning in multi-turn conversation modeling. We demonstrate ACT's efficacy under in data-efficient tuning scenarios, even when there is no action label available, using multiple real-world conversational tasks: tabular-grounded question-answering, machine reading comprehension, and AmbigSQL, a novel task for disambiguating information-seeking requests for complex SQL generation towards data analysis agents. Additionally, we propose evaluating LLMs' ability to function as conversational agents by examining whether they can implicitly recognize and reason about ambiguity in conversation. ACT demonstrates substantial conversation modeling improvements over standard tuning approaches like supervised fine-tuning and DPO.
Authors: Aleksandar Pavlovic, Emanuel Sallinger, Steven Schockaert
Abstract: Knowledge graph (KG) embedding methods learn geometric representations of entities and relations to predict plausible missing knowledge. These representations are typically assumed to capture rule-like inference patterns. However, our theoretical understanding of which inference patterns can be captured remains limited. Ideally, KG embedding methods should be expressive enough such that for any set of rules, there exist relation embeddings that exactly capture these rules. This principle has been studied within the framework of region-based embeddings, but existing models are severely limited in the kinds of rule bases that can be captured. We argue that this stems from the fact that entity embeddings are only compared in a coordinate-wise fashion. As an alternative, we propose RESHUFFLE, a simple model based on ordering constraints that can faithfully capture a much larger class of rule bases than existing approaches. Most notably, RESHUFFLE can capture bounded inference w.r.t. arbitrary sets of closed path rules. The entity embeddings in our framework can be learned by a Graph Neural Network (GNN), which effectively acts as a differentiable rule base.
Authors: Melvin Wong, Jiao Liu, Thiago Rios, Stefan Menzel, Yew Soon Ong
Abstract: This paper presents LLM2TEA, a Large Language Model (LLM) driven MultiTask Evolutionary Algorithm, representing the first agentic AI designer of its kind operating with generative evolutionary multitasking (GEM). LLM2TEA enables the crossbreeding of solutions from multiple domains, fostering novel solutions that transcend disciplinary boundaries. Of particular interest is the ability to discover designs that are both novel and conforming to real-world physical specifications. LLM2TEA comprises an LLM to generate genotype samples from text prompts describing target objects, a text-to-3D generative model to produce corresponding phenotypes, a classifier to interpret its semantic representations, and a computational simulator to assess its physical properties. Novel LLM-based multitask evolutionary operators are introduced to guide the search towards high-performing, practically viable designs. Experimental results in conceptual design optimization validate the effectiveness of LLM2TEA, showing 97% to 174% improvements in the diversity of novel designs over the current text-to-3D baseline. Moreover, over 73% of the generated designs outperform the top 1% of designs produced by the text-to-3D baseline in terms of physical performance. The designs produced by LLM2TEA are not only aesthetically creative but also functional in real-world contexts. Several of these designs have been successfully 3D printed, demonstrating the ability of our approach to transform AI-generated outputs into tangible, physical designs. These designs underscore the potential of LLM2TEA as a powerful tool for complex design optimization and discovery, capable of producing novel and physically viable designs.
Authors: Zhiqiang Cai, Anastassia Doktorova, Robert D. Falgout, C\'esar Herrera
Abstract: This paper studies the shallow Ritz method for solving one-dimensional diffusion-reaction problems. The method is capable of improving the order of approximation for non-smooth problems. By following a similar approach to the one presented in [9], we present a damped block Newton (dBN) method to achieve nearly optimal order of approximation. The dBN method optimizes the Ritz functional by alternating between the linear and non-linear parameters of the shallow ReLU neural network (NN). For diffusion-reaction problems, new difficulties arise: (1) for the linear parameters, the mass matrix is dense and even more ill-conditioned than the stiffness matrix, and (2) for the non-linear parameters, the Hessian matrix is dense and may be singular. This paper addresses these challenges, resulting in a dBN method with computational cost of ${\cal O}(n)$. The ideas presented for diffusion-reaction problems can also be applied to least-squares approximation problems. For both applications, starting with the non-linear parameters as a uniform partition, numerical experiments show that the dBN method moves the mesh points to nearly optimal locations.
Authors: Ashok S. Kumar, Nancy Nayak, Sheetal Kalyani, Himal A. Suraweera
Abstract: In this work, we propose a method for efficient resource utilization of simultaneously transmitting and reflecting reconfigurable intelligent surface (STAR-RIS) elements to ensure fair and high data rates. We introduce a subsurface assignment variable that determines the number of STAR-RIS elements allocated to each user and maximizes the sum of the data rates by jointly optimizing the phase shifts of the STAR-RIS and the subsurface assignment variables using an appropriately tailored deep reinforcement learning (DRL) algorithm. The proposed DRL method is also compared with a Dinkelbach algorithm and the designed hybrid DRL approach. A penalty term is incorporated into the DRL model to enhance resource utilization by intelligently deactivating STAR-RIS elements when not required. The proposed DRL method can achieve fair and high data rates for static and mobile users while ensuring efficient resource utilization through extensive simulations. Using the proposed DRL method, up to 27% and 21% of STAR-RIS elements can be deactivated in static and mobile scenarios, respectively, without affecting performance.
Authors: Zhiwen Mo, Lei Wang, Jianyu Wei, Zhichen Zeng, Shijie Cao, Lingxiao Ma, Naifeng Jing, Ting Cao, Jilong Xue, Fan Yang, Mao Yang
Abstract: Large Language Model (LLM) inference becomes resource-intensive, prompting a shift toward low-bit model weights to reduce the memory footprint and improve efficiency. Such low-bit LLMs necessitate the mixed-precision matrix multiplication (mpGEMM), an important yet underexplored operation involving the multiplication of lower-precision weights with higher-precision activations. Off-the-shelf hardware does not support this operation natively, leading to indirect, thus inefficient, dequantization-based implementations. In this paper, we study the lookup table (LUT)-based approach for mpGEMM and find that a conventional LUT implementation fails to achieve the promised gains. To unlock the full potential of LUT-based mpGEMM, we propose LUT Tensor Core, a software-hardware co-design for low-bit LLM inference. LUT Tensor Core differentiates itself from conventional LUT designs through: 1) software-based optimizations to minimize table precompute overhead and weight reinterpretation to reduce table storage; 2) a LUT-based Tensor Core hardware design with an elongated tiling shape to maximize table reuse and a bit-serial design to support diverse precision combinations in mpGEMM; 3) a new instruction set and compilation optimizations for LUT-based mpGEMM. LUT Tensor Core significantly outperforms existing pure software LUT implementations and achieves a 1.44$\times$ improvement in compute density and energy efficiency compared to previous state-of-the-art LUT-based accelerators.
Authors: Dominik St\"oger, Yizhe Zhu
Abstract: For the problem of reconstructing a low-rank matrix from a few linear measurements, two classes of algorithms have been widely studied in the literature: convex approaches based on nuclear norm minimization, and non-convex approaches that use factorized gradient descent. Under certain statistical model assumptions, it is known that nuclear norm minimization recovers the ground truth as soon as the number of samples scales linearly with the number of degrees of freedom of the ground-truth. In contrast, while non-convex approaches are computationally less expensive, existing recovery guarantees assume that the number of samples scales at least quadratically with the rank $r$ of the ground-truth matrix. In this paper, we close this gap by showing that the non-convex approaches can be as efficient as nuclear norm minimization in terms of sample complexity. Namely, we consider the problem of reconstructing a positive semidefinite matrix from a few Gaussian measurements. We show that factorized gradient descent with spectral initialization converges to the ground truth at a linear rate as soon as the number of samples scales with $ \Omega (rd\kappa^2)$, where $d$ is the dimension, and $\kappa$ is the condition number of the ground truth matrix. This improves the previous rank-dependence in the sample complexity of non-convex matrix factorization from quadratic to linear. Furthermore, we extend our theory to the noisy setting, where we show that with noisy measurements, factorized gradient descent with spectral initialization converges to the minimax optimal error up to a factor linear in $\kappa$. Our proof relies on a probabilistic decoupling argument, where we show that the gradient descent iterates are only weakly dependent on the individual entries of the measurement matrices. We expect that our proof technique is of independent interest for other non-convex problems.
Authors: Ningyuan Xi, Yetao Wu, Kun Fan, Teng Chen, Qingqing Gu, Luo Ji
Abstract: Large Language Models (LLM) often need to be Continual Pre-Trained (CPT) to obtain unfamiliar language skills or adapt to new domains. The huge training cost of CPT often asks for cautious choice of key hyper-parameters such as the mixture ratio of extra language or domain corpus. However, there is no systematic study that bridges the gap between the optimal mixture ratio and the actual model performance, and the gap between experimental scaling law and the actual deployment in the full model size. In this paper, we perform CPT on Llama-3 8B and 70B to enhance its Chinese ability. We study the optimal correlation between the Additional Language Mixture Ratio (ALMR) and the Learning Rate (LR) on the 8B size which directly indicates the optimal experimental setup. By thorough choice of hyper-parameter, and subsequent fine-tuning, the model capability is improved not only on the Chinese-related benchmark but also in some specific domains including math, coding, and emotional intelligence. We deploy the final 70B version of LLM on a real-life chat system which obtains satisfying performance.
Authors: Alejandro Lancho, Amir Weiss, Gary C. F. Lee, Tejas Jayashankar, Binoy Kurien, Yury Polyanskiy, Gregory W. Wornell
Abstract: We address the critical problem of interference rejection in radio-frequency (RF) signals using a data-driven approach that leverages deep-learning methods. A primary contribution of this paper is the introduction of the RF Challenge, which is a publicly available, diverse RF signal dataset for data-driven analyses of RF signal problems. Specifically, we adopt a simplified signal model for developing and analyzing interference rejection algorithms. For this signal model, we introduce a set of carefully chosen deep learning architectures, incorporating key domain-informed modifications alongside traditional benchmark solutions to establish baseline performance metrics for this intricate, ubiquitous problem. Through extensive simulations involving eight different signal mixture types, we demonstrate the superior performance (in some cases, by two orders of magnitude) of architectures such as UNet and WaveNet over traditional methods like matched filtering and linear minimum mean square error estimation. Our findings suggest that the data-driven approach can yield scalable solutions, in the sense that the same architectures may be similarly trained and deployed for different types of signals. Moreover, these findings further corroborate the promising potential of deep learning algorithms for enhancing communication systems, particularly via interference mitigation. This work also includes results from an open competition based on the RF Challenge, hosted at the 2024 IEEE International Conference on Acoustics, Speech, and Signal Processing (ICASSP'24).
Authors: Ningyuan Xi, Xiaoyu Wang, Yetao Wu, Teng Chen, Qingqing Gu, Yue Zhao, Jinxian Qu, Zhonglin Jiang, Yong Chen, Luo Ji
Abstract: Current research efforts are focused on enhancing the thinking and reasoning capability of large language model (LLM) by prompting, data-driven emergence and inference-time computation. In this study, we consider stimulating language model's thinking and cognitive abilities from a modular perspective, which mimics the human brain architecture. We select a specific intermediate attention layer with newly implemented language heads. We conduct dual-layer fine-tuning by annotated (query, thought, answer) samples and show that the intermediate layer can also learn to decode fluent and reasonable language tokens. A two-pass inference mechanism is designed to generate thoughts then formal responses. The entire framework is called modularized thinking language model (MeTHanol) which can enhance LLM's cognitive behaviors as indicated by Theory of Mind (ToM) and Vignette-based experiments. Case studies also show that MeTHanol can plan and self-reflect and generate human-like thoughts and answers, even on unseen and open-domain tasks. MeTHanol can also adapt to a personalized prompt and behave as the specified character. Our study holds promise for significant cognitive gains from a modular perspective. Our code, model and data are available at https://bachozean.github.io/methanol-page
Authors: Kai Shao, Jiacheng Shen, Mathieu Lauri\`ere
Abstract: Mean field type games (MFTGs) describe Nash equilibria between large coalitions: each coalition consists of a continuum of cooperative agents who maximize the average reward of their coalition while interacting non-cooperatively with a finite number of other coalitions. Although the theory has been extensively developed, we are still lacking efficient and scalable computational methods. Here, we develop reinforcement learning methods for such games in a finite space setting with general dynamics and reward functions. We start by proving that the MFTG solution yields approximate Nash equilibria in finite-size coalition games. We then propose two algorithms. The first is based on the quantization of mean-field spaces and Nash Q-learning. We provide convergence and stability analysis. We then propose a deep reinforcement learning algorithm, which can scale to larger spaces. Numerical experiments in 4 environments with mean-field distributions of dimension up to $200$ show the scalability and efficiency of the proposed method.
Authors: Soon Hoe Lim, Yijin Wang, Annan Yu, Emma Hart, Michael W. Mahoney, Xiaoye S. Li, N. Benjamin Erichson
Abstract: Flow matching has recently emerged as a powerful paradigm for generative modeling and has been extended to probabilistic time series forecasting in latent spaces. However, the impact of the specific choice of probability path model on forecasting performance remains under-explored. In this work, we demonstrate that forecasting spatio-temporal data with flow matching is highly sensitive to the selection of the probability path model. Motivated by this insight, we propose a novel probability path model designed to improve forecasting performance. Our empirical results across various dynamical system benchmarks show that our model achieves faster convergence during training and improved predictive performance compared to existing probability path models. Importantly, our approach is efficient during inference, requiring only a few sampling steps. This makes our proposed model practical for real-world applications and opens new avenues for probabilistic forecasting.
Authors: Jinyuan Chang, Yue Du, Guanglin Huang, Qiwei Yao
Abstract: We propose a new method for identifying and estimating the CP-factor models for matrix time series. Unlike the generalized eigenanalysis-based method of Chang et al. (2023) for which the convergence rates of the associated estimators may suffer from small eigengaps as the asymptotic theory is based on some matrix perturbation analysis, the proposed new method enjoys faster convergence rates which are free from any eigengaps. It achieves this by turning the problem into a joint diagonalization of several matrices whose elements are determined by a basis of a linear system, and by choosing the basis carefully to avoid near co-linearity (see Proposition 5 and Section 4.3). Furthermore, unlike Chang et al. (2023) which requires the two factor loading matrices to be full-ranked, the proposed new method can handle rank-deficient factor loading matrices. Illustration with both simulated and real matrix time series data shows the advantages of the proposed new method.
Authors: Amin Golnari, Mostafa Diba
Abstract: Deep learning has proven to be a highly effective tool for a wide range of applications, significantly when leveraging the power of multi-loss functions to optimize performance on multiple criteria simultaneously. However, optimal selection and weighting loss functions in deep learning tasks can significantly influence model performance, yet manual tuning of these functions is often inefficient and inflexible. We propose a novel framework called dynamic memory fusion for adaptive multi-loss function penalizing in real-time to address this. This framework leverages historical loss values data to dynamically adjust the weighting of multiple loss functions throughout the training process. Additionally, this framework integrates an auxiliary loss function to enhance model performance in the early stages. To further research horizons, we introduce the class-balanced dice loss function, designed to address class imbalance by prioritizing underrepresented classes. Experiments on breast ultrasound datasets demonstrate that the framework improves segmentation performance across various metrics. These results demonstrate the effectiveness of our proposed framework in ensuring that the model dynamically adjusts its focus to prioritize the most relevant criteria, leading to improved performance in evolving environments. The source code for our proposed methodology is publicly available on GitHub.
Authors: Lizhe Fang, Yifei Wang, Zhaoyang Liu, Chenheng Zhang, Stefanie Jegelka, Jinyang Gao, Bolin Ding, Yisen Wang
Abstract: Handling long-context inputs is crucial for large language models (LLMs) in tasks such as extended conversations, document summarization, and many-shot in-context learning. While recent approaches have extended the context windows of LLMs and employed perplexity (PPL) as a standard evaluation metric, PPL has proven unreliable for assessing long-context capabilities. The underlying cause of this limitation has remained unclear. In this work, we provide a comprehensive explanation for this issue. We find that PPL overlooks key tokens, which are essential for long-context understanding, by averaging across all tokens and thereby obscuring the true performance of models in long-context scenarios. To address this, we propose \textbf{LongPPL}, a novel metric that focuses on key tokens by employing a long-short context contrastive method to identify them. Our experiments demonstrate that LongPPL strongly correlates with performance on various long-context benchmarks (e.g., Pearson correlation of -0.96), significantly outperforming traditional PPL in predictive accuracy. Additionally, we introduce \textbf{LongCE} (Long-context Cross-Entropy) loss, a re-weighting strategy for fine-tuning that prioritizes key tokens, leading to consistent improvements across diverse benchmarks. In summary, these contributions offer deeper insights into the limitations of PPL and present effective solutions for accurately evaluating and enhancing the long-context capabilities of LLMs. Code is available at https://github.com/PKU-ML/LongPPL.
Authors: Franck Rothen, Samuel Klein, Matthew Leigh, Tobias Golling
Abstract: Machine learning is becoming increasingly popular in the context of particle physics. Supervised learning, which uses labeled Monte Carlo (MC) simulations, remains one of the most widely used methods for discriminating signals beyond the Standard Model. However, this paper suggests that supervised models may depend excessively on artifacts and approximations from Monte Carlo simulations, potentially limiting their ability to generalize well to real data. This study aims to enhance the generalization properties of supervised models by reducing the sharpness of local minima. It reviews the application of four distinct white-box adversarial attacks in the context of classifying Higgs boson decay signals. The attacks are divided into weight-space attacks and feature-space attacks. To study and quantify the sharpness of different local minima, this paper presents two analysis methods: gradient ascent and reduced Hessian eigenvalue analysis. The results show that white-box adversarial attacks significantly improve generalization performance, albeit with increased computational complexity.
Authors: G. Thomas Hudson, Dean Slack, Thomas Winterbottom, Jamie Sterling, Chenghao Xiao, Junjie Shentu, Noura Al Moubayed
Abstract: Multimodal learning, which involves integrating information from various modalities such as text, images, audio, and video, is pivotal for numerous complex tasks like visual question answering, cross-modal retrieval, and caption generation. Traditional approaches rely on modality-specific encoders and late fusion techniques, which can hinder scalability and flexibility when adapting to new tasks or modalities. To address these limitations, we introduce a novel framework that extends the concept of task reformulation beyond natural language processing (NLP) to multimodal learning. We propose to reformulate diverse multimodal tasks into a unified next-frame prediction problem, allowing a single model to handle different modalities without modality-specific components. This method treats all inputs and outputs as sequential frames in a video, enabling seamless integration of modalities and effective knowledge transfer across tasks. Our approach is evaluated on a range of tasks, including text-to-text, image-to-text, video-to-video, video-to-text, and audio-to-text, demonstrating the model's ability to generalize across modalities with minimal adaptation. We show that task reformulation can significantly simplify multimodal model design across various tasks, laying the groundwork for more generalized multimodal foundation models.
Authors: Ankita Vaishnobi Bisoi, Shreyas V, Jose Siguenza, Bharath Ramsundar
Abstract: Variant calling is a fundamental task in genomic research, essential for detecting genetic variations such as single nucleotide polymorphisms (SNPs) and insertions or deletions (indels). This paper presents an enhancement to DeepChem, a widely used open-source drug discovery framework, through the integration of DeepVariant. In particular, we introduce a variant calling pipeline that leverages DeepVariant's convolutional neural network (CNN) architecture to improve the accuracy and reliability of variant detection. The implemented pipeline includes stages for realignment of sequencing reads, candidate variant detection, and pileup image generation, followed by variant classification using a modified Inception v3 model. Our work adds a modular and extensible variant calling framework to the DeepChem framework and enables future work integrating DeepChem's drug discovery infrastructure more tightly with bioinformatics pipelines.
Authors: Sara Pohland, Claire Tomlin
Abstract: Convolutional neural networks (CNNs) are extremely popular and effective for image classification tasks but tend to be overly confident in their predictions. Various works have sought to quantify uncertainty associated with these models, detect out-of-distribution (OOD) inputs, or identify anomalous regions in an image, but limited work has sought to develop a holistic approach that can accurately estimate perception model confidence across various sources of uncertainty. We develop a probabilistic and reconstruction-based competency estimation (PaRCE) method and compare it to existing approaches for uncertainty quantification and OOD detection. We find that our method can best distinguish between correctly classified, misclassified, and OOD samples with anomalous regions, as well as between samples with visual image modifications resulting in high, medium, and low prediction accuracy. We describe how to extend our approach for anomaly localization tasks and demonstrate the ability of our approach to distinguish between regions in an image that are familiar to the perception model from those that are unfamiliar. We find that our method generates interpretable scores that most reliably capture a holistic notion of perception model confidence.
Authors: Gin\'es Carreto Pic\'on, Illia Oleksiienko, Lukas Hedegaard, Arian Bakhtiarnia, Alexandros Iosifidis
Abstract: Transformers are widely used for their ability to capture data relations in sequence processing, with great success for a wide range of static tasks. However, the computational and memory footprint of their main component, i.e., the Scaled Dot-product Attention, is commonly overlooked. This makes their adoption in applications involving stream data processing with constraints in response latency, computational and memory resources infeasible. Some works have proposed methods to lower the computational cost of Transformers, i.e. low-rank approximations, sparsity in attention, and efficient formulations for Continual Inference. In this paper, we introduce a new formulation of the Scaled Dot-product Attention based on the Nystr\"om approximation that is suitable for Continual Inference. In experiments on Online Audio Classification and Online Action Detection tasks, the proposed Continual Scaled Dot-product Attention can lower the number of operations by up to three orders of magnitude compared to the original Transformers while retaining the predictive performance of competing models.
Authors: Zhizhen Chen, Zhengyu Zhao, Subrat Kishore Dutta, Chenhao Lin, Chao Shen, Xiao Zhang
Abstract: Targeted data poisoning (TDP) aims to compromise the model's prediction on a specific (test) target by perturbing a small subset of training data. Existing work on TDP has focused on an overly ideal threat model in which the same image sample of the target is used during both poisoning and inference stages. However, in the real world, a target object often appears in complex variations due to changes of physical settings such as viewpoint, background, and lighting conditions. In this work, we take the first step toward understanding the real-world threats of TDP by studying its generalizability across varying physical conditions. In particular, we observe that solely optimizing gradient directions, as adopted by the best previous TDP method, achieves limited generalization. To address this limitation, we propose optimizing both the gradient direction and magnitude for more generalizable gradient matching, thereby leading to higher poisoning success rates. For instance, our method outperforms the state of the art by 19.49% when poisoning CIFAR-10 images targeting multi-view cars.
Authors: Peizhen Bai, Filip Miljkovi\'c, Xianyuan Liu, Leonardo De Maria, Rebecca Croasdale-Wood, Owen Rackham, Haiping Lu
Abstract: Inverse protein folding generates valid amino acid sequences that can fold into a desired protein structure, with recent deep-learning advances showing strong potential and competitive performance. However, challenges remain, such as predicting elements with high structural uncertainty, including disordered regions. To tackle such low-confidence residue prediction, we propose a Mask-prior-guided denoising Diffusion (MapDiff) framework that accurately captures both structural information and residue interactions for inverse protein folding. MapDiff is a discrete diffusion probabilistic model that iteratively generates amino acid sequences with reduced noise, conditioned on a given protein backbone. To incorporate structural information and residue interactions, we develop a graph-based denoising network with a mask-prior pre-training strategy. Moreover, in the generative process, we combine the denoising diffusion implicit model with Monte-Carlo dropout to reduce uncertainty. Evaluation on four challenging sequence design benchmarks shows that MapDiff substantially outperforms state-of-the-art methods. Furthermore, the in silico sequences generated by MapDiff closely resemble the physico-chemical and structural characteristics of native proteins across different protein families and architectures.
Authors: Filippo Bigi, Marcel Langer, Michele Ceriotti
Abstract: The use of machine learning to estimate the energy of a group of atoms, and the forces that drive them to more stable configurations, has revolutionized the fields of computational chemistry and materials discovery. In this domain, rigorous enforcement of symmetry and conservation laws has traditionally been considered essential. For this reason, interatomic forces are usually computed as the derivatives of the potential energy, ensuring energy conservation. Several recent works have questioned this physically constrained approach, suggesting that directly predicting the forces yields a better trade-off between accuracy and computational efficiency, and that energy conservation can be learned during training. This work investigates the applicability of such non-conservative models in microscopic simulations. We identify and demonstrate several fundamental issues, from ill-defined convergence of geometry optimization to instability in various types of molecular dynamics. Given the difficulty in monitoring and correcting the lack of energy conservation, direct forces should be used with great care. We show that the best approach to exploit the acceleration they afford is to use them in conjunction with conservative forces. A model can be pre-trained efficiently on direct forces, then fine-tuned using backpropagation. At evaluation time, both force types can be used together to avoid unphysical effects while still benefitting almost entirely from the computational efficiency of direct forces.
Authors: Shamus Sim, Tyrone Chen
Abstract: Background: Despite the current ubiquity of Large Language Models (LLMs) across the medical domain, there is a surprising lack of studies which address their reasoning behaviour. We emphasise the importance of understanding reasoning behaviour as opposed to high-level prediction accuracies, since it is equivalent to explainable AI (XAI) in this context. In particular, achieving XAI in medical LLMs used in the clinical domain will have a significant impact across the healthcare sector. Results: Therefore, in this work, we adapt the existing concept of reasoning behaviour and articulate its interpretation within the specific context of medical LLMs. We survey and categorise current state-of-the-art approaches for modeling and evaluating reasoning reasoning in medical LLMs. Additionally, we propose theoretical frameworks which can empower medical professionals or machine learning engineers to gain insight into the low-level reasoning operations of these previously obscure models. We also outline key open challenges facing the development of Large Reasoning Models. Conclusion: The subsequent increased transparency and trust in medical machine learning models by clinicians as well as patients will accelerate the integration, application as well as further development of medical AI for the healthcare system as a whole.
Authors: Peihao Xiang, Kaida Wu, Ou Bai
Abstract: This paper expands the cascaded network branch of the autoencoder-based multi-task learning (MTL) framework for dynamic facial expression recognition, namely Multi-Task Cascaded Autoencoder for Dynamic Facial Expression Recognition (MTCAE-DFER). MTCAE-DFER builds a plug-and-play cascaded decoder module, which is based on the Vision Transformer (ViT) architecture and employs the decoder concept of Transformer to reconstruct the multi-head attention module. The decoder output from the previous task serves as the query (Q), representing local dynamic features, while the Video Masked Autoencoder (VideoMAE) shared encoder output acts as both the key (K) and value (V), representing global dynamic features. This setup facilitates interaction between global and local dynamic features across related tasks. Additionally, this proposal aims to alleviate overfitting of complex large model. We utilize autoencoder-based multi-task cascaded learning approach to explore the impact of dynamic face detection and dynamic face landmark on dynamic facial expression recognition, which enhances the model's generalization ability. After we conduct extensive ablation experiments and comparison with state-of-the-art (SOTA) methods on various public datasets for dynamic facial expression recognition, the robustness of the MTCAE-DFER model and the effectiveness of global-local dynamic feature interaction among related tasks have been proven.
Authors: Valay Bundele, Karahan Sar{\i}ta\c{s}, Bora Kargi, O\u{g}uz Ata \c{C}al, K{\i}van\c{c} Tez\"oren, Zohreh Ghaderi, Hendrik Lensch
Abstract: Self-supervised learning (SSL) has emerged as a promising paradigm in medical imaging, addressing the chronic challenge of limited labeled data in healthcare settings. While SSL has shown impressive results, existing studies in the medical domain are often limited in scope, focusing on specific datasets or modalities, or evaluating only isolated aspects of model performance. This fragmented evaluation approach poses a significant challenge, as models deployed in critical medical settings must not only achieve high accuracy but also demonstrate robust performance and generalizability across diverse datasets and varying conditions. To address this gap, we present a comprehensive evaluation of SSL methods within the medical domain, with a particular focus on robustness and generalizability. Using the MedMNIST dataset collection as a standardized benchmark, we evaluate 8 major SSL methods across 11 different medical datasets. Our study provides an in-depth analysis of model performance in both in-domain scenarios and the detection of out-of-distribution (OOD) samples, while exploring the effect of various initialization strategies, model architectures, and multi-domain pre-training. We further assess the generalizability of SSL methods through cross-dataset evaluations and the in-domain performance with varying label proportions (1%, 10%, and 100%) to simulate real-world scenarios with limited supervision. We hope this comprehensive benchmark helps practitioners and researchers make more informed decisions when applying SSL methods to medical applications.
Authors: Qiwei Zhu, Kai Li, Guojing Zhang, Xiaoying Wang, Jianqiang Huang, Xilai Li
Abstract: In recent years, deep neural networks, including Convolutional Neural Networks, Transformers, and State Space Models, have achieved significant progress in Remote Sensing Image (RSI) Super-Resolution (SR). However, existing SR methods typically overlook the complementary relationship between global and local dependencies. These methods either focus on capturing local information or prioritize global information, which results in models that are unable to effectively capture both global and local features simultaneously. Moreover, their computational cost becomes prohibitive when applied to large-scale RSIs. To address these challenges, we introduce the novel application of Receptance Weighted Key Value (RWKV) to RSI-SR, which captures long-range dependencies with linear complexity. To simultaneously model global and local features, we propose the Global-Detail dual-branch structure, GDSR, which performs SR by paralleling RWKV and convolutional operations to handle large-scale RSIs. Furthermore, we introduce the Global-Detail Reconstruction Module (GDRM) as an intermediary between the two branches to bridge their complementary roles. In addition, we propose the Dual-Group Multi-Scale Wavelet Loss, a wavelet-domain constraint mechanism via dual-group subband strategy and cross-resolution frequency alignment for enhanced reconstruction fidelity in RSI-SR. Extensive experiments under two degradation methods on several benchmarks, including AID, UCMerced, and RSSRD-QH, demonstrate that GSDR outperforms the state-of-the-art Transformer-based method HAT by an average of 0.09 dB in PSNR, while using only 63% of its parameters and 51% of its FLOPs, achieving an inference speed 3.2 times faster.
Authors: Alexander Valverde, Luis Solano, Andr\'e Montoya
Abstract: Illegal souvenir collection strips an estimated five tonnes of seashells from Costa Rica's beaches each year. Yet, once these specimens are seized, their coastal origin -- Pacific or Caribbean -- cannot be verified easily due to the lack of information, preventing their return when confiscated by local authorities. To solve this issue, we introduce BackHome19K, the first large-scale image corpus (19,058 photographs, 516 species) annotated with coast-level labels, and propose a lightweight pipeline that infers provenance in real time on a mobile-grade CPU. A trained anomaly filter pre-screens uploads, increasing robustness to user-generated noise. On a held-out test set, the classifier attains 86.3% balanced accuracy, while the filter rejects 93% of 180 out-of-domain objects with zero false negatives. Deployed as a web application, the system has already processed 70,000 shells for wildlife officers in under three seconds per image, enabling confiscated specimens to be safely repatriated to their native ecosystems. The dataset is available at https://huggingface.co/datasets/FIFCO/BackHome19K
Authors: Hoang-Son Tran, Vladimir Petrovic, Remi Bardenet, Subhroshekhar Ghosh
Abstract: Negative dependence is becoming a key driver in advancing learning capabilities beyond the limits of traditional independence. Recent developments have evidenced support towards negatively dependent systems as a learning paradigm in a broad range of fundamental machine learning challenges including optimization, sampling, dimensionality reduction and sparse signal recovery, often surpassing the performance of current methods based on statistical independence. The most popular negatively dependent model has been that of determinantal point processes (DPPs), which have their origins in quantum theory. However, other models, such as perturbed lattice models, strongly Rayleigh measures, zeros of random functions have gained salience in various learning applications. In this article, we review this burgeoning field of research, as it has developed over the past two decades or so. We also present new results on applications of DPPs to the parsimonious representation of neural networks. In the limited scope of the article, we mostly focus on aspects of this area to which the authors contributed over the recent years, including applications to Monte Carlo methods, coresets and stochastic gradient descent, stochastic networks, signal processing and connections to quantum computation. However, starting from basics of negative dependence for the uninitiated reader, extensive references are provided to a broad swath of related developments which could not be covered within our limited scope. While existing works and reviews generally focus on specific negatively dependent models (e.g. DPPs), a notable feature of this article is that it addresses negative dependence as a machine learning methodology as a whole. In this vein, it covers within its span an array of negatively dependent models and their applications well beyond DPPs, thereby putting forward a very general and rather unique perspective.
Authors: David Lowry-Duda
Abstract: Building on work of Charton, we train small transformer models to calculate the M\"{o}bius function $\mu(n)$ and the squarefree indicator function $\mu^2(n)$. The models attain nontrivial predictive power. We apply a mixture of additional models and feature scoring to give a theoretical explanation.
Authors: Xinyue Cui, Johnny Tian-Zheng Wei, Swabha Swayamdipta, Robin Jia
Abstract: Data watermarking in language models injects traceable signals, such as specific token sequences or stylistic patterns, into copyrighted text, allowing copyright holders to track and verify training data ownership. Previous data watermarking techniques primarily focus on effective memorization during pretraining, while overlooking challenges that arise in other stages of the LLM lifecycle, such as the risk of watermark filtering during data preprocessing and verification difficulties due to API-only access. To address these challenges, we propose a novel data watermarking approach that injects plausible yet fictitious knowledge into training data using generated passages describing a fictitious entity and its associated attributes. Our watermarks are designed to be memorized by the LLM through seamlessly integrating in its training data, making them harder to detect lexically during preprocessing. We demonstrate that our watermarks can be effectively memorized by LLMs, and that increasing our watermarks' density, length, and diversity of attributes strengthens their memorization. We further show that our watermarks remain effective after continual pretraining and supervised finetuning. Finally, we show that our data watermarks can be evaluated even under API-only access via question answering.
Authors: Roberto Fl\'orez-Ablan, Marco Roth, Jan Schnabel
Abstract: Quantum kernels (QK) are widely used in quantum machine learning applications; yet, their potential to surpass classical machine learning methods on classical datasets remains uncertain. This limitation can be attributed to the exponential concentration phenomenon, which can impair generalization. A common strategy to alleviate this is bandwidth tuning, which involves rescaling data points in the quantum model to improve generalization. In this work, we numerically demonstrate that optimal bandwidth tuning results in QKs that closely resemble radial basis function (RBF) kernels, leading to a lack of quantum advantage over classical methods. Moreover, we reveal that the size of optimal bandwidth tuning parameters further simplifies QKs, causing them to behave like polynomial kernels, corresponding to a low-order Taylor approximation of a RBF kernel. We thoroughly investigate this for fidelity quantum kernels and projected quantum kernels using various data encoding circuits across several classification datasets. We provide numerical evidence and derive a simple analytical model that elucidates how bandwidth tuning influences key quantities in classification tasks. Overall, our findings shed light on the mechanisms that render QK methods classically tractable.
Authors: Joao D. S. Marques, Arlindo L. Oliveira
Abstract: Pulmonary embolism is a leading cause of out of hospital cardiac arrest that requires fast diagnosis. While computed tomography pulmonary angiography is the standard diagnostic tool, it is not always accessible. Electrocardiography is an essential tool for diagnosing multiple cardiac anomalies, as it is affordable, fast and available in many settings. However, the availability of public ECG datasets, specially for PE, is limited and, in practice, these datasets tend to be small, making it essential to optimize learning strategies. In this study, we investigate the performance of multiple neural networks in order to assess the impact of various approaches. Moreover, we check whether these practices enhance model generalization when transfer learning is used to translate information learned in larger ECG datasets, such as PTB-XL, CPSC18 and MedalCare-XL, to a smaller, more challenging dataset for PE. By leveraging transfer learning, we analyze the extent to which we can improve learning efficiency and predictive performance on limited data. Code available at https://github.com/joaodsmarques/Are-ECGs-enough-Deep-Learning-Classifiers .
URLs: https://github.com/joaodsmarques/Are-ECGs-enough-Deep-Learning-Classifiers
Authors: Runze You, Shi Pu
Abstract: We study a distributed learning problem in which $n$ agents, each with potentially heterogeneous local data, collaboratively minimize the sum of their local cost functions via peer-to-peer communication. We propose a novel algorithm, \emph{Spanning Tree Push-Pull} (STPP), which employs two spanning trees extracted from a general communication graph to distribute both model parameters and stochastic gradients. Unlike prior approaches that rely heavily on spectral gap properties, STPP leverages a more flexible topological characterization, enabling robust information flow and efficient updates. Theoretically, we prove that STPP achieves linear speedup and polynomial transient iteration complexity -- up to $\mathcal{O}(n^7)$ for smooth nonconvex objectives and $\tilde{\mathcal{O}}(n^3)$ for smooth strongly convex objectives -- under arbitrary network topologies. Moreover, compared with existing methods, STPP achieves faster convergence rates on sparse and non-regular topologies (e.g., directed rings) and reduces communication overhead on dense networks (e.g., static exponential graphs). Numerical experiments further demonstrate the strong performance of STPP across various graph architectures.
Authors: Quanhao Li, Zhen Xing, Rui Wang, Hui Zhang, Qi Dai, Zuxuan Wu
Abstract: Recent advances in video generation have led to remarkable improvements in visual quality and temporal coherence. Upon this, trajectory-controllable video generation has emerged to enable precise object motion control through explicitly defined spatial paths. However, existing methods struggle with complex object movements and multi-object motion control, resulting in imprecise trajectory adherence, poor object consistency, and compromised visual quality. Furthermore, these methods only support trajectory control in a single format, limiting their applicability in diverse scenarios. Additionally, there is no publicly available dataset or benchmark specifically tailored for trajectory-controllable video generation, hindering robust training and systematic evaluation. To address these challenges, we introduce MagicMotion, a novel image-to-video generation framework that enables trajectory control through three levels of conditions from dense to sparse: masks, bounding boxes, and sparse boxes. Given an input image and trajectories, MagicMotion seamlessly animates objects along defined trajectories while maintaining object consistency and visual quality. Furthermore, we present MagicData, a large-scale trajectory-controlled video dataset, along with an automated pipeline for annotation and filtering. We also introduce MagicBench, a comprehensive benchmark that assesses both video quality and trajectory control accuracy across different numbers of objects. Extensive experiments demonstrate that MagicMotion outperforms previous methods across various metrics. Our project page are publicly available at https://quanhaol.github.io/magicmotion-site.
Authors: Aether Team, Haoyi Zhu, Yifan Wang, Jianjun Zhou, Wenzheng Chang, Yang Zhou, Zizun Li, Junyi Chen, Chunhua Shen, Jiangmiao Pang, Tong He
Abstract: The integration of geometric reconstruction and generative modeling remains a critical challenge in developing AI systems capable of human-like spatial reasoning. This paper proposes Aether, a unified framework that enables geometry-aware reasoning in world models by jointly optimizing three core capabilities: (1) 4D dynamic reconstruction, (2) action-conditioned video prediction, and (3) goal-conditioned visual planning. Through task-interleaved feature learning, Aether achieves synergistic knowledge sharing across reconstruction, prediction, and planning objectives. Building upon video generation models, our framework demonstrates zero-shot synthetic-to-real generalization despite never observing real-world data during training. Furthermore, our approach achieves zero-shot generalization in both action following and reconstruction tasks, thanks to its intrinsic geometric modeling. Notably, even without real-world data, its reconstruction performance is comparable with or even better than that of domain-specific models. Additionally, Aether employs camera trajectories as geometry-informed action spaces, enabling effective action-conditioned prediction and visual planning. We hope our work inspires the community to explore new frontiers in physically-reasonable world modeling and its applications.
Authors: Hanne Say (Artificial Intelligence and Data Engineering Department, Ozyegin University, Istanbul, 34794, Turkey), Suzan Ece Ada (Department of Computer Engineering, Bogazici University, Istanbul, Turkey), Emre Ugur (Department of Computer Engineering, Bogazici University, Istanbul, Turkey), Minoru Asada (OTRI, SISREC, Osaka University, Osaka, Japan, International Professional University of Technology, Osaka, 530-0001, Japan), Erhan Oztop (Artificial Intelligence and Data Engineering Department, Ozyegin University, Istanbul, 34794, Turkey, OTRI, SISREC, Osaka University, Osaka, Japan)
Abstract: As humans learn new skills and apply their existing knowledge while maintaining previously learned information, "continual learning" in machine learning aims to incorporate new data while retaining and utilizing past knowledge. However, existing machine learning methods often does not mimic human learning where tasks are intermixed due to individual preferences and environmental conditions. Humans typically switch between tasks instead of completely mastering one task before proceeding to the next. To explore how human-like task switching can enhance learning efficiency, we propose a multi task learning architecture that alternates tasks based on task-agnostic measures such as "learning progress" and "neural computational energy expenditure". To evaluate the efficacy of our method, we run several systematic experiments by using a set of effect-prediction tasks executed by a simulated manipulator robot. The experiments show that our approach surpasses random interleaved and sequential task learning in terms of average learning accuracy. Moreover, by including energy expenditure in the task switching logic, our approach can still perform favorably while reducing neural energy expenditure.
Authors: Ruidong Zhu, Ziheng Jiang, Chao Jin, Peng Wu, Cesar A. Stuardo, Dongyang Wang, Xinlei Zhang, Huaping Zhou, Haoran Wei, Yang Cheng, Jianzhe Xiao, Xinyi Zhang, Lingjun Liu, Haibin Lin, Li-Wen Chang, Jianxi Ye, Xiao Yu, Xuanzhe Liu, Xin Jin, Xin Liu
Abstract: Mixture-of-Experts (MoE) showcases tremendous potential to scale large language models (LLMs) with enhanced performance and reduced computational complexity. However, its sparsely activated architecture shifts feed-forward networks (FFNs) from being compute-intensive to memory-intensive during inference, leading to substantially lower GPU utilization and increased operational costs. We present MegaScale-Infer, an efficient and cost-effective system for serving large-scale MoE models. MegaScale-Infer disaggregates attention and FFN modules within each model layer, enabling independent scaling, tailored parallelism strategies, and heterogeneous deployment for both modules. To fully exploit disaggregation in the presence of MoE's sparsity, MegaScale-Infer introduces ping-pong pipeline parallelism, which partitions a request batch into micro-batches and shuttles them between attention and FFNs for inference. Combined with distinct model parallelism for each module, MegaScale-Infer effectively hides communication overhead and maximizes GPU utilization. To adapt to disaggregated attention and FFN modules and minimize data transmission overhead (e.g., token dispatch), MegaScale-Infer provides a high-performance M2N communication library that eliminates unnecessary GPU-to-CPU data copies, group initialization overhead, and GPU synchronization. Experimental results indicate that MegaScale-Infer achieves up to 1.90x higher per-GPU throughput than state-of-the-art solutions.
Authors: Yizhuo Wu, Francesco Fioranelli, Chang Gao
Abstract: Radar-based HAR has emerged as a promising alternative to conventional monitoring approaches, such as wearable devices and camera-based systems, due to its unique privacy preservation and robustness advantages. However, existing solutions based on convolutional and recurrent neural networks, although effective, are computationally demanding during deployment. This limits their applicability in scenarios with constrained resources or those requiring multiple sensors. Advanced architectures, such as Vision Transformer (ViT) and State-Space Model (SSM) architectures, offer improved modeling capabilities and have made efforts toward lightweight designs. However, their computational complexity remains relatively high. To leverage the strengths of transformer architectures while simultaneously enhancing accuracy and reducing computational complexity, this paper introduces RadMamba, a parameter-efficient, radar micro-Doppler-oriented Mamba SSM specifically tailored for radar-based HAR. Across three diverse datasets, RadMamba matches the top-performing previous model's 99.8% classification accuracy on Dataset DIAT with only 1/400 of its parameters and equals the leading models' 92.0% accuracy on Dataset CI4R with merely 1/10 of their parameters. In scenarios with continuous sequences of actions evaluated on Dataset UoG2020, RadMamba surpasses other models with significantly higher parameter counts by at least 3%, achieving this with only 6.7k parameters. Our code is available at: https://github.com/lab-emi/AIRHAR.
Authors: Iris Ma, Ian Domingo, Alberto Krone-Martins, Pierre Baldi, Cristina V. Lopes
Abstract: To what extent can entire books be extracted from LLMs? Using the Llama 3 70B family of models, and the "prefix-prompting" extraction technique, we were able to auto-regressively reconstruct, with a very high level of similarity, one entire book (Alice's Adventures in Wonderland) from just the first 500 tokens. We were also able to obtain high extraction rates on several other books, piece-wise. However, these successes do not extend uniformly to all books. We show that extraction rates of books correlate with book popularity and thus, likely duplication in the training data. We also confirm the undoing of mitigations in the instruction-tuned Llama 3.1, following recent work (Nasr et al., 2025). We further find that this undoing comes from changes to only a tiny fraction of weights concentrated primarily in the lower transformer blocks. Our results provide evidence of the limits of current regurgitation mitigation strategies and introduce a framework for studying how fine-tuning affects the retrieval of verbatim memorization in aligned LLMs.
Authors: Rei Higuchi, Ryotaro Kawata, Naoki Nishikawa, Kazusato Oko, Shoichiro Yamaguchi, Sosuke Kobayashi, Seiya Tokui, Kohei Hayashi, Daisuke Okanohara, Taiji Suzuki
Abstract: The ability to acquire latent semantics is one of the key properties that determines the performance of language models. One convenient approach to invoke this ability is to prepend metadata (e.g. URLs, domains, and styles) at the beginning of texts in the pre-training data, making it easier for the model to access latent semantics before observing the entire text. Previous studies have reported that this technique actually improves the performance of trained models in downstream tasks; however, this improvement has been observed only in specific downstream tasks, without consistent enhancement in average next-token prediction loss. To understand this phenomenon, we closely investigate how prepending metadata during pre-training affects model performance by examining its behavior using artificial data. Interestingly, we found that this approach produces both positive and negative effects on the downstream tasks. We demonstrate that the effectiveness of the approach depends on whether latent semantics can be inferred from the downstream task's prompt. Specifically, through investigations using data generated by probabilistic context-free grammars, we show that training with metadata helps improve model's performance when the given context is long enough to infer the latent semantics. In contrast, the technique negatively impacts performance when the context lacks the necessary information to make an accurate posterior inference.
Authors: Hao Zhu, Phil Cuvin, Xinkai Yu, Charlotte Ka Yee Yan, Jason Zhang, Diyi Yang
Abstract: Agents are predominantly evaluated and optimized via task success metrics, which are coarse, rely on manual design from experts, and fail to reward intermediate emergent behaviors. We propose AutoLibra, a framework for agent evaluation, that transforms open-ended human feedback e.g. "If you find that the button is disabled, don't click it again", or "This agent has too much autonomy to decide what to do on its own" into metrics for evaluating fine-grained behaviors in agent trajectories. AutoLibra accomplishes this by grounding feedback to an agent's behavior, clustering similar positive and negative behaviors, and creating concrete metrics with clear definitions and concrete examples, which can be used for prompting LLM-as-a-Judge as evaluators. We further propose two meta-metrics to evaluate the alignment of a set of (induced) metrics with open feedback: "coverage" and "redundancy". Through optimizing these meta-metrics, we experimentally demonstrate AutoLibra's ability to induce more concrete agent evaluation metrics than the ones proposed in previous agent evaluation benchmarks and discover new metrics to analyze agents. We also present two applications of AutoLibra in agent improvement: First, we show that AutoLibra-induced metrics serve as better prompt-engineering targets than the task success rate on a wide range of text game tasks, improving agent performance over baseline by a mean of 20%. Second, we show that AutoLibra can iteratively select high-quality fine-tuning data for web navigation agents. Our results suggest that AutoLibra is a powerful task-agnostic tool for evaluating and improving language agents.
Authors: Miguel Lopez-Duran, Julian Fierrez, Aythami Morales, Ruben Tolosana, Oscar Delgado-Mohatar, Alvaro Ortigosa
Abstract: The automatic analysis of document layouts in digital-born PDF documents remains a challenging problem due to the heterogeneous arrangement of textual and nontextual elements and the imprecision of the textual metadata in the Portable Document Format. In this work, we benchmark Graph Neural Network (GNN) architectures for the task of fine-grained layout classification of text blocks from digital native documents. We introduce two graph construction structures: a k-closest-neighbor graph and a fully connected graph, and generate node features via pre-trained text and vision models, thus avoiding manual feature engineering. Three experimental frameworks are evaluated: single-modality (text or visual), concatenated multimodal, and dual-branch multimodal. We evaluated four foundational GNN models and compared them with the baseline. Our experiments are specifically conducted on a rich dataset of public affairs documents that includes more than 20 sources (e.g., regional and national-level official gazettes), 37K PDF documents, with 441K pages in total. Our results demonstrate that GraphSAGE operating on the k-closest-neighbor graph in a dual-branch configuration achieves the highest per-class and overall accuracy, outperforming the baseline in some sources. These findings confirm the importance of local layout relationships and multimodal fusion exploited through GNNs for the analysis of native digital document layouts.
Authors: Hao Wang, Pinzhi Huang, Jihan Yang, Saining Xie, Daisuke Kawahara
Abstract: The rapid evolution of multimodal large language models (MLLMs) has significantly enhanced their real-world applications. However, achieving consistent performance across languages, especially when integrating cultural knowledge, remains a significant challenge. To better assess this issue, we introduce two new benchmarks: KnowRecall and VisRecall, which evaluate cross-lingual consistency in MLLMs. KnowRecall is a visual question answering benchmark designed to measure factual knowledge consistency in 15 languages, focusing on cultural and historical questions about global landmarks. VisRecall assesses visual memory consistency by asking models to describe landmark appearances in 9 languages without access to images. Experimental results reveal that state-of-the-art MLLMs, including proprietary ones, still struggle to achieve cross-lingual consistency. This underscores the need for more robust approaches that produce truly multilingual and culturally aware models.
Authors: Punya Syon Pandey, Samuel Simko, Kellin Pelrine, Zhijing Jin
Abstract: As large language models (LLMs) gain popularity, their vulnerability to adversarial attacks emerges as a primary concern. While fine-tuning models on domain-specific datasets is often employed to improve model performance, it can inadvertently introduce vulnerabilities within the underlying model. In this work, we investigate Accidental Vulnerability, unexpected vulnerabilities arising from characteristics of fine-tuning data. We begin by identifying potential correlation factors such as linguistic features, semantic similarity, and toxicity across multiple experimental datasets. We then evaluate the adversarial robustness of these fine-tuned models, analyzing persona shifts and interpretability traits to understand how dataset factors contribute to attack success rates. Lastly, we explore causal relationships that offer new insights into adversarial defense strategies, highlighting the crucial role of dataset design in preserving model alignment. Our code is available at https://github.com/psyonp/accidental_vulnerability.
Authors: Kristin Qi, Jiali Cheng, Youxiang Zhu, Hadi Amiri, Xiaohui Liang
Abstract: Detecting Mild Cognitive Impairment from picture descriptions is critical yet challenging, especially in multilingual and multiple picture settings. Prior work has primarily focused on English speakers describing a single picture (e.g., the 'Cookie Theft'). The TAUKDIAL-2024 challenge expands this scope by introducing multilingual speakers and multiple pictures, which presents new challenges in analyzing picture-dependent content. To address these challenges, we propose a framework with three components: (1) enhancing discriminative representation learning via supervised contrastive learning, (2) involving image modality rather than relying solely on speech and text modalities, and (3) applying a Product of Experts (PoE) strategy to mitigate spurious correlations and overfitting. Our framework improves MCI detection performance, achieving a +7.1% increase in Unweighted Average Recall (UAR) (from 68.1% to 75.2%) and a +2.9% increase in F1 score (from 80.6% to 83.5%) compared to the text unimodal baseline. Notably, the contrastive learning component yields greater gains for the text modality compared to speech. These results highlight our framework's effectiveness in multilingual and multi-picture MCI detection.
Authors: Wenning Xu, Shiyu Fan, Paul Henderson, Edmond S. L. Ho
Abstract: Generating realistic human motion with high-level controls is a crucial task for social understanding, robotics, and animation. With high-quality MOCAP data becoming more available recently, a wide range of data-driven approaches have been presented. However, modelling multi-person interactions still remains a less explored area. In this paper, we present Graph-driven Interaction Sampling, a method that can generate realistic and diverse multi-person interactions by leveraging existing two-person motion diffusion models as motion priors. Instead of training a new model specific to multi-person interaction synthesis, our key insight is to spatially and temporally separate complex multi-person interactions into a graph structure of two-person interactions, which we name the Pairwise Interaction Graph. We thus decompose the generation task into simultaneous single-person motion generation conditioned on one other's motion. In addition, to reduce artifacts such as interpenetrations of body parts in generated multi-person interactions, we introduce two graph-dependent guidance terms into the diffusion sampling scheme. Unlike previous work, our method can produce various high-quality multi-person interactions without having repetitive individual motions. Extensive experiments demonstrate that our approach consistently outperforms existing methods in reducing artifacts when generating a wide range of two-person and multi-person interactions.
Authors: Robin Burchard, Kristof Van Laerhoven
Abstract: Wearable human activity recognition has been shown to benefit from the inclusion of acoustic data, as the sounds around a person often contain valuable context. However, due to privacy concerns, it is usually not ethically feasible to record and save microphone data from the device, since the audio could, for instance, also contain private conversations. Rather, the data should be processed locally, which in turn requires processing power and consumes energy on the wearable device. One special use case of contextual information that can be utilized to augment special tasks in human activity recognition is water flow detection, which can, e.g., be used to aid wearable hand washing detection. We created a new label called tap water for the recently released HD-Epic data set, creating 717 hand-labeled annotations of tap water flow, based on existing annotations of the water class. We analyzed the relation of tap water and water in the dataset and additionally trained and evaluated two lightweight classifiers to evaluate the newly added label class, showing that the new class can be learned more easily.
Authors: Agnideep Aich
Abstract: Classical estimators, the cornerstones of statistical inference, face insurmountable challenges when applied to important emerging classes of Archimedean copulas. These models exhibit pathological properties, including numerically unstable densities, non-monotonic parameter-to-dependence mappings, and vanishingly small likelihood gradients, rendering methods like Maximum Likelihood (MLE) and Method of Moments (MoM) inconsistent or computationally infeasible. We introduce IGNIS, a unified neural estimation framework that sidesteps these barriers by learning a direct, robust mapping from data-driven dependency measures to the underlying copula parameter theta. IGNIS utilizes a multi-input architecture and a theory-guided output layer (softplus(z) + 1) to automatically enforce the domain constraint theta_hat >= 1. Trained and validated on four families (Gumbel, Joe, and the numerically challenging A1/A2), IGNIS delivers accurate and stable estimates for real-world financial and health datasets, demonstrating its necessity for reliable inference in modern, complex dependence models where traditional methods fail.
Authors: Jeongsol Kim, Yeobin Hong, Jonghyun Park, Jong Chul Ye
Abstract: Recent inversion-free, flow-based image editing methods such as FlowEdit leverages a pre-trained noise-to-image flow model such as Stable Diffusion 3, enabling text-driven manipulation by solving an ordinary differential equation (ODE). While the lack of exact latent inversion is a core advantage of these methods, it often results in unstable editing trajectories and poor source consistency. To address this limitation, we propose {\em FlowAlign}, a novel inversion-free flow-based framework for consistent image editing with optimal control-based trajectory control. Specifically, FlowAlign introduces source similarity at the terminal point as a regularization term to promote smoother and more consistent trajectories during the editing process. Notably, our terminal point regularization is shown to explicitly balance semantic alignment with the edit prompt and structural consistency with the source image along the trajectory. Furthermore, FlowAlign naturally supports reverse editing by simply reversing the ODE trajectory, highliting the reversible and consistent nature of the transformation. Extensive experiments demonstrate that FlowAlign outperforms existing methods in both source preservation and editing controllability.
Authors: Shenghe Zheng, Qianjia Cheng, Junchi Yao, Mengsong Wu, Haonan He, Ning Ding, Yu Cheng, Shuyue Hu, Lei Bai, Dongzhan Zhou, Ganqu Cui, Peng Ye
Abstract: Large Language Models (LLMs) have achieved remarkable progress on advanced reasoning tasks such as mathematics and coding competitions. Meanwhile, physics, despite being both reasoning-intensive and essential to real-world understanding, received limited academic and industrial attention. This paper introduces PHYSICS, a dataset containing 16,568 high-quality physics problems spanning subjects and difficulty levels, to facilitate this issue. Specifically, PHYSICS is curated with exercises from over 100 textbooks through a carefully designed pipeline for quality control. It covers five major physics domains: Mechanics, Electromagnetism, Thermodynamics, Optics, and Modern Physics. It also spans a wide range of difficulty levels, from high school to graduate-level physics courses. To utilize the data for improving and evaluating the model's physical reasoning capabilities, we split the dataset into training and test sets, and provide reasoning paths generated by powerful reasoning models for the training data to facilitate model training. In addition, for the evaluation part, we find that existing evaluation frameworks exhibit biases in aspects such as units, simplification, and precision in physics domain. To balance efficiency and accuracy, we introduce a Rule+Model evaluation framework tailored to physics problems. Our evaluations on current state-of-the-art open-source and proprietary models highlight the limitations of current models in handling physics-related tasks. We hope that our dataset and evaluation methodology will jointly advance the development of LLMs in the field of physics.
Authors: Yuan Bian, Xingche Guo, Yuanjia Wang
Abstract: Major depressive disorder (MDD), a leading cause of disability and mortality, is associated with reward-processing abnormalities and concentration issues. Motivated by the probabilistic reward task from the Establishing Moderators and Biosignatures of Antidepressant Response in Clinical Care (EMBARC) study, we propose a novel framework that integrates the reinforcement learning (RL) model and drift-diffusion model (DDM) to jointly analyze reward-based decision-making with response times. To account for emerging evidence suggesting that decision-making may alternate between multiple interleaved strategies, we model latent state switching using a hidden Markov model (HMM). In the ''engaged'' state, decisions follow an RL-DDM, simultaneously capturing reward processing, decision dynamics, and temporal structure. In contrast, in the ''lapsed'' state, decision-making is modeled using a simplified DDM, where specific parameters are fixed to approximate random guessing with equal probability. The proposed method is implemented using a computationally efficient generalized expectation-maximization (EM) algorithm with forward-backward procedures. Through extensive numerical studies, we demonstrate that our proposed method outperforms competing approaches across various reward-generating distributions, under both strategy-switching and non-switching scenarios, as well as in the presence of input perturbations. When applied to the EMBARC study, our framework reveals that MDD patients exhibit lower overall engagement than healthy controls and experience longer decision times when they do engage. Additionally, we show that neuroimaging measures of brain activities are associated with decision-making characteristics in the ''engaged'' state but not in the ''lapsed'' state, providing evidence of brain-behavior association specific to the ''engaged'' state.
Authors: Bo\v{s}tjan Ma\v{c}ek
Abstract: Advances in sensor technology and automation have ushered in an era of data abundance, where the ability to identify and extract relevant information in real time has become increasingly critical. Traditional filtering approaches, which depend on a priori knowledge, often struggle to adapt to dynamic or unanticipated data features. Machine learning offers a compelling alternative-particularly when training can occur directly at or near the detector. This paper presents a digital hardware architecture designed for real-time neural network training, specifically optimized for high-throughput data ingestion. The design is described in an implementation-independent manner, with detailed analysis of each architectural component and their performance implications. Through system parameterization, the study explores trade-offs between processing speed, model complexity, and hardware resource utilization. Practical examples illustrate how these parameters affect applicability across various use cases. A proof-of-concept implementation on an FPGA demonstrates in-situ training, confirming that computational accuracy is preserved relative to conventional software-based approaches. Moreover, resource estimates indicate that current-generation FPGAs can train networks of approximately 3,500 neurons per chip. The architecture is both scalable and adaptable, representing a significant advancement toward integrating learning directly within detector systems and enabling a new class of extreme-edge, real-time information processing.
Authors: Lucas Schulze, Jan Peters, Oleg Arenz
Abstract: Controlling a robot based on physics-consistent dynamic models, such as Deep Lagrangian Networks (DeLaN), can improve the generalizability and interpretability of the resulting behavior. However, in complex environments, the number of objects to potentially interact with is vast, and their physical properties are often uncertain. This complexity makes it infeasible to employ a single global model. Therefore, we need to resort to online system identification of context-aware models that capture only the currently relevant aspects of the environment. While physical principles such as the conservation of energy may not hold across varying contexts, ensuring physical plausibility for any individual context-aware model can still be highly desirable, particularly when using it for receding horizon control methods such as model predictive control (MPC). Hence, in this work, we extend DeLaN to make it context-aware, combine it with a recurrent network for online system identification, and integrate it with an MPC for adaptive, physics-consistent control. We also combine DeLaN with a residual dynamics model to leverage the fact that a nominal model of the robot is typically available. We evaluate our method on a 7-DOF robot arm for trajectory tracking under varying loads. Our method reduces the end-effector tracking error by 39%, compared to a 21% improvement achieved by a baseline that uses an extended Kalman filter.
Authors: William Scarbro, Calum Imrie, Sinem Getir Yaman, Kavan Fatehi, Corina S. Pasareanu, Radu Calinescu, Ravi Mangal
Abstract: We consider the problem of safe control in discrete autonomous agents that use learned components for imperfect perception (or more generally, state estimation) from high-dimensional observations. We propose a shield construction that provides run-time safety guarantees under perception errors by restricting the actions available to an agent, modeled as a Markov decision process, as a function of the state estimates. Our construction uses conformal prediction for the perception component, which guarantees that for each observation, the predicted set of estimates includes the actual state with a user-specified probability. The shield allows an action only if it is allowed for all the estimates in the predicted set, resulting in local safety. We also articulate and prove a global safety property of existing shield constructions for perfect-perception agents bounding the probability of reaching unsafe states if the agent always chooses actions prescribed by the shield. We illustrate our approach with a case-study of an experimental autonomous system that guides airplanes on taxiways using high-dimensional perception DNNs.
Authors: Dan Garber
Abstract: In was recently established that for convex optimization problems with a sparse optimal solution (may it be entry-wise sparsity or matrix rank-wise sparsity) it is possible to have linear convergence rates which depend on an improved mixed-norm condition number of the form $\frac{\beta_1{}s}{\alpha_2}$, where $\beta_1$ is the $\ell_1$-Lipchitz continuity constant of the gradient, $\alpha_2$ is the $\ell_2$-quadratic growth constant, and $s$ is the sparsity of the optimal solution. However, beyond the improved convergence rate, these methods are unable to leverage the sparsity of optimal solutions towards improving also the runtime of each iteration, which may still be prohibitively high for high-dimensional problems. In this work, we establish that linear convergence rates which depend on this improved condition number can be obtained using only sparse updates, which may result in overall significantly improved running times. Moreover, our methods are considerably easier to implement.
Authors: Kaito Baba, Chaoran Liu, Shuhei Kurita, Akiyoshi Sannai
Abstract: We present Prover Agent, a novel AI agent for automated theorem proving that integrates large language models (LLMs) with a formal proof assistant, Lean. Prover Agent coordinates an informal reasoning LLM, a formal prover model, and feedback from Lean while also generating auxiliary lemmas to assist in discovering the overall proof strategy. It achieves an 86.1% success rate on the MiniF2F benchmark, establishing a new state-of-the-art among methods using small language models (SLMs) with a much lower sample budget than previous approaches. We also present case studies illustrating how these generated lemmas contribute to solving challenging problems.
Authors: Yuheng Chen, Alexander Montes McNeil, Taehyuk Park, Blake A. Wilson, Vaishnavi Iyer, Michael Bezick, Jae-Ik Choi, Rohan Ojha, Pravin Mahendran, Daksh Kumar Singh, Geetika Chitturi, Peigang Chen, Trang Do, Alexander V. Kildishev, Vladimir M. Shalaev, Michael Moebius, Wenshan Cai, Yongmin Liu, Alexandra Boltasseva
Abstract: Photonic device development (PDD) has achieved remarkable success in designing and implementing new devices for controlling light across various wavelengths, scales, and applications, including telecommunications, imaging, sensing, and quantum information processing. PDD is an iterative, five-step process that consists of: i) deriving device behavior from design parameters, ii) simulating device performance, iii) finding the optimal candidate designs from simulations, iv) fabricating the optimal device, and v) measuring device performance. Classically, all these steps involve Bayesian optimization, material science, control theory, and direct physics-driven numerical methods. However, many of these techniques are computationally intractable, monetarily costly, or difficult to implement at scale. In addition, PDD suffers from large optimization landscapes, uncertainties in structural or optical characterization, and difficulties in implementing robust fabrication processes. However, the advent of machine learning over the past decade has provided novel, data-driven strategies for tackling these challenges, including surrogate estimators for speeding up computations, generative modeling for noisy measurement modeling and data augmentation, reinforcement learning for fabrication, and active learning for experimental physical discovery. In this review, we present a comprehensive perspective on these methods to enable machine-learning-assisted PDD (ML-PDD) for efficient design optimization with powerful generative models, fast simulation and characterization modeling under noisy measurements, and reinforcement learning for fabrication. This review will provide researchers from diverse backgrounds with valuable insights into this emerging topic, fostering interdisciplinary efforts to accelerate the development of complex photonic devices and systems.
Authors: He-Yang Xu, Hongxiang Gao, Yuwen Li, Xiu-Shen Wei, Chengyu Liu
Abstract: The diagnostic value of electrocardiogram (ECG) lies in its dynamic characteristics, ranging from rhythm fluctuations to subtle waveform deformations that evolve across time and frequency domains. However, supervised ECG models tend to overfit dominant and repetitive patterns, overlooking fine-grained but clinically critical cues, a phenomenon known as Simplicity Bias (SB), where models favor easily learnable signals over subtle but informative ones. In this work, we first empirically demonstrate the presence of SB in ECG analyses and its negative impact on diagnostic performance, while simultaneously discovering that self-supervised learning (SSL) can alleviate it, providing a promising direction for tackling the bias. Following the SSL paradigm, we propose a novel method comprising two key components: 1) Temporal-Frequency aware Filters to capture temporal-frequency features reflecting the dynamic characteristics of ECG signals, and 2) building on this, Multi-Grained Prototype Reconstruction for coarse and fine representation learning across dual domains, further mitigating SB. To advance SSL in ECG analyses, we curate a large-scale multi-site ECG dataset with 1.53 million recordings from over 300 clinical centers. Experiments on three downstream tasks across six ECG datasets demonstrate that our method effectively reduces SB and achieves state-of-the-art performance.
Authors: Khanh Son Pham, Christian Witte, Jens Behley, Johannes Betz, Cyrill Stachniss
Abstract: Most autonomous cars rely on the availability of high-definition (HD) maps. Current research aims to address this constraint by directly predicting HD map elements from onboard sensors and reasoning about the relationships between the predicted map and traffic elements. Despite recent advancements, the coherent online construction of HD maps remains a challenging endeavor, as it necessitates modeling the high complexity of road topologies in a unified and consistent manner. To address this challenge, we propose a coherent approach to predict lane segments and their corresponding topology, as well as road boundaries, all by leveraging prior map information represented by commonly available standard-definition (SD) maps. We propose a network architecture, which leverages hybrid lane segment encodings comprising prior information and denoising techniques to enhance training stability and performance. Furthermore, we facilitate past frames for temporal consistency. Our experimental evaluation demonstrates that our approach outperforms previous methods by a large margin, highlighting the benefits of our modeling scheme.
Authors: Yun Qu, Qi Wang, Yixiu Mao, Vincent Tao Hu, Bj\"orn Ommer, Xiangyang Ji
Abstract: Recent advances have witnessed the effectiveness of reinforcement learning (RL) finetuning in enhancing the reasoning capabilities of large language models (LLMs). The optimization process often requires numerous iterations to achieve satisfactory performance, resulting in high computational costs due to the need for frequent prompt evaluations under intensive LLM interactions and repeated policy updates. Appropriate online prompt selection methods reduce iteration steps by prioritizing informative prompts during training, while the pipeline's reliance on exhaustive prompt evaluation and subset selection for optimization still incurs substantial computational overhead due to frequent LLM inference calls. Distinguished from these direct evaluate-then-select schemes, this work investigates iterative approximate evaluation for arbitrary prompts and introduces Model Predictive Prompt Selection (MoPPS), a Bayesian risk-predictive framework that online estimates prompt difficulty without requiring costly LLM interactions. Technically, MoPPS models each prompt's success rate as a latent variable, performs streaming Bayesian inference, and employs posterior sampling in a constructed multi-armed bandit machine, enabling sample efficient and adaptive prompt selection. Extensive experiments across mathematics, planning, and vision-based geometry tasks show that MoPPS reliably predicts prompt difficulty and accelerates training with significantly reduced LLM rollouts.
Authors: Yizhe Zhang
Abstract: Manual annotation of medical images is a labor-intensive and time-consuming process, posing a significant bottleneck in the development and deployment of robust medical imaging AI systems. This paper introduces a novel hands-free Human-AI collaborative framework for medical image segmentation that substantially reduces the annotation burden by eliminating the need for explicit manual pixel-level labeling. The core innovation lies in a preference learning paradigm, where human experts provide minimal, intuitive feedback -- simply indicating whether an AI-generated segmentation is better or worse than a previous version. The framework comprises four key components: (1) an adaptable foundation model (FM) for feature extraction, (2) label propagation based on feature similarity, (3) a clicking agent that learns from human better-or-worse feedback to decide where to click and with which label, and (4) a multi-round segmentation learning procedure that trains a state-of-the-art segmentation network using pseudo-labels generated by the clicking agent and FM-based label propagation. Experiments on three public datasets demonstrate that the proposed approach achieves competitive segmentation performance using only binary preference feedback, without requiring experts to directly manually annotate the images.
Authors: Kaif Shaikh, Franziska Boenisch, Adam Dziedzic
Abstract: Vision AutoRegressive model (VAR) was recently introduced as an alternative to Diffusion Models (DMs) in image generation domain. In this work we focus on its adaptations, which aim to fine-tune pre-trained models to perform specific downstream tasks, like medical data generation. While for DMs there exist many techniques, adaptations for VAR remain underexplored. Similarly, differentially private (DP) adaptations-ones that aim to preserve privacy of the adaptation data-have been extensively studied for DMs, while VAR lacks such solutions. In our work, we implement and benchmark many strategies for VAR, and compare them to state-of-the-art DM adaptation strategies. We observe that VAR outperforms DMs for non-DP adaptations, however, the performance of DP suffers, which necessitates further research in private adaptations for VAR. Code is available at https://github.com/sprintml/finetuning_var_dp.
Authors: Jianzhe Ma, Wenxuan Wang, Qin Jin
Abstract: Geometry problem solving is a key area of mathematical reasoning, which is widely involved in many important fields such as education, mathematical ability assessment of artificial intelligence, and multimodal ability assessment. In recent years, the rapid development of deep learning technology, especially the rise of multimodal large language models, has triggered a widespread research boom. This paper provides a survey of the applications of deep learning in geometry problem solving, including (i) a comprehensive summary of the relevant tasks in geometry problem solving; (ii) a thorough review of related deep learning methods; (iii) a detailed analysis of evaluation metrics and methods; and (iv) a critical discussion of the current challenges and future directions that can be explored. Our goal is to provide a comprehensive and practical reference of deep learning for geometry problem solving to promote further developments in this field. We create a continuously updated list of papers on GitHub: https://github.com/majianz/dl4gps.
Authors: Jing Chang, Chang Liu, Jinbin Huang, Shuyuan Zheng, Rui Mao, Jianbin Qin
Abstract: Data preparation is a foundational yet notoriously challenging component of the machine learning lifecycle, characterized by a vast combinatorial search space. While reinforcement learning (RL) offers a promising direction, state-of-the-art methods suffer from a critical limitation: to manage the search space, they rely on rigid ``hard constraints'' that prematurely prune the search space and often preclude optimal solutions. To address this, we introduce SoftPipe, a novel RL framework that replaces these constraints with a flexible ``soft guidance'' paradigm. SoftPipe formulates action selection as a Bayesian inference problem. A high-level strategic prior, generated by a Large Language Model (LLM), probabilistically guides exploration. This prior is combined with empirical estimators from two sources through a collaborative process: a fine-grained quality score from a supervised Learning-to-Rank (LTR) model and a long-term value estimate from the agent's Q-function. Through extensive experiments on 18 diverse datasets, we demonstrate that SoftPipe achieves up to a 13.9\% improvement in pipeline quality and 2.8$\times$ faster convergence compared to existing methods.
Authors: Xiaoya Li, Xiaofei Sun, Albert Wang, Jiwei Li, Chris Shum
Abstract: The exponential growth in demand for GPU computing resources has created an urgent need for automated CUDA optimization strategies. While recent advances in LLMs show promise for code generation, current SOTA models achieve low success rates in improving CUDA speed. In this paper, we introduce CUDA-L1, an automated reinforcement learning framework for CUDA optimization that employs a novel contrastive RL algorithm. CUDA-L1 achieves significant performance improvements on the CUDA optimization task: trained on NVIDIA A100, it delivers an average speedup of x3.12 with a median speedup of x1.42 across all 250 CUDA kernels of KernelBench, with peak speedups reaching x120. Furthermore, the model also demonstrates portability across GPU architectures, achieving average speedups of x3.12 on L40, x2.50 on RTX 3090, x2.39 on H100, and x2.37 on H20 despite being optimized specifically for A100. The capabilities of CUDA-L1 demonstrate that, RL can transform an initially poor-performing LLM into an effective CUDA optimizer through speedup-based reward signals alone, without human expertise or domain knowledge. This paradigm opens possibilities for automated optimization of CUDA operations, and holds promise to substantially promote GPU efficiency and alleviate the rising pressure on GPU computing resources. We also identify important challenges posed by training RL models for tasks like CUDA development, where RL often learns to exploit loopholes in reward functions rather than solve the intended optimization problems. By identifying these failure modes and analyzing their root causes, we develop practical methods for creating more robust training procedures that prevent reward hacking.
Authors: Cyril Falcon, Hassan Mortada, Math\'eo Clavaud, Jean-Philippe Michel
Abstract: The Recursive KalmanNet, recently introduced by the authors, is a recurrent neural network guided by a Kalman filter, capable of estimating the state variables and error covariance of stochastic dynamic systems from noisy measurements, without prior knowledge of the noise characteristics. This paper explores its generalization capabilities in out-of-distribution scenarios, where the temporal dynamics of the test measurements differ from those encountered during training. Le Recursive KalmanNet, r\'ecemment introduit par les auteurs, est un r\'eseau de neurones r\'ecurrent guid\'e par un filtre de Kalman, capable d'estimer les variables d'\'etat et la covariance des erreurs des syst\`emes dynamiques stochastiques \`a partir de mesures bruit\'ees, sans connaissance pr\'ealable des caract\'eristiques des bruits. Cet article explore ses capacit\'es de g\'en\'eralisation dans des sc\'enarios hors distribution, o\`u les dynamiques temporelles des mesures de test diff\`erent de celles rencontr\'ees \`a l'entra\^inement.
Authors: Ravin Kumar
Abstract: We propose the APTx Neuron, a novel, unified neural computation unit that integrates non-linear activation and linear transformation into a single trainable expression. The APTx Neuron is derived from the APTx activation function, thereby eliminating the need for separate activation layers and making the architecture both computationally efficient and elegant. The proposed neuron follows the functional form $y = \sum_{i=1}^{n} ((\alpha_i + \tanh(\beta_i x_i)) \cdot \gamma_i x_i) + \delta$, where all parameters $\alpha_i$, $\beta_i$, $\gamma_i$, and $\delta$ are trainable. We validate our APTx Neuron-based architecture on the MNIST dataset, achieving up to 96.69% test accuracy within 11 epochs using approximately 332K trainable parameters. The results highlight the superior expressiveness and computational efficiency of the APTx Neuron compared to traditional neurons, pointing toward a new paradigm in unified neuron design and the architectures built upon it.
Authors: Bing-Ze Lu, Richard Tsai
Abstract: In many applications, one needs to learn a dynamical system from its solutions sampled at a finite number of time points. The learning problem is often formulated as an optimization problem over a chosen function class. However, in the optimization procedure, it is necessary to employ a numerical scheme to integrate candidate dynamical systems and assess how their solutions fit the data. This paper reveals potentially serious effects of a chosen numerical scheme on the learning outcome. In particular, our analysis demonstrates that a damped oscillatory system may be incorrectly identified as having "anti-damping" and exhibiting a reversed oscillation direction, despite adequately fitting the given data points.
Authors: Shanghai AI Lab, :, Xiaoyang Chen, Yunhao Chen, Zeren Chen, Zhiyun Chen, Hanyun Cui, Yawen Duan, Jiaxuan Guo, Qi Guo, Xuhao Hu, Hong Huang, Lige Huang, Chunxiao Li, Juncheng Li, Qihao Lin, Dongrui Liu, Xinmin Liu, Zicheng Liu, Chaochao Lu, Xiaoya Lu, Jingjing Qu, Qibing Ren, Jing Shao, Jingwei Shi, Jingwei Sun, Peng Wang, Weibing Wang, Jia Xu, Lewen Yan, Xiao Yu, Yi Yu, Boxuan Zhang, Jie Zhang, Weichen Zhang, Zhijie Zheng, Tianyi Zhou, Bowen Zhou
Abstract: To understand and identify the unprecedented risks posed by rapidly advancing artificial intelligence (AI) models, this report presents a comprehensive assessment of their frontier risks. Drawing on the E-T-C analysis (deployment environment, threat source, enabling capability) from the Frontier AI Risk Management Framework (v1.0) (SafeWork-F1-Framework), we identify critical risks in seven areas: cyber offense, biological and chemical risks, persuasion and manipulation, uncontrolled autonomous AI R\&D, strategic deception and scheming, self-replication, and collusion. Guided by the "AI-$45^\circ$ Law," we evaluate these risks using "red lines" (intolerable thresholds) and "yellow lines" (early warning indicators) to define risk zones: green (manageable risk for routine deployment and continuous monitoring), yellow (requiring strengthened mitigations and controlled deployment), and red (necessitating suspension of development and/or deployment). Experimental results show that all recent frontier AI models reside in green and yellow zones, without crossing red lines. Specifically, no evaluated models cross the yellow line for cyber offense or uncontrolled AI R\&D risks. For self-replication, and strategic deception and scheming, most models remain in the green zone, except for certain reasoning models in the yellow zone. In persuasion and manipulation, most models are in the yellow zone due to their effective influence on humans. For biological and chemical risks, we are unable to rule out the possibility of most models residing in the yellow zone, although detailed threat modeling and in-depth assessment are required to make further claims. This work reflects our current understanding of AI frontier risks and urges collective action to mitigate these challenges.
Authors: Yanjun Zheng, Xiyang Du, Longfei Liao, Xiaoke Zhao, Zhaowen Zhou, Jingze Song, Bo Zhang, Jiawei Liu, Xiang Qi, Zhe Li, Zhiqiang Zhang, Wei Wang, Peng Zhang
Abstract: Large Language Models (LLMs) exhibit considerable promise in financial applications; however, prevailing models frequently demonstrate limitations when confronted with scenarios that necessitate sophisticated reasoning capabilities, stringent trustworthiness criteria, and efficient adaptation to domain-specific requirements. We introduce the Agentar-Fin-R1 series of financial large language models (8B and 32B parameters), specifically engineered based on the Qwen3 foundation model to enhance reasoning capabilities, reliability, and domain specialization for financial applications. Our optimization approach integrates a high-quality, systematic financial task label system with a comprehensive multi-layered trustworthiness assurance framework. This framework encompasses high-quality trustworthy knowledge engineering, multi-agent trustworthy data synthesis, and rigorous data validation governance. Through label-guided automated difficulty-aware optimization, tow-stage training pipeline, and dynamic attribution systems, we achieve substantial improvements in training efficiency. Our models undergo comprehensive evaluation on mainstream financial benchmarks including Fineva, FinEval, and FinanceIQ, as well as general reasoning datasets such as MATH-500 and GPQA-diamond. To thoroughly assess real-world deployment capabilities, we innovatively propose the Finova evaluation benchmark, which focuses on agent-level financial reasoning and compliance verification. Experimental results demonstrate that Agentar-Fin-R1 not only achieves state-of-the-art performance on financial tasks but also exhibits exceptional general reasoning capabilities, validating its effectiveness as a trustworthy solution for high-stakes financial applications. The Finova bench is available at https://github.com/antgroup/Finova.
Authors: Zhongzhen Wen, Yinghui Zhang, Zhong Li, Zhongxin Liu, Linna Xie, Tian Zhang
Abstract: The automatic generation of deep learning (DL) kernels using large language models (LLMs) has emerged as a promising approach to reduce the manual effort and hardware-specific expertise required for writing high-performance operator implementations. However, existing benchmarks for evaluating LLMs in this domain suffer from limited hardware support, coarse-grained kernel categorization, and imbalanced task coverage. To address these limitations, we introduce MultiKernelBench, the first comprehensive, multi-platform benchmark for LLM-based DL kernel generation. MultiKernelBench spans 285 tasks across 14 well-defined kernel categories and supports three major hardware platforms: Nvidia GPUs, Huawei NPUs, and Google TPUs. To enable future extensibility, we design a modular backend abstraction layer that decouples platform-specific logic from the core benchmarking infrastructure, allowing easy integration of new hardware platforms. We further propose a simple yet effective category-aware one-shot prompting method that improves generation quality by providing in-category exemplars. Through systematic evaluations of seven state-of-the-art LLMs, we reveal significant variation in task difficulty, poor generalization to platforms with less training exposure, and the effectiveness of targeted prompting strategies. MultiKernelBench is publicly available at https://github.com/wzzll123/MultiKernelBench.
Authors: Milad Taghipour, Bane Vasic
Abstract: This paper explores the application of reinforcement learning techniques to enhance the performance of decoding of linear block codes based on flipping bits and finding optimal decisions. We describe the methodology for mapping the iterative decoding process into Markov Decision Processes (MDPs) and propose different methods to reduce the number of states in the MDP. A truncated MDP is proposed to reduce the number of states in the MDP by learning a Hamming ball with a specified radius around codewords. We then propose a general scheme for reinforcement learning based decoders applicable to any class of codes to improve the performance of decoders. We call this scheme an action-list decoding. We design an action-list decoder based on the Deep-Q network values that substantially enhance performance. We also get benefit of automorphism group of code to further improve the code performance. Additionally, we propose a feedback-based method to exploit and enhance the performance of existing high-performing decoders by applying reinforcement learning algorithms after the existing decoders. These approaches effectively reduces the complexity of the reinforcement learning block. Finally, we present experimental results for the Low-Density Parity Check (LDPC) codes over the Binary Symmetric Channel (BSC) to demonstrate the efficiency of the proposed methods.
Authors: Chu-Hsiang Huang, Chao-Kai Wen, Geoffrey Ye Li
Abstract: Artificial intelligence (AI) and machine learning (ML) models are rapidly permeating the 5G Radio Access Network (RAN), powering beam management, channel state information (CSI) feedback, positioning, and mobility prediction. However, without a standardized life-cycle management (LCM) framework, challenges, such as model drift, vendor lock-in, and limited transparency, hinder large-scale adoption. 3GPP Releases 16-20 progressively evolve AI/ML from experimental features to managed, interoperable network functions. Beginning with the Network Data Analytics Function (NWDAF) in Rel-16, subsequent releases introduced standardized interfaces for model transfer, execution, performance monitoring, and closed-loop control, culminating in Rel-20's two-sided CSI-compression Work Item and vendor-agnostic LCM profile. This article reviews the resulting five-block LCM architecture, KPI-driven monitoring mechanisms, and inter-vendor collaboration schemes, while identifying open challenges in resource-efficient monitoring, environment drift detection, intelligent decision-making, and flexible model training. These developments lay the foundation for AI-native transceivers as a key enabler for 6G.