Authors: Haaris Mian
Abstract: This thesis presents a physics-informed machine learning framework for solving the Floquet-Bloch eigenvalue problem associated with particles in two-dimensional periodic potentials, with a focus on honeycomb lattice geometry, due to its distinctive band topology featuring Dirac points and its relevance to materials such as graphene. By leveraging neural networks to learn complex Bloch functions and their associated eigenvalues (energies) simultaneously, we develop a mesh-free solver enforcing the governing Schr\"odinger equation, Bloch periodicity, and normalization constraints through a composite loss function without supervision. The model is trained over the Brillouin zone to recover band structures and Bloch modes, with numerical validation against traditional plane-wave expansion methods. We further explore transfer learning techniques to adapt the solver from nearly-free electron potentials to strongly varying potentials, demonstrating its ability to capture changes in band structure topology. This work contributes to the growing field of physics-informed machine learning for quantum eigenproblems, providing insights into the interplay between symmetry, band structure, and neural architectures.
Authors: Natalia Espinosa-Dice, Nicholas J. Jackson, Chao Yan, Aaron Lee, Bradley A. Malin
Abstract: Synthetic data generation (SDG) is a promising approach for enabling data sharing in biomedical studies while preserving patient privacy. Yet, state-of-the-art generative models often require large datasets and complex training procedures, limiting their applicability in small-sample settings. In this work, we reframe SDG as a reinforcement learning (RL) problem and introduce RLSyn, a novel framework that models the data generator as a stochastic policy over patient records and optimizes it using Proximal Policy Optimization with discriminator-derived rewards, yielding more stable and data-efficient training. We evaluate RLSyn on two biomedical datasets - AI-READI and MIMIC-IV- and benchmark it against state-of-the-art generative adversarial networks (GANs) and diffusion-based methods across extensive privacy, utility, and fidelity evaluations. RL-Syn performs comparably to diffusion models and outperforms GANs on MIMIC-IV, while outperforming both diffusion models and GANs on the smaller AI-READI dataset. These results demonstrate that reinforcement learning provides a principled and effective alternative for synthetic biomedical data generation, particularly in data-scarce regimes.
Authors: Giacomo Turri, Gr\'egoire Pacreau, Giacomo Meanti, Timoth\'ee Devergne, Daniel Ordonez, Erfan Mirzaei, Bruno Belucci, Karim Lounici, Vladimir Kostic, Massimiliano Pontil, Pietro Novelli
Abstract: kooplearn is a machine-learning library that implements linear, kernel, and deep-learning estimators of dynamical operators and their spectral decompositions. kooplearn can model both discrete-time evolution operators (Koopman/Transfer) and continuous-time infinitesimal generators. By learning these operators, users can analyze dynamical systems via spectral methods, derive data-driven reduced-order models, and forecast future states and observables. kooplearn's interface is compliant with the scikit-learn API, facilitating its integration into existing machine learning and data science workflows. Additionally, kooplearn includes curated benchmark datasets to support experimentation, reproducibility, and the fair comparison of learning algorithms. The software is available at https://github.com/Machine-Learning-Dynamical-Systems/kooplearn.
URLs: https://github.com/Machine-Learning-Dynamical-Systems/kooplearn.
Authors: Alimu Alibotaiken, Suyang Wang, Oluwaseun T. Ajayi, Yu Cheng
Abstract: The age of information (AoI) has become a central measure of data freshness in modern wireless systems, yet existing surveys either focus on classical AoI formulations or provide broad discussions of reinforcement learning (RL) in wireless networks without addressing freshness as a unified learning problem. Motivated by this gap, this survey examines RL specifically through the lens of AoI and generalized freshness optimization. We organize AoI and its variants into native, function-based, and application-oriented families, providing a clearer view of how freshness should be modeled in B5G and 6G systems. Building on this foundation, we introduce a policy-centric taxonomy that reflects the decisions most relevant to freshness, consisting of update-control RL, medium-access RL, risk-sensitive RL, and multi-agent RL. This structure provides a coherent framework for understanding how learning can support sampling, scheduling, trajectory planning, medium access, and distributed coordination. We further synthesize recent progress in RL-driven freshness control and highlight open challenges related to delayed decision processes, stochastic variability, and cross-layer design. The goal is to establish a unified foundation for learning-based freshness optimization in next-generation wireless networks.
Authors: Khondoker Mirazul Mumenin, Robert Underwood, Dong Dai, Jinzhen Wang, Sheng Di, Zarija Luki\'c, Franck Cappello
Abstract: Error-bounded lossy compression techniques have become vital for scientific data management and analytics, given the ever-increasing volume of data generated by modern scientific simulations and instruments. Nevertheless, assessing data quality post-compression remains computationally expensive due to the intensive nature of metric calculations. In this work, we present a general-purpose deep-surrogate framework for lossy compression quality prediction (DeepCQ), with the following key contributions: 1) We develop a surrogate model for compression quality prediction that is generalizable to different error-bounded lossy compressors, quality metrics, and input datasets; 2) We adopt a novel two-stage design that decouples the computationally expensive feature-extraction stage from the light-weight metrics prediction, enabling efficient training and modular inference; 3) We optimize the model performance on time-evolving data using a mixture-of-experts design. Such a design enhances the robustness when predicting across simulation timesteps, especially when the training and test data exhibit significant variation. We validate the effectiveness of DeepCQ on four real-world scientific applications. Our results highlight the framework's exceptional predictive accuracy, with prediction errors generally under 10\% across most settings, significantly outperforming existing methods. Our framework empowers scientific users to make informed decisions about data compression based on their preferred data quality, thereby significantly reducing I/O and computational overhead in scientific data analysis.
Authors: Shirui Chen, Jiantao Jiao, Lillian J. Ratliff, Banghua Zhu
Abstract: Masked diffusion language models (MDLMs) offer the potential for parallel token generation, but most open-source MDLMs decode fewer than 5 tokens per model forward pass even with sophisticated sampling strategies. As a result, their sampling speeds are often comparable to AR + speculative decoding schemes, limiting their advantage over mainstream autoregressive approaches. Existing distillation-based accelerators (dParallel, d3LLM) finetune MDLMs on trajectories generated by a base model, which can become off-policy during finetuning and restrict performance to the quality of the base model's samples. We propose \texttt{dUltra}, an on-policy reinforcement learning framework based on Group Relative Policy Optimization (GRPO) that learns unmasking strategies for efficient parallel decoding. dUltra introduces an unmasking planner head that predicts per-token unmasking likelihoods under independent Bernoulli distributions. We jointly optimize the base diffusion LLM and the unmasking order planner using reward signals combining verifiable reward, distillation reward, and the number of unmasking steps. Across mathematical reasoning and code generation tasks, dUltra improves the accuracy--efficiency trade-off over state-of-the-art heuristic and distillation baselines, moving towards achieving ``diffusion supremacy'' over autoregressive models.
Authors: Yongyi Yang, Liu Ziyin
Abstract: Many theoretical results in deep learning can be traced to symmetry or equivariance of neural networks under parameter transformations. However, existing analyses are typically problem-specific and focus on first-order consequences such as conservation laws, while the implications for second-order structure remain less understood. We develop a general equivariance toolbox that yields coupled first- and second-order constraints on learning dynamics. The framework extends classical Noether-type analyses in three directions: from gradient constraints to Hessian constraints, from symmetry to general equivariance, and from continuous to discrete transformations. At the first order, our framework unifies conservation laws and implicit-bias relations as special cases of a single identity. At the second order, it provides structural predictions about curvature: which directions are flat or sharp, how the gradient aligns with Hessian eigenspaces, and how the loss landscape geometry reflects the underlying transformation structure. We illustrate the framework through several applications, recovering known results while also deriving new characterizations that connect transformation structure to modern empirical observations about optimization geometry.
Authors: Lei Zhao, Zihao Ma, Boyu Lin, Yuhe Liu, Wenjun Wu, Lei Huang
Abstract: We present an RL-central framework for Language and Vision Assistants (RLLaVA) with its formulation of Markov decision process (MDP). RLLaVA decouples RL algorithmic logic from model architecture and distributed execution, supporting researchers in implementing new RL algorithms with minimal code, and to plug in a broad family of RL methods and vision-language models (VLMs) while remaining agnostic to specific training and inference engines. RLLaVA makes resource-efficient training of 1B--7B models feasible on common GPUs; notably, 4B-scale models can be trained end-to-end with full-parameter updates on a single 24GB GPU. Experiments on multi-modal and agentic tasks demonstrate that RLLaVA has task extensibility, and the models trained with it consistently improve performance over base models, competitive with other specially engineered RL frameworks. The code is available at https://github.com/TinyLoopX/RLLaVA.
Authors: Sukanya Krishna, Marie-Laure Charpignon, Maimuna Majumder
Abstract: Substance overdose mortality in the United States claimed over 80,000 lives in 2023, with the COVID-19 pandemic exacerbating existing trends through healthcare disruptions and behavioral changes. Estimating excess mortality, defined as deaths beyond expected levels based on pre-pandemic patterns, is essential for understanding pandemic impacts and informing intervention strategies. However, traditional statistical methods like SARIMA assume linearity, stationarity, and fixed seasonality, which may not hold under structural disruptions. We present a systematic comparison of SARIMA against three deep learning (DL) architectures (LSTM, Seq2Seq, and Transformer) for counterfactual mortality estimation using national CDC data (2015-2019 for training/validation, 2020-2023 for projection). We contribute empirical evidence that LSTM achieves superior point estimation (17.08% MAPE vs. 23.88% for SARIMA) and better-calibrated uncertainty (68.8% vs. 47.9% prediction interval coverage) when projecting under regime change. We also demonstrate that attention-based models (Seq2Seq, Transformer) underperform due to overfitting to historical means rather than capturing emergent trends. Ourreproducible pipeline incorporates conformal prediction intervals and convergence analysis across 60+ trials per configuration, and we provide an open-source framework deployable with 15 state health departments. Our findings establish that carefully validated DL models can provide more reliable counterfactual estimates than traditional methods for public health planning, while highlighting the need for calibration techniques when deploying neural forecasting in high-stakes domains.
Authors: Siyuan Li, Shikai Fang, Lei Cheng, Feng Yin, Yik-Chung Wu, Peter Gerstoft, Sergios Theodoridis
Abstract: Functional tensor decomposition can analyze multi-dimensional data with real-valued indices, paving the path for applications in machine learning and signal processing. A limitation of existing approaches is the assumption that the tensor rank-a critical parameter governing model complexity-is known. However, determining the optimal rank is a non-deterministic polynomial-time hard (NP-hard) task and there is a limited understanding regarding the expressive power of functional low-rank tensor models for continuous signals. We propose a rank-revealing functional Bayesian tensor completion (RR-FBTC) method. Modeling the latent functions through carefully designed multioutput Gaussian processes, RR-FBTC handles tensors with real-valued indices while enabling automatic tensor rank determination during the inference process. We establish the universal approximation property of the model for continuous multi-dimensional signals, demonstrating its expressive power in a concise format. To learn this model, we employ the variational inference framework and derive an efficient algorithm with closed-form updates. Experiments on both synthetic and real-world datasets demonstrate the effectiveness and superiority of the RR-FBTC over state-of-the-art approaches. The code is available at https://github.com/OceanSTARLab/RR-FBTC.
Authors: Aiwei Zhang, Arvind Pillai, Andrew Campbell, Nicholas C. Jacobson
Abstract: As wearable sensing becomes increasingly pervasive, a key challenge remains: how can we generate natural language summaries from raw physiological signals such as actigraphy - minute-level movement data collected via accelerometers? In this work, we introduce MotionTeller, a generative framework that natively integrates minute-level wearable activity data with large language models (LLMs). MotionTeller combines a pretrained actigraphy encoder with a lightweight projection module that maps behavioral embeddings into the token space of a frozen decoder-only LLM, enabling free-text, autoregressive generation of daily behavioral summaries. We construct a novel dataset of 54383 (actigraphy, text) pairs derived from real-world NHANES recordings, and train the model using cross-entropy loss with supervision only on the language tokens. MotionTeller achieves high semantic fidelity (BERTScore-F1 = 0.924) and lexical accuracy (ROUGE-1 = 0.722), outperforming prompt-based baselines by 7 percent in ROUGE-1. The average training loss converges to 0.38 by epoch 15, indicating stable optimization. Qualitative analysis confirms that MotionTeller captures circadian structure and behavioral transitions, while PCA plots reveal enhanced cluster alignment in embedding space post-training. Together, these results position MotionTeller as a scalable, interpretable system for transforming wearable sensor data into fluent, human-centered descriptions, introducing new pathways for behavioral monitoring, clinical review, and personalized health interventions.
Authors: Wenyuan Yang, Jie Xu, Hongqing He, Jiangzhang Gan, Xiaofeng Zhu
Abstract: Real-world multi-view data usually exhibits highly inconsistent missing patterns which challenges the effectiveness of incomplete multi-view clustering (IMVC). Although existing IMVC methods have made progress from both imputation-based and imputation-free routes, they have overlooked the pair under-utilization issue, i.e., inconsistent missing patterns make the incomplete but available multi-view pairs unable to be fully utilized, thereby limiting the model performance. To address this, we propose a novel missing-pattern tree based IMVC framework entitled TreeEIC. Specifically, to achieve full exploitation of available multi-view pairs, TreeEIC first defines the missing-pattern tree model to group data into multiple decision sets according to different missing patterns, and then performs multi-view clustering within each set. Furthermore, a multi-view decision ensemble module is proposed to aggregate clustering results from all decision sets, which infers uncertainty-based weights to suppress unreliable clustering decisions and produce robust decisions. Finally, an ensemble-to-individual knowledge distillation module transfers the ensemble knowledge to view-specific clustering models, which enables ensemble and individual modules to promote each other by optimizing cross-view consistency and inter-cluster discrimination losses. Extensive experiments on multiple benchmark datasets demonstrate that our TreeEIC achieves state-of-the-art IMVC performance and exhibits superior robustness under highly inconsistent missing patterns.
Authors: Lei Liu, Hao Zhu, Yue Shen, Zhixuan Chu, Jian Wang, Jinjie Gu, Kui Ren
Abstract: Continual Pre-training (CPT) serves as a fundamental approach for adapting foundation models to domain-specific applications. Scaling laws for pre-training define a power-law relationship between dataset size and the test loss of an LLM. However, the marginal gains from simply increasing data for CPT diminish rapidly, yielding suboptimal data utilization and inefficient training. To address this challenge, we propose a novel perplexity-aware data scaling law to establish a predictive relationship between the perplexity landscape of domain-specific data and the test loss. Our approach leverages the perplexity derived from the pre-trained model on domain data as a proxy for estimating the knowledge gap, effectively quantifying the informational perplexity landscape of candidate training samples. By fitting this scaling law across diverse perplexity regimes, we enable adaptive selection of high-utility data subsets, prioritizing content that maximizes knowledge absorption while minimizing redundancy and noise. Extensive experiments demonstrate that our method consistently identifies near-optimal training subsets and achieves superior performance on both medical and general-domain benchmarks.
Authors: Hongqing He, Jie Xu, Wenyuan Yang, Yonghua Zhu, Guoqiu Wen, Xiaofeng Zhu
Abstract: Recently, contrastive learning (CL) plays an important role in exploring complementary information for multi-view clustering (MVC) and has attracted increasing attention. Nevertheless, real-world multi-view data suffer from data incompleteness or noise, resulting in rare-paired samples or mis-paired samples which significantly challenges the effectiveness of CL-based MVC. That is, rare-paired issue prevents MVC from extracting sufficient multi-view complementary information, and mis-paired issue causes contrastive learning to optimize the model in the wrong direction. To address these issues, we propose a unified CL-based MVC framework for enhancing clustering effectiveness on incomplete and noise multi-view data. First, to overcome the rare-paired issue, we design a global-graph guided contrastive learning, where all view samples construct a global-view affinity graph to form new sample pairs for fully exploring complementary information. Second, to mitigate the mis-paired issue, we propose a local-graph weighted contrastive learning, which leverages local neighbors to generate pair-wise weights to adaptively strength or weaken the pair-wise contrastive learning. Our method is imputation-free and can be integrated into a unified global-local graph-guided contrastive learning framework. Extensive experiments on both incomplete and noise settings of multi-view data demonstrate that our method achieves superior performance compared with state-of-the-art approaches.
Authors: Egor Shulgin, Grigory Malinovsky, Sarit Khirirat, Peter Richt\'arik
Abstract: Federated Learning (FL) enables collaborative training on decentralized data. Differential privacy (DP) is crucial for FL, but current private methods often rely on unrealistic assumptions (e.g., bounded gradients or heterogeneity), hindering practical application. Existing works that relax these assumptions typically neglect practical FL features, including multiple local updates and partial client participation. We introduce Fed-$\alpha$-NormEC, the first differentially private FL framework providing provable convergence and DP guarantees under standard assumptions while fully supporting these practical features. Fed-$\alpha$-NormE integrates local updates (full and incremental gradient steps), separate server and client stepsizes, and, crucially, partial client participation, which is essential for real-world deployment and vital for privacy amplification. Our theoretical guarantees are corroborated by experiments on private deep learning tasks.
Authors: Aoyang Qin, Deqian Kong, Wei Wang, Ying Nian Wu, Song-Chun Zhu, Sirui Xie
Abstract: Conventional Reinforcement Learning (RL) algorithms, typically focused on estimating or maximizing expected returns, face challenges when refining offline pretrained models with online experiences. This paper introduces Generative Actor Critic (GAC), a novel framework that decouples sequential decision-making by reframing \textit{policy evaluation} as learning a generative model of the joint distribution over trajectories and returns, $p(\tau, y)$, and \textit{policy improvement} as performing versatile inference on this learned model. To operationalize GAC, we introduce a specific instantiation based on a latent variable model that features continuous latent plan vectors. We develop novel inference strategies for both \textit{exploitation}, by optimizing latent plans to maximize expected returns, and \textit{exploration}, by sampling latent plans conditioned on dynamically adjusted target returns. Experiments on Gym-MuJoCo and Maze2D benchmarks demonstrate GAC's strong offline performance and significantly enhanced offline-to-online improvement compared to state-of-the-art methods, even in absence of step-wise rewards.
Authors: Xinru Wen, Weizhong Lin, Xuan Xiao
Abstract: Accurate identification of antiviral peptides (AVPs) is critical for accelerating novel drug development. However, current computational methods struggle to capture intricate sequence dependencies and effectively handle ambiguous, hard-to-classify samples. To address these challenges, we propose AVP-Fusion, a novel two-stage deep learning framework integrating adaptive feature fusion and contrastive learning. Unlike traditional static feature concatenation, we construct a panoramic feature space using 10 distinct descriptors and introduce an Adaptive Gating Mechanism.This mechanism dynamically regulates the weights of local motifs extracted by CNNs and global dependencies captured by BiLSTMs based on sequence context. Furthermore, to address data distribution challenges, we employ a contrastive learning strategy driven by Online Hard Example Mining (OHEM) and BLOSUM62-based data augmentation, which significantly sharpens the model's decision boundaries. Experimental results on the benchmark Set 1 dataset demonstrate that AVP-Fusion achieves an accuracy of 0.9531 and an MCC of 0.9064, significantly outperforming state-of-the-art methods. In the second stage, leveraging transfer learning, the model enables precise subclass prediction for six viral families and eight specific viruses, even under limited sample sizes. In summary, AVP-Fusion serves as a robust and interpretable tool for high-throughput antiviral drug screening.
Authors: Patrick Yubeaton, Sarthak Gupta, M. Salman Asif, Chinmay Hegde
Abstract: The design of novel algorithms for solving inverse problems in signal processing is an incredibly difficult, heuristic-driven, and time-consuming task. In this short paper, we the idea of automated algorithm discovery in the signal processing context through meta-learning tools such as Neural Architecture Search (NAS). Specifically, we examine the Iterative Shrinkage Thresholding Algorithm (ISTA) and its accelerated Fast ISTA (FISTA) variant as candidates for algorithm rediscovery. We develop a meta-learning framework which is capable of rediscovering (several key elements of) the two aforementioned algorithms when given a search space of over 50,000 variables. We then show how our framework can apply to various data distributions and algorithms besides ISTA/FISTA.
Authors: Xiaobin Ren, Kaiqi Zhao, Katerina Ta\v{s}kova, Patricia Riddle
Abstract: Spatio-temporal kriging is a fundamental problem in sensor networks, driven by the sparsity of deployed sensors and the resulting missing observations. Although recent approaches model spatial and temporal correlations, they often under-exploit two practical characteristics of real deployments: the sparse spatial distribution of locations and the heterogeneous availability of auxiliary features across locations. To address these challenges, we propose AnchorGK, an Anchor-based Incremental and Stratified Graph Learning framework for inductive spatio-temporal kriging. AnchorGK introduces anchor locations to stratify the data in a principled manner. Anchors are constructed according to feature availability, and strata are then formed around these anchors. This stratification serves two complementary roles. First, it explicitly represents and continuously updates correlations between unobserved regions and surrounding observed locations within a graph learning framework. Second, it enables the systematic use of all available features across strata via an incremental representation mechanism, mitigating feature incompleteness without discarding informative signals. Building on the stratified structure, we design a dual-view graph learning layer that jointly aggregates feature-relevant and location-relevant information, learning stratum-specific representations that support accurate inference under inductive settings. Extensive experiments on multiple benchmark datasets demonstrate that AnchorGK consistently outperforms state-of-the-art baselines for spatio-temporal kriging.
Authors: Anthony Bolton, Wuyang Zhou, Zehua Chen, Giorgos Iacovides, Danilo Mandic
Abstract: Financial time series forecasting is particularly challenging for transformer-based time series foundation models (TSFMs) due to non-stationarity, heavy-tailed distributions, and high-frequency noise present in data. Low-rank adaptation (LoRA) has become a popular parameter-efficient method for adapting pre-trained TSFMs to downstream data domains. However, it still underperforms in financial data, as it preserves the network architecture and training objective of TSFMs rather than complementing the foundation model. To further enhance TSFMs, we propose a novel refinement module, RefineBridge, built upon a tractable Schr\"odinger Bridge (SB) generative framework. Given the forecasts of TSFM as generative prior and the observed ground truths as targets, RefineBridge learns context-conditioned stochastic transport maps to improve TSFM predictions, iteratively approaching the ground-truth target from even a low-quality prior. Simulations on multiple financial benchmarks demonstrate that RefineBridge consistently improves the performance of state-of-the-art TSFMs across different prediction horizons.
Authors: Xin Liu, Haoran Li, Dongbin Zhao
Abstract: Humans can efficiently extract knowledge and learn skills from the videos within only a few trials and errors. However, it poses a big challenge to replicate this learning process for autonomous agents, due to the complexity of visual input, the absence of action or reward signals, and the limitations of interaction steps. In this paper, we propose a novel, unsupervised, and sample-efficient framework to achieve imitation learning from videos (ILV), named Behavior Cloning from Videos via Latent Representations (BCV-LR). BCV-LR extracts action-related latent features from high-dimensional video inputs through self-supervised tasks, and then leverages a dynamics-based unsupervised objective to predict latent actions between consecutive frames. The pre-trained latent actions are fine-tuned and efficiently aligned to the real action space online (with collected interactions) for policy behavior cloning. The cloned policy in turn enriches the agent experience for further latent action finetuning, resulting in an iterative policy improvement that is highly sample-efficient. We conduct extensive experiments on a set of challenging visual tasks, including both discrete control and continuous control. BCV-LR enables effective (even expert-level on some tasks) policy performance with only a few interactions, surpassing state-of-the-art ILV baselines and reinforcement learning methods (provided with environmental rewards) in terms of sample efficiency across 24/28 tasks. To the best of our knowledge, this work for the first time demonstrates that videos can support extremely sample-efficient visual policy learning, without the need to access any other expert supervision.
Authors: Yusuf Brima, Marcellin Atemkeng
Abstract: Emergency and intensive care environments require predictive models that are both accurate and computationally efficient, yet clinical data in these settings are often severely imbalanced. Such skewness undermines model reliability, particularly for rare but clinically crucial outcomes, making robustness and scalability essential for real-world usage. In this paper, we systematically evaluate the robustness and scalability of classical machine learning models on imbalanced tabular data from MIMIC-IV-ED and eICU. Class imbalance was quantified using complementary metrics, and we compared the performance of tree-based methods, the state-of-the-art TabNet deep learning model, and a custom lightweight residual network. TabResNet was designed as a computationally efficient alternative to TabNet, replacing its complex attention mechanisms with a streamlined residual architecture to maintain representational capacity for real-time clinical use. All models were optimized via a Bayesian hyperparameter search and assessed on predictive performance, robustness to increasing imbalance, and computational scalability. Our results, on seven clinically vital predictive tasks, show that tree-based methods, particularly XGBoost, consistently achieved the most stable performance across imbalance levels and scaled efficiently with sample size. Deep tabular models degraded more sharply under imbalance and incurred higher computational costs, while TabResNet provided a lighter alternative to TabNet but did not surpass ensemble benchmarks. These findings indicate that in emergency and critical care, robustness to imbalance and computational scalability could outweigh architectural complexity. Tree-based ensemble methods currently offer the most practical and clinically feasible choice, equipping practitioners with a framework for selecting models suited to high-stakes, time-sensitive environments.
Authors: Jagaran Chakma, Zhiguang Zhou, Jyoti Chakma, Cao YuSen
Abstract: This study presents a data-driven, multi-objective approach to predict the mechanical performance, flow ability, and porosity of Ultra-High-Performance Concrete (UHPC). Out of 21 machine learning algorithms tested, five high-performing models are selected, with XGBoost showing the best accuracy after hyperparameter tuning using Random Search and K-Fold Cross-Validation. The framework follows a two-stage process: the initial XGBoost model is built using raw data, and once selected as the final model, the dataset is cleaned by (1) removing multicollinear features, (2) identifying outliers with Isolation Forest, and (3) selecting important features using SHAP analysis. The refined dataset as model 2 is then used to retrain XGBoost, which achieves high prediction accuracy across all outputs. A graphical user interface (GUI) is also developed to support material designers. Overall, the proposed framework significantly improves the prediction accuracy and minimizes the need for extensive experimental testing in UHPC mix design.
Authors: Qiuqi Li, Yiting Liu, Jin Zhao, Wencan Zhu
Abstract: Parametric partial differential equations (PDEs) are fundamental for modeling a wide range of physical and engineering systems influenced by uncertain or varying parameters. Traditional neural network-based solvers, such as Physics-Informed Neural Networks (PINNs) and Deep Galerkin Methods, often face challenges in generalization and long-time prediction efficiency due to their dependence on full space-time approximations. To address these issues, we propose a novel and scalable framework that significantly enhances the Neural Galerkin Method (NGM) by incorporating the Meta-Auto-Decoder (MAD) paradigm. Our approach leverages space-time decoupling to enable more stable and efficient time integration, while meta-learning-driven adaptation allows rapid generalization to unseen parameter configurations with minimal retraining. Furthermore, randomized sparse updates effectively reduce computational costs without compromising accuracy. Together, these advancements enable our method to achieve physically consistent, long-horizon predictions for complex parameterized evolution equations with significantly lower computational overhead. Numerical experiments on benchmark problems demonstrate that our methods performs comparatively well in terms of accuracy, robustness, and adaptability.
Authors: Jagaran Chakma, Zhiguang Zhou, Badhan Chakma
Abstract: This research develops and evaluates machine learning models to predict the mechanical properties of steel-polypropylene fiber-reinforced high-performance concrete (HPC). Three model families were investigated: Extra Trees with XGBoost (ET-XGB), Random Forest with LightGBM (RF-LGBM), and Transformer with XGBoost (Transformer-XGB). The target properties included compressive strength (CS), flexural strength (FS), and tensile strength (TS), based on an extensive dataset compiled from published experimental studies. Model training involved k-fold cross-validation, hyperparameter optimization, Shapley additive explanations (SHAP), and uncertainty analysis to ensure both robustness and interpretability. Among the tested approaches, the ET-XGB model achieved the highest overall accuracy, with testing R^2 values of 0.994 for CS, 0.944 for FS, and 0.978 for TS and exhibited lowest uncertainty for CS and TS (approximately 13-16% and 30.4%, respectively). The RF-LGBM model provided the most stable and reliable predictions for FS (R^2 0.977), yielding the lowest uncertainty for FS (approximately 5-33%). The Transformer-XGB model demonstrated strong predictive capability (R^2 0.978 for TS and 0.967 for FS) but consistently showed the highest uncertainty, indicating reduced generalization reliability. SHAP analysis further indicated that fiber aspect ratios (AR1 and AR2), silica fume (Sfu), and steel fiber content (SF) were the most influential predictors of strength, whereas water content (W) and the water-binder ratio (w/b) consistently had negative effects. The findings confirm that machine learning models can provide accurate, interpretable, and generalizable predictions of HPC mechanical properties. These models offer valuable tools for optimizing concrete mix design and enhancing structural performance evaluation in engineering applications.
Authors: Maximilian Weichart
Abstract: Monte Carlo Tree Search (MCTS) has profoundly influenced reinforcement learning (RL) by integrating planning and learning in tasks requiring long-horizon reasoning, exemplified by the AlphaZero family of algorithms. Central to MCTS is the search strategy, governed by a tree policy based on an upper confidence bound (UCB) applied to trees (UCT). A key factor in the success of AlphaZero is the introduction of a prior term in the UCB1-based tree policy PUCT, which improves exploration efficiency and thus accelerates training. While many alternative UCBs with stronger theoretical guarantees than UCB1 exist, extending them to prior-based UCTs has been challenging, since PUCT was derived empirically rather than from first principles. Recent work retrospectively justified PUCT by framing MCTS as a regularized policy optimization (RPO) problem. Building on this perspective, we introduce Inverse-RPO, a general methodology that systematically derives prior-based UCTs from any prior-free UCB. Applying this method to the variance-aware UCB-V, we obtain two new prior-based tree policies that incorporate variance estimates into the search. Experiments indicate that these variance-aware prior-based UCTs outperform PUCT across multiple benchmarks without incurring additional computational cost. We also provide an extension of the mctx library supporting variance-aware UCTs, showing that the required code changes are minimal and intended to facilitate further research on principled prior-based UCTs. Code: github.com/Max-We/inverse-rpo.
Authors: Xiao Liu, Junchen Jin, Yanjie Zhao, Zhixuan Xing
Abstract: Multimodal Unsupervised Anomaly Detection (UAD) is critical for quality assurance in smart manufacturing, particularly in complex processes like robotic welding. However, existing methods often suffer from causal blindness, treating process modalities (e.g., real-time video, audio, and sensors) and result modalities (e.g., post-weld images) as equal feature sources, thereby ignoring the inherent physical generative logic. Furthermore, the heterogeneity gap between high-dimensional visual data and low-dimensional sensor signals frequently leads to critical process context being drowned out. In this paper, we propose Causal-HM, a unified multimodal UAD framework that explicitly models the physical Process to Result dependency. Specifically, our framework incorporates two key innovations: a Sensor-Guided CHM Modulation mechanism that utilizes low-dimensional sensor signals as context to guide high-dimensional audio-visual feature extraction , and a Causal-Hierarchical Architecture that enforces a unidirectional generative mapping to identify anomalies that violate physical consistency. Extensive experiments on our newly constructed Weld-4M benchmark across four modalities demonstrate that Causal-HM achieves a state-of-the-art (SOTA) I-AUROC of 90.7%. Code will be released after the paper is accepted.
Authors: Dung Anh Hoang, Cuong Pham, Cuong Nguyen, Trung le, Jianfei Cai, Thanh-Toan Do
Abstract: Large Language Models (LLMs) deliver strong performance across a wide range of NLP tasks, but their massive sizes hinder deployment on resource-constrained devices. To reduce their computational and memory burden, various compression techniques have been proposed, including quantization, pruning, and knowledge distillation. Among these, post-training quantization (PTQ) is widely adopted for its efficiency, as it requires no retraining and only a small dataset for calibration, enabling low-cost deployment. Recent advances for post-training quantization have demonstrated that even sub-4-bit methods can maintain most of the original model performance. However, 1-bit quantization that converts floating-point weights to \(\pm\)1, remains particularly challenging, as existing 1-bit PTQ methods often suffer from significant performance degradation compared to the full-precision models. Specifically, most of existing 1-bit PTQ approaches focus on weight alignment, aligning the full-precision model weights with those of the quantized models, rather than directly aligning their outputs. Although the output-matching approach objective is more intuitive and aligns with the quantization goal, naively applying it in 1-bit LLMs often leads to notable performance degradation. In this paper, we investigate why and under what conditions output-matching fails, in the context of 1-bit LLM quantization. Based on our findings, we propose a novel data-aware PTQ approach for 1-bit LLMs that explicitly accounts for activation error accumulation while keeping optimization efficient. Empirical experiments demonstrate that our solution consistently outperforms existing 1-bit PTQ methods with minimal overhead.
Authors: Angshul Majumdar
Abstract: Generative adversarial networks (GANs) are widely used for distribution learning, yet their classical formulations remain theoretically fragile, with ill-posed objectives, unstable training dynamics, and limited interpretability. In this work, we introduce \emph{Dictionary-Transform Generative Adversarial Networks} (DT-GAN), a fully model-based adversarial framework in which the generator is a sparse synthesis dictionary and the discriminator is an analysis transform acting as an energy model. By restricting both players to linear operators with explicit constraints, DT-GAN departs fundamentally from neural GAN architectures and admits rigorous theoretical analysis. We show that the DT-GAN adversarial game is well posed and admits at least one Nash equilibrium. Under a sparse generative model, equilibrium solutions are provably identifiable up to standard permutation and sign ambiguities and exhibit a precise geometric alignment between synthesis and analysis operators. We further establish finite-sample stability and consistency of empirical equilibria, demonstrating that DT-GAN training converges reliably under standard sampling assumptions and remains robust in heavy-tailed regimes. Experiments on mixture-structured synthetic data validate the theoretical predictions, showing that DT-GAN consistently recovers underlying structure and exhibits stable behavior under identical optimization budgets where a standard GAN degrades. DT-GAN is not proposed as a universal replacement for neural GANs, but as a principled adversarial alternative for data distributions that admit sparse synthesis structure. The results demonstrate that adversarial learning can be made interpretable, stable, and provably correct when grounded in classical sparse modeling.
Authors: Haochen Lv, Yan Lin, Shengnan Guo, Xiaowei Mao, Hong Nie, Letian Gong, Youfang Lin, Huaiyu Wan
Abstract: Accurate traffic flow forecasting is crucial for intelligent transportation services such as navigation and ride-hailing. In such applications, uncertainty estimation in forecasting is important because it helps evaluate traffic risk levels, assess forecast reliability, and provide timely warnings. As a result, probabilistic traffic flow forecasting (PTFF) has gained significant attention, as it produces both point forecasts and uncertainty estimates. However, existing PTFF approaches still face two key challenges: (1) how to uncover and model the causes of traffic flow uncertainty for reliable forecasting, and (2) how to capture the spatiotemporal correlations of uncertainty for accurate prediction. To address these challenges, we propose RIPCN, a Road Impedance Principal Component Network that integrates domain-specific transportation theory with spatiotemporal principal component learning for PTFF. RIPCN introduces a dynamic impedance evolution network that captures directional traffic transfer patterns driven by road congestion level and flow variability, revealing the direct causes of uncertainty and enhancing both reliability and interpretability. In addition, a principal component network is designed to forecast the dominant eigenvectors of future flow covariance, enabling the model to capture spatiotemporal uncertainty correlations. This design allows for accurate and efficient uncertainty estimation while also improving point prediction performance. Experimental results on real-world datasets show that our approach outperforms existing probabilistic forecasting methods.
Authors: Shizhe He, Avanika Narayan, Ishan S. Khare, Scott W. Linderman, Christopher R\'e, Dan Biderman
Abstract: Agentic language model (LM) systems power modern applications like "Deep Research" and "Claude Code," and leverage multi-LM architectures to overcome context limitations. Beneath their apparent diversity lies a recurring pattern: smaller "compressor" LMs (that can even run locally) distill raw context into compact text that is then consumed by larger "predictor" LMs. Despite their popularity, the design of compressor-predictor systems remains largely ad hoc, with little guidance on how compressor and predictor choices shape downstream performance. In practice, attributing gains to compression versus prediction requires costly, task-specific pairwise sweeps. We argue that these agentic system design questions are, at root, information-theoretic. Viewing the compressor LM as a noisy channel, we introduce a simple estimator of mutual information between the context and its compression to quantify compression quality in a task-independent way. We show that mutual information strongly predicts downstream performance, independent of any specific task. Through an information-theoretic framework, we perform a comprehensive empirical analysis across five datasets and three model families. Results reveal that larger compressors not only are more accurate, but also more token-efficient, conveying more bits of information per token. A 7B Qwen-2.5 compressor, for instance, is $1.6\times$ more accurate, $4.6\times$ more concise, and conveys $5.5\times$ more bits of mutual information per token than its 1.5B sibling. Across datasets, scaling compressors is substantially more effective than scaling predictors, enabling larger on-device compressors to pair with smaller cloud predictors. Applied to a Deep Research system, these principles enable local compressors as small as 3B parameters to recover $99\%$ of frontier-LM accuracy at $26\%$ of API costs.
Authors: Hengyi Wu, Zhenyi Wang, Heng Huang
Abstract: Continual learning aims to acquire new tasks while preserving performance on previously learned ones, but most methods struggle with catastrophic forgetting. Existing approaches typically treat all layers uniformly, often trading stability for plasticity or vice versa. However, different layers naturally exhibit varying levels of uncertainty (entropy) when classifying tasks. High-entropy layers tend to underfit by failing to capture task-specific patterns, while low-entropy layers risk overfitting by becoming overly confident and specialized. To address this imbalance, we propose an entropy-aware continual learning method that employs a dynamic feedback mechanism to regulate each layer based on its entropy. Specifically, our approach reduces entropy in high-entropy layers to mitigate underfitting and increases entropy in overly confident layers to alleviate overfitting. This adaptive regulation encourages the model to converge to wider local minima, which have been shown to improve generalization. Our method is general and can be seamlessly integrated with both replay- and regularization-based approaches. Experiments on various datasets demonstrate substantial performance gains over state-of-the-art continual learning baselines.
Authors: Takashi Isozaki, Masahiro Yamamoto, Atsushi Noda
Abstract: The problem of explaining the results produced by machine learning methods continues to attract attention. Neural network (NN) models, along with gradient boosting machines, are expected to be utilized even in tabular data with high prediction accuracy. This study addresses the related issues of pseudo-correlation, causality, and combinatorial reasons for tabular data in NN predictors. We propose a causal explanation method, CENNET, and a new explanation power index using entropy for the method. CENNET provides causal explanations for predictions by NNs and uses structural causal models (SCMs) effectively combined with the NNs although SCMs are usually not used as predictive models on their own in terms of predictive accuracy. We show that CEN-NET provides such explanations through comparative experiments with existing methods on both synthetic and quasi-real data in classification tasks.
Authors: Konstantin Yakovlev, Nikita Puchkin
Abstract: We derive an approximation error bound that holds simultaneously for a function and all its derivatives up to any prescribed order. The bounds apply to elementary functions, including multivariate polynomials, the exponential function, and the reciprocal function, and are obtained using feedforward neural networks with the Gaussian Error Linear Unit (GELU) activation. In addition, we report the network size, weight magnitudes, and behavior at infinity. Our analysis begins with a constructive approximation of multiplication, where we prove the simultaneous validity of error bounds over domains of increasing size for a given approximator. Leveraging this result, we obtain approximation guarantees for division and the exponential function, ensuring that all higher-order derivatives of the resulting approximators remain globally bounded.
Authors: Aicha Boutorh, Kamar Hibatallah Baghdadi, Anais Daoud
Abstract: Genomic prediction of drug resistance in Mycobacterium tuberculosis remains challenging due to complex epistatic interactions and highly variable sequencing data quality. We present a novel Interpretable Variant-Aware Multi-Path Network (VAMP-Net) that addresses both challenges through complementary machine learning pathways. Path-1 employs a Set Attention Transformer processing permutation-invariant variant sets to capture epistatic interactions between genomic loci. Path-2 utilizes a 1D Convolutional Neural Network that analyzes Variant Call Format quality metrics to learn adaptive confidence scores. A fusion module combines both pathways for final resistance classification. We conduct comparative evaluations of unmasked versus padding-masked Set Attention Blocks, and demonstrate that our multi-path architecture achieves superior performance over baseline CNN and MLP models, with accuracy exceeding 95% and AUC around 97% for Rifampicin (RIF) and Rifabutin (RFB) resistance prediction. The framework provides dual-layer interpretability: Attention Weight Analysis reveals Epistatic networks, and Integrated Gradients (IG) was applied for critical resistance loci (notably rpoB), while gradient-based feature importance from the CNN pathway uncovers drug-specific dependencies on data quality metrics. This architecture advances clinical genomics by delivering state-of-the-art predictive performance alongside auditable interpretability at two distinct levels, genetic causality of mutation sets and technical confidence of sequencing evidence, establishing a new paradigm for robust, clinically-actionable resistance prediction.
Authors: Christophe D. Hounwanou, Yae Ulrich Gaba, Pierre Ntakirutimana
Abstract: Data scarcity and confidentiality in finance often impede model development and robust testing. This paper presents a unified multi-criteria evaluation framework for synthetic financial data and applies it to three representative generative paradigms: the statistical ARIMA-GARCH baseline, Variational Autoencoders (VAEs), and Time-series Generative Adversarial Networks (TimeGAN). Using historical S and P 500 daily data, we evaluate fidelity (Maximum Mean Discrepancy, MMD), temporal structure (autocorrelation and volatility clustering), and practical utility in downstream tasks, specifically mean-variance portfolio optimization and volatility forecasting. Empirical results indicate that ARIMA-GARCH captures linear trends and conditional volatility but fails to reproduce nonlinear dynamics; VAEs produce smooth trajectories that underestimate extreme events; and TimeGAN achieves the best trade-off between realism and temporal coherence (e.g., TimeGAN attained the lowest MMD: 1.84e-3, average over 5 seeds). Finally, we articulate practical guidelines for selecting generative models according to application needs and computational constraints. Our unified evaluation protocol and reproducible codebase aim to standardize benchmarking in synthetic financial data research.
Authors: Krishna Chaitanya Sunkara, Rambabu Konakanchi
Abstract: AI data centers which are GPU centric, have adopted liquid cooling to handle extreme heat loads, but coolant leaks result in substantial energy loss through unplanned shutdowns and extended repair periods. We present a proof-of-concept smart IoT monitoring system combining LSTM neural networks for probabilistic leak forecasting with Random Forest classifiers for instant detection. Testing on synthetic data aligned with ASHRAE 2021 standards, our approach achieves 96.5% detection accuracy and 87% forecasting accuracy at 90% probability within plus or minus 30-minute windows. Analysis demonstrates that humidity, pressure, and flow rate deliver strong predictive signals, while temperature exhibits minimal immediate response due to thermal inertia in server hardware. The system employs MQTT streaming, InfluxDB storage, and Streamlit dashboards, forecasting leaks 2-4 hours ahead while identifying sudden events within 1 minute. For a typical 47-rack facility, this approach could prevent roughly 1,500 kWh annual energy waste through proactive maintenance rather than reactive emergency procedures. While validation remains synthetic-only, results establish feasibility for future operational deployment in sustainable data center operations.
Authors: Vedant Shah, Johan Obando-Ceron, Vineet Jain, Brian Bartoldson, Bhavya Kailkhura, Sarthak Mittal, Glen Berseth, Pablo Samuel Castro, Yoshua Bengio, Nikolay Malkin, Moksh Jain, Siddarth Venkatraman, Aaron Courville
Abstract: The reasoning performance of large language models (LLMs) can be substantially improved by training them with reinforcement learning (RL). The RL objective for LLM training involves a regularization term, which is the reverse Kullback-Leibler (KL) divergence between the trained policy and the reference policy. Since computing the KL divergence exactly is intractable, various estimators are used in practice to estimate it from on-policy samples. Despite its wide adoption, including in several open-source libraries, there is no systematic study analyzing the numerous ways of incorporating KL estimators in the objective and their effect on the downstream performance of RL-trained models. Recent works show that prevailing practices for incorporating KL regularization do not provide correct gradients for stated objectives, creating a discrepancy between the objective and its implementation. In this paper, we further analyze these practices and study the gradients of several estimators configurations, revealing how design choices shape gradient bias. We substantiate these findings with empirical observations by RL fine-tuning \texttt{Qwen2.5-7B}, \texttt{Llama-3.1-8B-Instruct} and \texttt{Qwen3-4B-Instruct-2507} with different configurations and evaluating their performance on both in- and out-of-distribution tasks. Through our analysis, we observe that, in on-policy settings: (1) estimator configurations with biased gradients can result in training instabilities; and (2) using estimator configurations resulting in unbiased gradients leads to better performance on in-domain as well as out-of-domain tasks. We also investigate the performance resulting from different KL configurations in off-policy settings and observe that KL regularization can help stabilize off-policy RL training resulting from asynchronous setups.
Authors: Yiming Qian, Thorsten Neumann, Xueyining Huang, David Hardoon, Fei Gao, Yong Liu, Siow Mong Rick Goh
Abstract: We propose an explainable, privacy-preserving dataset distillation framework for collaborative financial fraud detection. A trained random forest is converted into transparent, axis-aligned rule regions (leaf hyperrectangles), and synthetic transactions are generated by uniformly sampling within each region. This produces a compact, auditable surrogate dataset that preserves local feature interactions without exposing sensitive original records. The rule regions also support explainability: aggregated rule statistics (for example, support and lift) describe global patterns, while assigning each case to its generating region gives concise human-readable rationales and calibrated uncertainty based on tree-vote disagreement. On the IEEE-CIS fraud dataset (590k transactions across three institution-like clusters), distilled datasets reduce data volume by 85% to 93% (often under 15% of the original) while maintaining competitive precision and micro-F1, with only a modest AUC drop. Sharing and augmenting with synthesized data across institutions improves cross-cluster precision, recall, and AUC. Real vs. synthesized structure remains highly similar (over 93% by nearest-neighbor cosine analysis). Membership-inference attacks perform at chance level (about 0.50) when distinguishing training from hold-out records, suggesting low memorization risk. Removing high-uncertainty synthetic points using disagreement scores further boosts AUC (up to 0.687) and improves calibration. Sensitivity tests show weak dependence on the distillation ratio (AUC about 0.641 to 0.645 from 6% to 60%). Overall, tree-region distillation enables trustworthy, deployable fraud analytics with interpretable global rules, per-case rationales with quantified uncertainty, and strong privacy properties suitable for multi-institution settings and regulatory audit.
Authors: Carolina Apar\'icio, Qi Shi, Bo Wen, Tesfaye Yadete, Qiwei Han
Abstract: Addressing the challenge of multimodal data fusion in high-dimensional biomedical informatics, we propose MMCTOP, a MultiModal Clinical-Trial Outcome Prediction framework that integrates heterogeneous biomedical signals spanning (i) molecular structure representations, (ii) protocol metadata and long-form eligibility narratives, and (iii) disease ontologies. MMCTOP couples schema-guided textualization and input-fidelity validation with modality-aware representation learning, in which domain-specific encoders generate aligned embeddings that are fused by a transformer backbone augmented with a drug-disease-conditioned sparse Mixture-of-Experts (SMoE). This design explicitly supports specialization across therapeutic and design subspaces while maintaining scalable computation through top-k routing. MMCTOP achieves consistent improvements in precision, F1, and AUC over unimodal and multimodal baselines on benchmark datasets, and ablations show that schema-guided textualization and selective expert routing contribute materially to performance and stability. We additionally apply temperature scaling to obtain calibrated probabilities, ensuring reliable risk estimation for downstream decision support. Overall, MMCTOP advances multimodal trial modeling by combining controlled narrative normalization, context-conditioned expert fusion, and operational safeguards aimed at auditability and reproducibility in biomedical informatics.
Authors: Theo Datta, Kayla Huang, Sham Kakade, David Brandfonbrener
Abstract: While most frontier models still use deterministic frequency-based tokenization algorithms such as byte-pair encoding (BPE), there has been significant recent work to design learned neural tokenizers. However, these schemes generally add to underlying language model complexity and force large changes to architecture, making them hard to implement at large scales. To overcome these challenges, we propose the gated quantized variational autoencoder (GQ-VAE), a novel architecture that can be independently pre-trained to serve as a drop-in replacement for existing tokenizers. The key innovation of the architecture is to learn to encode variable-length discrete tokens. GQ-VAE improves compression and language modeling performance over a standard VQ-VAE tokenizer, and approaches the compression rate and language modeling performance of BPE. Interestingly, if we use BPE with a smaller vocabulary, such that the compression is equivalent between GQ-VAE and BPE, we find that GQ-VAE improves downstream language model learning. We conclude with a discussion of several exciting avenues for future work. Code can be found at https://github.com/Theo-Datta-115/gq-vae.
Authors: Yafeng Tang, Xiaoou Ding, Jianzhuo Du, Zishuo Yan, Zhuang Ma, Zheng Liang, Zekai Qian, Hongzhi Wang
Abstract: Tabular data generation has become increasingly essential for enabling robust machine learning applications, which require large-scale, high-quality data. Existing solutions leverage generative models to learn original data distributions. However, real-world data are naturally heterogeneous with diverse distributions, making it challenging to obtain a universally good model for diverse data generation. To address this limitation, we introduce Diversity-Aware Tabular data gEnerator (DATE), a framework that (i) prepares high-quality and distributionally distinct examples for in-context learning by effectively partitioning the original heterogeneous data into multiple diverse subsets; (ii) harnesses Large Language Models (LLMs) to explore the diversity of the partitioned distribution with decision tree reasoning as feedback, generating high-quality labeled data for each subset. However, the massive generated data inherently involves a trade-off between diversity and quality. To integrate this issue, existing solutions greedily select the validation-best data. However, we prove that the selection in heterogeneous settings does not possess the greedy-choice property, and design a Multi-Arm Bandit-based sampling algorithm that balances the diversity and quality of generated data. Extensive experiments on tabular classification and regression benchmarks demonstrate that DATE consistently outperforms state-of-the-art GAN-based and LLM-based methods. On average, DATE achieves a 23.75% reduction in error rate with just 100 generated data. Empirically, we demonstrate that data generated by DATE can improve the accuracy of Direct Preference Optimization (DPO) and enhance the reasoning capability of LLMs on the target data. Code is available at https://github.com/windblow32/DATE.
Authors: Nathan Kallus
Abstract: Aligning large language models to preference data is commonly implemented by assuming a known link function between the distribution of observed preferences and the unobserved rewards (e.g., a logistic link as in Bradley-Terry). If the link is wrong, however, inferred rewards can be biased and policies be misaligned. We study policy alignment to preferences under an unknown and unrestricted link. We consider an $f$-divergence-constrained reward maximization problem and show that realizability of the solution in a policy class implies a semiparametric single-index binary choice model, where a scalar-valued index determined by a policy captures the dependence on demonstrations and the rest of the preference distribution is an unrestricted function thereof. Rather than focus on estimation of identifiable finite-dimensional structural parameters in the index as in econometrics, we focus on policy learning, focusing on error to the optimal policy and allowing unidentifiable and nonparametric indices. We develop a variety of policy learners based on profiling the link function, orthogonalizing the link function, and using link-agnostic bipartite ranking objectives. We analyze these and provide finite-sample policy error bounds that depend on generic functional complexity measures of the index class. We further consider practical implementations using first-order optimization suited to neural networks and batched data. The resulting methods are robust to unknown preference noise distribution and scale, while preserving the direct optimization of policies without explicitly fitting rewards.
Authors: Kongchang Zhou, Tingyu Zhang, Wei Chen, Fang Kong
Abstract: The problem of combinatorial multi-armed bandits with probabilistically triggered arms (CMAB-T) has been extensively studied. Prior work primarily focuses on either the online setting where an agent learns about the unknown environment through iterative interactions, or the offline setting where a policy is learned solely from logged data. However, each of these paradigms has inherent limitations: online algorithms suffer from high interaction costs and slow adaptation, while offline methods are constrained by dataset quality and lack of exploration capabilities. To address these complementary weaknesses, we propose hybrid CMAB-T, a new framework that integrates offline data with online interaction in a principled manner. Our proposed hybrid CUCB algorithm leverages offline data to guide exploration and accelerate convergence, while strategically incorporating online interactions to mitigate the insufficient coverage or distributional bias of the offline dataset. We provide theoretical guarantees on the algorithm's regret, demonstrating that hybrid CUCB significantly outperforms purely online approaches when high-quality offline data is available, and effectively corrects the bias inherent in offline-only methods when the data is limited or misaligned. Empirical results further demonstrate the consistent advantage of our algorithm.
Authors: Aicha Boutorh, Soumia Bouyahiaoui, Sara Belhadj, Nour El Yakine Guendouz, Manel Kara Laouar
Abstract: Predicting the binding affinity between antigens and antibodies is fundamental to drug discovery and vaccine development. Traditional computational approaches often rely on experimentally determined 3D structures, which are scarce and computationally expensive to obtain. This paper introduces DuaDeep-SeqAffinity, a novel sequence-only deep learning framework that predicts affinity scores solely from their amino acid sequences using a dual-stream hybrid architecture. Our approach leverages pre-trained ESM-2 protein language model embeddings, combining 1D Convolutional Neural Networks (CNNs) for local motif detection with Transformer encoders for global contextual representation. A subsequent fusion module integrates these multi-faceted features, which are then passed to a fully connected network for final score regression. Experimental results demonstrate that DuaDeep-SeqAffinity significantly outperforms individual architectural components and existing state-of-the-art (SOTA) methods. DuaDeep achieved a superior Pearson correlation of 0.688, an R^2 of 0.460, and a Root Mean Square Error (RMSE) of 0.737, surpassing single-branch variants ESM-CNN and ESM-Transformer. Notably, the model achieved an Area Under the Curve (AUC) of 0.890, outperforming sequence-only benchmarks and even surpassing structure-sequence hybrid models. These findings prove that high-fidelity sequence embeddings can capture essential binding patterns typically reserved for structural modeling. By eliminating the reliance on 3D structures, DuaDeep-SeqAffinity provides a highly scalable and efficient solution for high-throughput screening of vast sequence libraries, significantly accelerating the therapeutic discovery pipeline.
Authors: Chengyu Tian, Wenbin Pei
Abstract: Robustness in complex systems is of significant engineering and economic importance. However, conventional attack-based a posteriori robustness assessments incur prohibitive computational overhead. Recently, deep learning methods, such as Convolutional Neural Networks (CNNs) and Graph Neural Networks (GNNs), have been widely employed as surrogates for rapid robustness prediction. Nevertheless, these methods neglect the complex higher-order correlations prevalent in real-world systems, which are naturally modeled as hypergraphs. Although Hypergraph Neural Networks (HGNNs) have been widely adopted for hypergraph learning, their topological expressive power has not yet reached the theoretical upper bound. To address this limitation, inspired by Graph Isomorphism Networks, this paper proposes a hypergraph-level Hypergraph Isomorphism Network framework. Theoretically, this approach is proven to possess an expressive power strictly equivalent to the Hypergraph Weisfeiler-Lehman test and is applied to predict hypergraph robustness. Experimental results demonstrate that while maintaining superior efficiency in training and prediction, the proposed method not only outperforms existing graph-based models but also significantly surpasses conventional HGNNs in tasks that prioritize topological structure representation.
Authors: Wesley S. Leite, Rodrigo C. de Lamare, Yuriy Zakharov, Wei Liu, Martin Haardt
Abstract: In this work, we introduce a variable window size (VWS) spatial smoothing framework that enhances coarray-based direction of arrival (DOA) estimation for sparse linear arrays. By compressing the smoothing aperture, the proposed VWS Coarray MUSIC (VWS-CA-MUSIC) and VWS Coarray root-MUSIC (VWS-CA-rMUSIC) algorithms replace part of the perturbed rank-one outer products in the smoothed coarray data with unperturbed low-rank additional terms, increasing the separation between signal and noise subspaces, while preserving the signal subspace span. We also derive the bounds that guarantees identifiability, by limiting the values that can be assumed by the compression parameter. Simulations with sparse geometries reveal significant performance improvements and complexity savings relative to the fixed-window coarray MUSIC method.
Authors: Wenbin Li, Shangge Liu, Borui Kang, Yiyang Chen, KaXuan Lew, Yang Chen, Yinghuan Shi, Lei Wang, Yang Gao, Jiebo Luo
Abstract: A fundamental challenge in Continual Learning (CL) is catastrophic forgetting, where adapting to new tasks degrades the performance on previous ones. While the field has evolved with diverse methods, this rapid surge in diverse methodologies has culminated in a fragmented research landscape. The lack of a unified framework, including inconsistent implementations, conflicting dependencies, and varying evaluation protocols, makes fair comparison and reproducible research increasingly difficult. To address this challenge, we propose LibContinual, a comprehensive and reproducible library designed to serve as a foundational platform for realistic CL. Built upon a high-cohesion, low-coupling modular architecture, LibContinual integrates 19 representative algorithms across five major methodological categories, providing a standardized execution environment. Meanwhile, leveraging this unified framework, we systematically identify and investigate three implicit assumptions prevalent in mainstream evaluation: (1) offline data accessibility, (2) unregulated memory resources, and (3) intra-task semantic homogeneity. We argue that these assumptions often overestimate the real-world applicability of CL methods. Through our comprehensive analysis using strict online CL settings, a novel unified memory budget protocol, and a proposed category-randomized setting, we reveal significant performance drops in many representative CL methods when subjected to these real-world constraints. Our study underscores the necessity of resource-aware and semantically robust CL strategies, and offers LibContinual as a foundational toolkit for future research in realistic continual learning. The source code is available from \href{https://github.com/RL-VIG/LibContinual}{https://github.com/RL-VIG/LibContinual}.
URLs: https://github.com/RL-VIG/LibContinual, https://github.com/RL-VIG/LibContinual
Authors: Nagham Osman, Vittorio Lembo, Giovanni Bottegoni, Laura Toni
Abstract: Hit identification is a critical yet resource-intensive step in the drug discovery pipeline, traditionally relying on high-throughput screening of large compound libraries. Despite advancements in virtual screening, these methods remain time-consuming and costly. Recent progress in deep learning has enabled the development of generative models capable of learning complex molecular representations and generating novel compounds de novo. However, using ML to replace the entire drug-discovery pipeline is highly challenging. In this work, we rather investigate whether generative models can replace one step of the pipeline: hit-like molecule generation. To the best of our knowledge, this is the first study to explicitly frame hit-like molecule generation as a standalone task and empirically test whether generative models can directly support this stage of the drug discovery pipeline. Specifically, we investigate if such models can be trained to generate hit-like molecules, enabling direct incorporation into, or even substitution of, traditional hit identification workflows. We propose an evaluation framework tailored to this task, integrating physicochemical, structural, and bioactivity-related criteria within a multi-stage filtering pipeline that defines the hit-like chemical space. Two autoregressive and one diffusion-based generative models were benchmarked across various datasets and training settings, with outputs assessed using standard metrics and target-specific docking scores. Our results show that these models can generate valid, diverse, and biologically relevant compounds across multiple targets, with a few selected GSK-3$\beta$ hits synthesized and confirmed active in vitro. We also identify key limitations in current evaluation metrics and available training data.
Authors: Ronald Katende
Abstract: Stability analyses of modern learning systems are frequently derived under smoothness assumptions that are violated by ReLU-type nonlinearities. In this note, we isolate a minimal obstruction by showing that no uniform smoothness-based stability proxy such as gradient Lipschitzness or Hessian control can hold globally for ReLU networks, even in simple settings where training trajectories appear empirically stable. We give a concrete counterexample demonstrating the failure of classical stability bounds and identify a minimal generalized derivative condition under which stability statements can be meaningfully restored. The result clarifies why smooth approximations of ReLU can be misleading and motivates nonsmooth-aware stability frameworks.
Authors: Youran Ye, Dejin Wang, Ajinkya Bhandare
Abstract: Projected Gradient Descent (PGD) is a strong and widely used first-order adversarial attack, yet its computational cost scales poorly, as all training samples undergo identical iterative inner-loop optimization despite contributing unequally to robustness. Motivated by this inefficiency, we propose \emph{Selective Adversarial Training}, which perturbs only a subset of critical samples in each minibatch. Specifically, we introduce two principled selection criteria: (1) margin-based sampling, which prioritizes samples near the decision boundary, and (2) gradient-matching sampling, which selects samples whose gradients align with the dominant batch optimization direction. Adversarial examples are generated only for the selected subset, while the remaining samples are trained cleanly using a mixed objective. Experiments on MNIST and CIFAR-10 show that the proposed methods achieve robustness comparable to, or even exceeding, full PGD adversarial training, while reducing adversarial computation by up to $50\%$, demonstrating that informed sample selection is sufficient for scalable adversarial robustness.
Authors: Chiwun Yang
Abstract: The scaling law, a cornerstone of Large Language Model (LLM) development, predicts improvements in model performance with increasing computational resources. Yet, while empirically validated, its theoretical underpinnings remain poorly understood. This work formalizes the learning dynamics of transformer-based language models as an ordinary differential equation (ODE) system, then approximates this process to kernel behaviors. Departing from prior toy-model analyses, we rigorously analyze stochastic gradient descent (SGD) training for multi-layer transformers on sequence-to-sequence data with arbitrary data distribution, closely mirroring real-world conditions. Our analysis characterizes the convergence of generalization error to the irreducible risk as computational resources scale with data, especially during the optimization process. We establish a theoretical upper bound on excess risk characterized by a distinct phase transition. In the initial optimization phase, the excess risk decays exponentially relative to the computational cost ${\sf C}$. However, once a specific resource allocation threshold is crossed, the system enters a statistical phase, where the generalization error follows a power-law decay of $\Theta(\mathsf{C}^{-1/6})$. Beyond this unified framework, our theory derives isolated scaling laws for model size, training time, and dataset size, elucidating how each variable independently governs the upper bounds of generalization.
Authors: Shuyu Gan, Renxiang Wang, James Mooney, Dongyeop Kang
Abstract: Automating end-to-end data science pipeline with AI agents still stalls on two gaps: generating insightful, diverse visual evidence and assembling it into a coherent, professional report. We present A2P-Vis, a two-part, multi-agent pipeline that turns raw datasets into a high-quality data-visualization report. The Data Analyzer orchestrates profiling, proposes diverse visualization directions, generates and executes plotting code, filters low-quality figures with a legibility checker, and elicits candidate insights that are automatically scored for depth, correctness, specificity, depth and actionability. The Presenter then orders topics, composes chart-grounded narratives from the top-ranked insights, writes justified transitions, and revises the document for clarity and consistency, yielding a coherent, publication-ready report. Together, these agents convert raw data into curated materials (charts + vetted insights) and into a readable narrative without manual glue work. We claim that by coupling a quality-assured Analyzer with a narrative Presenter, A2P-Vis operationalizes co-analysis end-to-end, improving the real-world usefulness of automated data analysis for practitioners. For the complete dataset report, please see: https://www.visagent.org/api/output/f2a3486d-2c3b-4825-98d4-5af25a819f56.
URLs: https://www.visagent.org/api/output/f2a3486d-2c3b-4825-98d4-5af25a819f56.
Authors: Zhaozhao Ma, Shujian Yu
Abstract: Multimodal regression aims to predict a continuous target from heterogeneous input sources and typically relies on fusion strategies such as early or late fusion. However, existing methods lack principled tools to disentangle and quantify the individual contributions of each modality and their interactions, limiting the interpretability of multimodal fusion. We propose a novel multimodal regression framework grounded in Partial Information Decomposition (PID), which decomposes modality-specific representations into unique, redundant, and synergistic components. The basic PID framework is inherently underdetermined. To resolve this, we introduce inductive bias by enforcing Gaussianity in the joint distribution of latent representations and the transformed response variable (after inverse normal transformation), thereby enabling analytical computation of the PID terms. Additionally, we derive a closed-form conditional independence regularizer to promote the isolation of unique information within each modality. Experiments on six real-world datasets, including a case study on large-scale brain age prediction from multimodal neuroimaging data, demonstrate that our framework outperforms state-of-the-art methods in both predictive accuracy and interpretability, while also enabling informed modality selection for efficient inference. Implementation is available at https://github.com/zhaozhaoma/PIDReg.
Authors: Dimitrios Amaxilatis, Themistoklis Sarantakos, Nikolaos Tsironis, Souvik Sengupta, Kostas Ramantas, Jhofre Ojeda
Abstract: Smart cities are increasingly adopting data-centric architectures to enhance the efficiency, sustainability, and resilience of urban services.
Authors: Akshansh Mishra
Abstract: Accurate prediction of temperature evolution is essential for understanding thermomechanical behavior in friction stir welding. In this study, molecular dynamics simulations were performed using LAMMPS to model aluminum friction stir welding at the atomic scale, capturing material flow, plastic deformation, and heat generation during tool plunge, traverse, and retraction. Atomic positions and velocities were extracted from simulation trajectories and transformed into physics based two dimensional spatial grids. These grids represent local height variation, velocity components, velocity magnitude, and atomic density, preserving spatial correlations within the weld zone. A two-dimensional convolutional neural network was developed to predict temperature directly from the spatially resolved atomistic data. Hyperparameter optimization was carried out to determine an appropriate network configuration. The trained model demonstrates strong predictive capability, achieving a coefficient of determination R square of 0.9439, a root mean square error of 14.94 K, and a mean absolute error of 11.58 K on unseen test data. Class Activation Map analysis indicates that the model assigns higher importance to regions near the tool material interface, which are associated with intense deformation and heat generation in the molecular dynamics simulations. The results show that spatial learning from atomistic simulation data can accurately reproduce temperature trends in friction stir welding while remaining consistent with physical deformation and flow mechanisms observed at the atomic scale.
Authors: Brian Knaeble, Qinyun Lin, Erich Kummerfeld, Kenneth A. Frank
Abstract: Sensitivity analysis informs causal inference by assessing the sensitivity of conclusions to departures from assumptions. The consistency assumption states that there are no hidden versions of treatment and that the outcome arising naturally equals the outcome arising from intervention. When reasoning about the possibility of consistency violations, it can be helpful to distinguish between covariates and versions of treatment. In the context of surgery, for example, genomic variables are covariates and the skill of a particular surgeon is a version of treatment. There may be hidden versions of treatment, and this paper addresses that concern with a new kind of sensitivity analysis. Whereas many methods for sensitivity analysis are focused on confounding by unmeasured covariates, the methodology of this paper is focused on confounding by hidden versions of treatment. In this paper, new mathematical notation is introduced to support the novel method, and example applications are described.
Authors: Gyeo-Re Han, Merve Eryilmaz, Artem Goncharov, Yuzhu Li, Shun Ye, Aoi Tomoeda, Emily Ngo, Margherita Scussat, Xiao Wang, Zixiang Ji, Max Zhang, Jeffrey J. Hsu, Omai B. Garner, Dino Di Carlo, Aydogan Ozcan
Abstract: Rapid and accessible cardiac biomarker testing is essential for the timely diagnosis and risk assessment of myocardial infarction (MI) and heart failure (HF), two interrelated conditions that frequently coexist and drive recurrent hospitalizations with high mortality. However, current laboratory and point-of-care testing systems are limited by long turnaround times, narrow dynamic ranges for the tested biomarkers, and single-analyte formats that fail to capture the complexity of cardiovascular disease. Here, we present a deep learning-enhanced dual-mode multiplexed vertical flow assay (xVFA) with a portable optical reader and a neural network-based quantification pipeline. This optical sensor integrates colorimetric and chemiluminescent detection within a single paper-based cartridge to complementarily cover a large dynamic range (spanning ~6 orders of magnitude) for both low- and high-abundance biomarkers, while maintaining quantitative accuracy. Using 50 uL of serum, the optical sensor simultaneously quantifies cardiac troponin I (cTnI), creatine kinase-MB (CK-MB), and N-terminal pro-B-type natriuretic peptide (NT-proBNP) within 23 min. The xVFA achieves sub-pg/mL sensitivity for cTnI and sub-ng/mL sensitivity for CK-MB and NT-proBNP, spanning the clinically relevant ranges for these biomarkers. Neural network models trained and blindly tested on 92 patient serum samples yielded a robust quantification performance (Pearson's r > 0.96 vs. reference assays). By combining high sensitivity, multiplexing, and automation in a compact and cost-effective optical sensor format, the dual-mode xVFA enables rapid and quantitative cardiovascular diagnostics at the point of care.
Authors: Do\u{g}ukan \"Ozbayrak, Ahmed Hareedy
Abstract: In the age of data revolution, a modern storage~or transmission system typically requires different levels of protection. For example, the coding technique used to fortify data in a modern storage system when the device is fresh cannot be the same as that used when the device ages. Therefore, providing reconfigurable coding schemes and devising an effective way to perform this reconfiguration are key to extending the device lifetime. We focus on constrained coding schemes for the emerging two-dimensional magnetic recording (TDMR) technology. Recently, we have designed efficient lexicographically-ordered constrained (LOCO) coding schemes for various stages of the TDMR device lifetime, focusing on the elimination of isolation patterns, and demonstrated remarkable gains by using them. LOCO codes are naturally reconfigurable, and we exploit this feature in our work. Reconfiguration based on predetermined time stamps, which is what the industry adopts, neglects the actual device status. Instead, we propose offline and online learning methods to perform this task based on the device status. In offline learning, training data is assumed to be available throughout the time span of interest, while in online learning, we only use training data at specific time intervals to make consequential decisions. We fit the training data to polynomial equations that give the bit error rate in terms of TD density, then design an optimization problem in order to reach the optimal reconfiguration decisions to switch from a coding scheme to another. The objective is to maximize the storage capacity and/or minimize the decoding complexity. The problem reduces to a linear programming problem. We show that our solution is the global optimal based on problem characteristics, and we offer various experimental results that demonstrate the effectiveness of our approach in TDMR systems.
Authors: Christina Liu, Alan Q. Wang, Joy Hsu, Jiajun Wu, Ehsan Adeli
Abstract: Recent tool-use frameworks powered by vision-language models (VLMs) improve image understanding by grounding model predictions with specialized tools. Broadly, these frameworks leverage VLMs and a pre-specified toolbox to decompose the prediction task into multiple tool calls (often deep learning models) which are composed to make a prediction. The dominant approach to composing tools is using text, via function calls embedded in VLM-generated code or natural language. However, these methods often perform poorly on medical image understanding, where salient information is encoded as spatially-localized features that are difficult to compose or fuse via text alone. To address this, we propose a tool-use framework for medical image understanding called the Tool Bottleneck Framework (TBF), which composes VLM-selected tools using a learned Tool Bottleneck Model (TBM). For a given image and task, TBF leverages an off-the-shelf medical VLM to select tools from a toolbox that each extract clinically-relevant features. Instead of text-based composition, these tools are composed by the TBM, which computes and fuses the tool outputs using a neural network before outputting the final prediction. We propose a simple and effective strategy for TBMs to make predictions with any arbitrary VLM tool selection. Overall, our framework not only improves tool-use in medical imaging contexts, but also yields more interpretable, clinically-grounded predictors. We evaluate TBF on tasks in histopathology and dermatology and find that these advantages enable our framework to perform on par with or better than deep learning-based classifiers, VLMs, and state-of-the-art tool-use frameworks, with particular gains in data-limited regimes. Our code is available at https://github.com/christinaliu2020/tool-bottleneck-framework.
URLs: https://github.com/christinaliu2020/tool-bottleneck-framework.
Authors: Hridya Dhulipala, Xiaokai Rong, Tien N. Nguyen
Abstract: In several software development scenarios, it is desirable to detect runtime errors and exceptions in code snippets without actual execution. A typical example is to detect runtime exceptions in online code snippets before integrating them into a codebase. In this paper, we propose Cerberus, a novel predictive, execution-free coverage-guided testing framework. Cerberus uses LLMs to generate the inputs that trigger runtime errors and to perform code coverage prediction and error detection without code execution. With a two-phase feedback loop, Cerberus first aims to both increasing code coverage and detecting runtime errors, then shifts to focus only detecting runtime errors when the coverage reaches 100% or its maximum, enabling it to perform better than prompting the LLMs for both purposes. Our empirical evaluation demonstrates that Cerberus performs better than conventional and learning-based testing frameworks for (in)complete code snippets by generating high-coverage test cases more efficiently, leading to the discovery of more runtime errors.
Authors: Nairouz Mrabah, Mohamed Bouguessa, Sihem Sami
Abstract: Subspace clustering methods face inherent scalability limits due to the $O(n^3)$ cost (with $n$ denoting the number of data samples) of constructing full $n\times n$ affinities and performing spectral decomposition. While deep learning-based approaches improve feature extraction, they maintain this computational bottleneck through exhaustive pairwise similarity computations. We propose SDSNet (Scalable Deep Subspace Network), a deep subspace clustering framework that achieves $\mathcal{O}(n)$ complexity through (1) landmark-based approximation, avoiding full affinity matrices, (2) joint optimization of auto-encoder reconstruction with self-expression objectives, and (3) direct spectral clustering on factorized representations. The framework combines convolutional auto-encoders with subspace-preserving constraints. Experimental results demonstrate that SDSNet achieves comparable clustering quality to state-of-the-art methods with significantly improved computational efficiency.
Authors: Stefano M. Iacus, Haodong Qi, Marcello Carammia, Thomas Juneau
Abstract: Forecasting conflict-related fatalities remains a central challenge in political science and policy analysis due to the sparse, bursty, and highly non-stationary nature of violence data. We introduce DynAttn, an interpretable dynamic-attention forecasting framework for high-dimensional spatio-temporal count processes. DynAttn combines rolling-window estimation, shared elastic-net feature gating, a compact weight-tied self-attention encoder, and a zero-inflated negative binomial (ZINB) likelihood. This architecture produces calibrated multi-horizon forecasts of expected casualties and exceedance probabilities, while retaining transparent diagnostics through feature gates, ablation analysis, and elasticity measures. We evaluate DynAttn using global country-level and high-resolution PRIO-grid-level conflict data from the VIEWS forecasting system, benchmarking it against established statistical and machine-learning approaches, including DynENet, LSTM, Prophet, PatchTST, and the official VIEWS baseline. Across forecast horizons from one to twelve months, DynAttn consistently achieves substantially higher predictive accuracy, with particularly large gains in sparse grid-level settings where competing models often become unstable or degrade sharply. Beyond predictive performance, DynAttn enables structured interpretation of regional conflict dynamics. In our application, cross-regional analyses show that short-run conflict persistence and spatial diffusion form the core predictive backbone, while climate stress acts either as a conditional amplifier or a primary driver depending on the conflict theater.
Authors: Geoffroy Morlat, Marceau Nahon, Augustin Chartouny, Raja Chatila, Ismael T. Freire, Mehdi Khamassi
Abstract: Moral actions are judged not only by their outcomes but by the context in which they occur. We present COMETH (Contextual Organization of Moral Evaluation from Textual Human inputs), a framework that integrates a probabilistic context learner with LLM-based semantic abstraction and human moral evaluations to model how context shapes the acceptability of ambiguous actions. We curate an empirically grounded dataset of 300 scenarios across six core actions (violating Do not kill, Do not deceive, and Do not break the law) and collect ternary judgments (Blame/Neutral/Support) from N=101 participants. A preprocessing pipeline standardizes actions via an LLM filter and MiniLM embeddings with K-means, producing robust, reproducible core-action clusters. COMETH then learns action-specific moral contexts by clustering scenarios online from human judgment distributions using principled divergence criteria. To generalize and explain predictions, a Generalization module extracts concise, non-evaluative binary contextual features and learns feature weights in a transparent likelihood-based model. Empirically, COMETH roughly doubles alignment with majority human judgments relative to end-to-end LLM prompting (approx. 60% vs. approx. 30% on average), while revealing which contextual features drive its predictions. The contributions are: (i) an empirically grounded moral-context dataset, (ii) a reproducible pipeline combining human judgments with model-based context learning and LLM semantics, and (iii) an interpretable alternative to end-to-end LLMs for context-sensitive moral prediction and explanation.
Authors: Hridya Dhulipala, Xiaokai Rong, Aashish Yadavally, Tien N. Nguyen
Abstract: In mutation-based greybox fuzzing, generating high-quality input seeds for the initial corpus is essential for effective fuzzing. Rather than conducting separate phases for generating a large corpus and subsequently minimizing it, we propose FuzzWise which integrates them into one process to generate the optimal initial corpus of seeds (ICS). FuzzWise leverages a multi-agent framework based on Large Language Models (LLMs). The first LLM agent generates test cases for the target program. The second LLM agent, which functions as a predictive code coverage module, assesses whether each generated test case will enhance the overall coverage of the current corpus. The streamlined process allows each newly generated test seed to be immediately evaluated for its contribution to the overall coverage. FuzzWise employs a predictive approach using an LLM and eliminates the need for actual execution, saving computational resources and time, particularly in scenarios where the execution is not desirable or even impossible. Our empirical evaluation demonstrates that FuzzWise generates significantly fewer test cases than baseline methods. Despite the lower number of test cases, FuzzWise achieves high code coverage and triggers more runtime errors compared to the baselines. Moreover, it is more time-efficient and coverage-efficient in producing an initial corpus catching more errors.
Authors: Bing Cheng, Howell Tong
Abstract: Being infinite dimensional, non-parametric information geometry has long faced an "intractability barrier" due to the fact that the Fisher-Rao metric is now a functional incurring difficulties in defining its inverse. This paper introduces a novel framework to resolve the intractability with an Orthogonal Decomposition of the Tangent Space ($T_fM=S \oplus S^{\perp}$), where S represents an observable covariate subspace. Through the decomposition, we derive the Covariate Fisher Information Matrix (cFIM), denoted as $G_f$, which is a finite-dimensional and computable representative of information extractable from the manifold's geometry. Indeed, by proving the Trace Theorem: $H_G(f)=\text{Tr}(G_f)$, we establish a rigorous foundation for the G-entropy previously introduced by us, thereby identifying it not merely as a gradient-based regularizer, but also as a fundamental geometric invariant representing the total explainable statistical information captured by the probability distribution associated with the model. Furthermore, we establish a link between $G_f$ and the second-order derivative (i.e. the curvature) of the KL-divergence, leading to the notion of Covariate Cram\'er-Rao Lower Bound(CRLB). We demonstrate that $G_f$ is congruent to the Efficient Fisher Information Matrix, thereby providing fundamental limits of variance for semi-parametric estimators. Finally, we apply our geometric framework to the Manifold Hypothesis, lifting the latter from a heuristic assumption into a testable condition of rank-deficiency within the cFIM. By defining the Information Capture Ratio, we provide a rigorous method for estimating intrinsic dimensionality in high-dimensional data. In short, our work bridges the gap between abstract information geometry and the demand of explainable AI, by providing a tractable path for revealing the statistical coverage and the efficiency of non-parametric models.
Authors: Xiao Jin, Liang Diao, Qixin Xiao, Yifan Hu, Ziqi Zhang, Yuchen Liu, Haisong Gu
Abstract: Anomaly detection holds considerable industrial significance, especially in scenarios with limited anomalous data. Currently, reconstruction-based and unsupervised representation-based approaches are the primary focus. However, unsupervised representation-based methods struggle to extract robust features under domain shift, whereas reconstruction-based methods often suffer from low training efficiency and performance degradation due to insufficient constraints. To address these challenges, we propose a novel method named Compressed Global Feature Conditioned Anomaly Detection (CCAD). CCAD synergizes the strengths of both paradigms by adapting global features as a new modality condition for the reconstruction model. Furthermore, we design an adaptive compression mechanism to enhance both generalization and training efficiency. Extensive experiments demonstrate that CCAD consistently outperforms state-of-the-art methods in terms of AUC while achieving faster convergence. In addition, we contribute a reorganized and re-annotated version of the DAGM 2007 dataset with new annotations to further validate our method's effectiveness. The code for reproducing main results is available at https://github.com/chloeqxq/CCAD.
Authors: Brani Vidakovic
Abstract: The nondecimated or translation-invariant wavelet transform (NDWT) is a central tool in classical multiscale signal analysis, valued for its stability, redundancy, and shift invariance. This paper develops two complementary quantum formulations of the NDWT that embed these classical properties coherently into quantum computation. The first formulation is based on the epsilon-decimated interpretation of the NDWT and realizes all circularly shifted wavelet transforms simultaneously by promoting the shift index to a quantum register and applying controlled circular shifts followed by a wavelet analysis unitary. The resulting construction yields an explicit, fully unitary quantum representation of redundant wavelet coefficients and supports coherent postprocessing, including quantum shrinkage via ancilla-driven completely positive trace preserving maps. The second formulation is based on the Hadamard test and uses diagonal phase operators to probe scale-shift wavelet structure through interference, providing direct access to shift-invariant energy scalograms and multiscale spectra without explicit coefficient reconstruction. Together, these two approaches demonstrate that redundancy and translation invariance can be exploited rather than avoided in the quantum setting. Applications to denoising, feature extraction, and spectral scaling illustrate how quantum NDWTs provide a flexible and physically meaningful foundation for multiscale quantum signal processing.
Authors: Hui Guo, Qihang Zheng, Chenghai Huo, Dongliang Guo, Haoqi Yang, Yang Zhang
Abstract: The efficient deployment of large language models (LLMs) is hindered by memory architecture heterogeneity, where traditional compilers suffer from fragmented workflows and high adaptation costs. We present nncase, an open-source, end-to-end compilation framework designed to unify optimization across diverse targets. Central to nncase is an e-graph-based term rewriting engine that mitigates the phase ordering problem, enabling global exploration of computation and data movement strategies. The framework integrates three key modules: Auto Vectorize for adapting to heterogeneous computing units, Auto Distribution for searching parallel strategies with cost-aware communication optimization, and Auto Schedule for maximizing on-chip cache locality. Furthermore, a buffer-aware Codegen phase ensures efficient kernel instantiation. Evaluations show that nncase outperforms mainstream frameworks like MLC LLM and Intel IPEX on Qwen3 series models and achieves performance comparable to the hand-optimized llama.cpp on CPUs, demonstrating the viability of automated compilation for high-performance LLM deployment. The source code is available at https://github.com/kendryte/nncase.
Authors: Emmy Liu, Varun Gangal, Chelsea Zou, Xiaoqi Huang, Michael Yu, Alex Chang, Zhuofu Tao, Sachin Kumar, Steven Y. Feng
Abstract: Despite numerous attempts to solve the issue of hallucination since the inception of neural language models, it remains a problem in even frontier large language models today. Why is this the case? We walk through definitions of hallucination used in the literature from a historical perspective up to the current day, and fold them into a single definition of hallucination, wherein different prior definitions focus on different aspects of our definition. At its core, we argue that hallucination is simply inaccurate (internal) world modeling, in a form where it is observable to the user (e.g., stating a fact which contradicts a knowledge base, or producing a summary which contradicts a known source). By varying the reference world model as well as the knowledge conflict policy (e.g., knowledge base vs. in-context), we arrive at the different existing definitions of hallucination present in the literature. We argue that this unified view is useful because it forces evaluations to make clear their assumed "world" or source of truth, clarifies what should and should not be called hallucination (as opposed to planning or reward/incentive-related errors), and provides a common language to compare benchmarks and mitigation techniques. Building on this definition, we outline plans for a family of benchmarks in which hallucinations are defined as mismatches with synthetic but fully specified world models in different environments, and sketch out how these benchmarks can use such settings to stress-test and improve the world modeling components of language models.
Authors: Ze Zheng, Yuegang Li, Hang Xu, Jingzheng Huang, Tailong Xiao, Guihua Zeng
Abstract: Ising machines have emerged as effective solvers for combinatorial optimization problems, such as NP-hard problems, machine learning, and financial modeling. Recent spatial photonic Ising machines (SPIMs) excel in multi-node optimization and spin glass simulations, leveraging their large-scale and fully connected characteristics. However, existing laser diffraction-based SPIMs usually sacrifice time efficiency or spin count to encode high-rank spin-spin coupling and external fields, limiting their scalability for real-world applications. Here, we demonstrate an amplitude-only modulated rank-free spatial photonic Ising machine (AR-SPIM) with 200 iterations per second. By re-formulating an arbitrary Ising Hamiltonian as the sum of Hadamard products, followed by loading the corresponding matrices/vectors onto an aligned amplitude spatial light modulator and digital micro-mirrors device, we directly map a 797-spin Ising model with external fields (nearly 9-bit precision, -255 to 255) into an incoherent light field, eliminating the need for repeated and auxiliary operations. Serving as encoding accuracy metrics, the linear coefficient of determination and Pearson correlation coefficient between measured light intensities and Ising Hamiltonians exceed 0.9800, with values exceed 0.9997 globally. The AR-SPIM achieves less than 0.3% error rate for ground-state search of biased Max-cut problems with arbitrary ranks and weights, enables complex phase transition observations, and facilitates scalable spin counts for sparse Ising problems via removing zero-valued Hadamard product terms. This reconfigurable AR-SPIM can be further developed to support large-scale machine-learning training and deployed for practical applications in discrete optimization and quantum many-body simulations.
Authors: Takuro Kutsuna
Abstract: Diffusion models have become a central tool in deep generative modeling, but standard formulations rely on a single network and a single diffusion schedule to transform a simple prior, typically a standard normal distribution, into the target data distribution. As a result, the model must simultaneously represent the global structure of the distribution and its fine-scale local variations, which becomes difficult when these scales are strongly mismatched. This issue arises both in natural images, where coarse manifold-level structure and fine textures coexist, and in low-dimensional distributions with highly concentrated local structure. To address this issue, we propose Residual Prior Diffusion (RPD), a two-stage framework in which a coarse prior model first captures the large-scale structure of the data distribution, and a diffusion model is then trained to represent the residual between the prior and the target data distribution. We formulate RPD as an explicit probabilistic model with a tractable evidence lower bound, whose optimization reduces to the familiar objectives of noise prediction or velocity prediction. We further introduce auxiliary variables that leverage information from the prior model and theoretically analyze how they reduce the difficulty of the prediction problem in RPD. Experiments on synthetic datasets with fine-grained local structure show that standard diffusion models fail to capture local details, whereas RPD accurately captures fine-scale detail while preserving the large-scale structure of the distribution. On natural image generation tasks, RPD achieved generation quality that matched or exceeded that of representative diffusion-based baselines and it maintained strong performance even with a small number of inference steps.
Authors: Peixin Wang, Jianhao Bai, Min Zhang, C. -H. Luke Ong
Abstract: Probabilistic programming provides a high-level framework for specifying statistical models as executable programs with built-in randomness and conditioning. Existing inference techniques, however, typically compute posterior distributions over program states at fixed time points, most often at termination, thereby failing to capture the temporal evolution of probabilistic behaviors. We introduce temporal posterior inference (TPI), a new framework that unifies probabilistic programming with temporal logic by computing posterior distributions over execution traces that satisfy omega-regular specifications, conditioned on possibly temporal observations. To obtain rigorous quantitative guarantees, we develop a new method for computing upper and lower bounds on the satisfaction probabilities of omega-regular properties. Our approach decomposes Rabin acceptance conditions into persistence and recurrence components and constructs stochastic barrier certificates that soundly bound each component. We implement our approach in a prototype tool, TPInfer, and evaluate it on a suite of benchmarks, demonstrating effective and efficient inference over rich temporal properties in probabilistic models.
Authors: Liuyang Bai, Weiyi Lu, Li Guo
Abstract: Speech codecs are traditionally optimized for waveform fidelity, allocating bits to preserve acoustic detail even when much of it can be inferred from linguistic structure. This leads to inefficient compression and suboptimal performance on downstream recognition tasks. We propose SemDAC, a semantic-aware neural audio codec that leverages semantic codebooks as effective priors for speech compression. In SemDAC, the first quantizer in a residual vector quantization (RVQ) stack is distilled from HuBERT features to produce semantic tokens that capture phonetic content, while subsequent quantizers model residual acoustics. A FiLM-conditioned decoder reconstructs audio conditioned on the semantic tokens, improving efficiency in the use of acoustic codebooks. Despite its simplicity, this design proves highly effective: SemDAC outperforms DAC across perceptual metrics and achieves lower WER when running Whisper on reconstructed speech, all while operating at substantially lower bitrates (e.g., 0.95 kbps vs. 2.5 kbps for DAC). These results demonstrate that semantic codebooks provide an effective inductive bias for neural speech compression, producing compact yet recognition-friendly representations.
Authors: Subramanyam Sahoo, Jared Junkin
Abstract: Deepfake detection models have achieved high accuracy in identifying synthetic media, but their decision processes remain largely opaque. In this paper we present a mechanistic interpretability framework for deepfake detection applied to a vision-language model. Our approach combines a sparse autoencoder (SAE) analysis of internal network representations with a novel forensic manifold analysis that probes how the model's features respond to controlled forensic artifact manipulations. We demonstrate that only a small fraction of latent features are actively used in each layer, and that the geometric properties of the model's feature manifold, including intrinsic dimensionality, curvature, and feature selectivity, vary systematically with different types of deepfake artifacts. These insights provide a first step toward opening the "black box" of deepfake detectors, allowing us to identify which learned features correspond to specific forensic artifacts and to guide the development of more interpretable and robust models.
Authors: Jalal Khan
Abstract: Recently, a plethora of machine learning (ML) and deep learning (DL) algorithms have been proposed to achieve the efficiency, safety, and reliability of autonomous vehicles (AVs). The AVs use a perception system to detect, localize, and identify other vehicles, pedestrians, and road signs to perform safe navigation and decision-making. In this paper, we compare the performance of DL models, including YOLO-NAS and YOLOv8, for a detection-based perception task. We capture a custom dataset and experiment with both DL models using our custom dataset. Our analysis reveals that the YOLOv8s model saves 75% of training time compared to the YOLO-NAS model. In addition, the YOLOv8s model (83%) outperforms the YOLO-NAS model (81%) when the target is to achieve the highest object detection accuracy. These comparative analyses of these new emerging DL models will allow the relevant research community to understand the models' performance under real-world use case scenarios.
Authors: Abd Ullah Khan, Adnan Shahid, Haejoon Jung, Hyundong Shin
Abstract: Space-air-ground-integrated network (SAGIN)-enabled multiconnectivity (MC) is emerging as a key enabler for next-generation networks, enabling users to simultaneously utilize multiple links across multi-layer non-terrestrial networks (NTN) and multi-radio access technology (multi-RAT) terrestrial networks (TN). However, the heterogeneity of TN and NTN introduces complex architectural challenges that complicate MC implementation. Specifically, the diversity of link types, spanning air-to-air, air-to-space, space-to-space, space-to-ground, and ground-to-ground communications, renders optimal resource allocation highly complex. Recent advancements in reinforcement learning (RL) and agentic artificial intelligence (AI) have shown remarkable effectiveness in optimal decision-making in complex and dynamic environments. In this paper, we review the current developments in SAGIN-enabled MC and outline the key challenges associated with its implementation. We further highlight the transformative potential of AI-driven approaches for resource optimization in a heterogeneous SAGIN environment. To this end, we present a case study on resource allocation optimization enabled by agentic RL for SAGIN-enabled MC involving diverse radio access technologies (RATs). Results show that learning-based methods can effectively handle complex scenarios and substantially enhance network performance in terms of latency and capacity while incurring a moderate increase in power consumption as an acceptable tradeoff. Finally, open research problems and future directions are presented to realize efficient SAGIN-enabled MC.
Authors: Alexandr V. Korchemnyi, Anatoly O. Onishchenko, Eva A. Bakaeva, Alexey K. Kovalev, Aleksandr I. Panov
Abstract: Embodied agents tasked with complex scenarios, whether in real or simulated environments, rely heavily on robust planning capabilities. When instructions are formulated in natural language, large language models (LLMs) equipped with extensive linguistic knowledge can play this role. However, to effectively exploit the ability of such models to handle linguistic ambiguity, to retrieve information from the environment, and to be based on the available skills of an agent, an appropriate architecture must be designed. We propose a Hierarchical Embodied Language Planner, called HELP, consisting of a set of LLM-based agents, each dedicated to solving a different subtask. We evaluate the proposed approach on a household task and perform real-world experiments with an embodied agent. We also focus on the use of open source LLMs with a relatively small number of parameters, to enable autonomous deployment.
Authors: Kurtis Chow, Omar Samiullah, Vinesh Sridhar, Hewen Zhang
Abstract: Generative AI systems are quickly improving, now able to produce believable output in several modalities including images, text, and audio. However, this fast development has prompted increased scrutiny concerning user privacy and the use of copyrighted works in training. A recent attack on machine-learning models called membership inference lies at the crossroads of these two concerns. The attack is given as input a set of records and a trained model and seeks to identify which of those records may have been used to train the model. On one hand, this attack can be used to identify user data used to train a model, which may violate their privacy especially in sensitive applications such as models trained on medical data. On the other hand, this attack can be used by rights-holders as evidence that a company used their works without permission to train a model. Remarkably, it appears that no work has studied the effect of membership inference attacks (MIA) on generative music. Given that the music industry is worth billions of dollars and artists would stand to gain from being able to determine if their works were being used without permission, we believe this is a pressing issue to study. As such, in this work we begin a preliminary study into whether MIAs are effective on generative music. We study the effect of several existing attacks on MuseGAN, a popular and influential generative music model. Similar to prior work on generative audio MIAs, our findings suggest that music data is fairly resilient to known membership inference techniques.
Authors: Evgeny Alves Limarenko, Anastasiia Studenikina
Abstract: The application of self-supervised learning (SSL) and Vision Transformers (ViTs) approaches demonstrates promising results in the field of 2D medical imaging, but the use of these methods on 3D volumetric images is fraught with difficulties. Standard Masked Autoencoders (MAE), which are state-of-the-art solution for 2D, have a hard time capturing three-dimensional spatial relationships, especially when 75% of tokens are discarded during pre-training. We propose BertsWin, a hybrid architecture combining full BERT-style token masking using Swin Transformer windows, to enhance spatial context learning in 3D during SSL pre-training. Unlike the classic MAE, which processes only visible areas, BertsWin introduces a complete 3D grid of tokens (masked and visible), preserving the spatial topology. And to smooth out the quadratic complexity of ViT, single-level local Swin windows are used. We introduce a structural priority loss function and evaluate the results of cone beam computed tomography of the temporomandibular joints. The subsequent assessment includes TMJ segmentation on 3D CT scans. We demonstrate that the BertsWin architecture, by maintaining a complete three-dimensional spatial topology, inherently accelerates semantic convergence by a factor of 5.8x compared to standard ViT-MAE baselines. Furthermore, when coupled with our proposed GradientConductor optimizer, the full BertsWin framework achieves a 15-fold reduction in training epochs (44 vs 660) required to reach state-of-the-art reconstruction fidelity. Analysis reveals that BertsWin achieves this acceleration without the computational penalty typically associated with dense volumetric processing. At canonical input resolutions, the architecture maintains theoretical FLOP parity with sparse ViT baselines, resulting in a significant net reduction in total computational resources due to faster convergence.
Authors: Yuanqi Du, Botao Yu, Tianyu Liu, Tony Shen, Junwu Chen, Jan G. Rittig, Kunyang Sun, Yikun Zhang, Zhangde Song, Bo Zhou, Cassandra Masschelein, Yingze Wang, Haorui Wang, Haojun Jia, Chao Zhang, Hongyu Zhao, Martin Ester, Teresa Head-Gordon, Carla P. Gomes, Huan Sun, Chenru Duan, Philippe Schwaller, Wengong Jin
Abstract: There has been unprecedented interest in developing agents that expand the boundary of scientific discovery, primarily by optimizing quantitative objective functions specified by scientists. However, for grand challenges in science , these objectives are only imperfect proxies. We argue that automating objective function design is a central, yet unmet requirement for scientific discovery agents. In this work, we introduce the Scientific Autonomous Goal-evolving Agent (SAGA) to amend this challenge. SAGA employs a bi-level architecture in which an outer loop of LLM agents analyzes optimization outcomes, proposes new objectives, and converts them into computable scoring functions, while an inner loop performs solution optimization under the current objectives. This bi-level design enables systematic exploration of the space of objectives and their trade-offs, rather than treating them as fixed inputs. We demonstrate the framework through a broad spectrum of applications, including antibiotic design, inorganic materials design, functional DNA sequence design, and chemical process design, showing that automating objective formulation can substantially improve the effectiveness of scientific discovery agents.
Authors: Qiushi Han, David Simchi-Levi, Renfei Tan, Zishuo Zhao
Abstract: We study a sequential mechanism design problem in which a principal seeks to elicit truthful reports from multiple rational agents while starting with no prior knowledge of agents' beliefs. We introduce Distributionally Robust Adaptive Mechanism (DRAM), a general framework combining insights from both mechanism design and online learning to jointly address truthfulness and cost-optimality. Throughout the sequential game, the mechanism estimates agents' beliefs and iteratively updates a distributionally robust linear program with shrinking ambiguity sets to reduce payments while preserving truthfulness. Our mechanism guarantees truthful reporting with high probability while achieving $\tilde{O}(\sqrt{T})$ cumulative regret, and we establish a matching lower bound showing that no truthful adaptive mechanism can asymptotically do better. The framework generalizes to plug-in estimators, supporting structured priors and delayed feedback. To our knowledge, this is the first adaptive mechanism under general settings that maintains truthfulness and achieves optimal regret when incentive constraints are unknown and must be learned.
Authors: Mengqi He, Xinyu Tian, Xin Shen, Jinhong Ni, Shu Zou, Zhaoyuan Yang, Jing Zhang
Abstract: Vision-language models (VLMs) achieve remarkable performance but remain vulnerable to adversarial attacks. Entropy, a measure of model uncertainty, is strongly correlated with the reliability of VLM. Prior entropy-based attacks maximize uncertainty at all decoding steps, implicitly assuming that every token contributes equally to generation instability. We show instead that a small fraction (about 20%) of high-entropy tokens, i.e., critical decision points in autoregressive generation, disproportionately governs output trajectories. By concentrating adversarial perturbations on these positions, we achieve semantic degradation comparable to global methods while using substantially smaller budgets. More importantly, across multiple representative VLMs, such selective attacks convert 35-49% of benign outputs into harmful ones, exposing a more critical safety risk. Remarkably, these vulnerable high-entropy forks recur across architecturally diverse VLMs, enabling feasible transferability (17-26% harmful rates on unseen targets). Motivated by these findings, we propose Entropy-bank Guided Adversarial attacks (EGA), which achieves competitive attack success rates (93-95%) alongside high harmful conversion, thereby revealing new weaknesses in current VLM safety mechanisms.
Authors: Peter Potaptchik, Cheuk-Kit Lee, Michael S. Albergo
Abstract: We propose a simple, scalable algorithm for using stochastic interpolants to sample from unnormalized densities and for fine-tuning generative models. The approach, Tilt Matching, arises from a dynamical equation relating the flow matching velocity to one targeting the same distribution tilted by a reward, implicitly solving a stochastic optimal control problem. The new velocity inherits the regularity of stochastic interpolant transports while also being the minimizer of an objective with strictly lower variance than flow matching itself. The update to the velocity field can be interpreted as the sum of all joint cumulants of the stochastic interpolant and copies of the reward, and to first order is their covariance. The algorithms do not require any access to gradients of the reward or backpropagating through trajectories of the flow or diffusion. We empirically verify that the approach is efficient and highly scalable, providing state-of-the-art results on sampling under Lennard-Jones potentials and is competitive on fine-tuning Stable Diffusion, without requiring reward multipliers. It can also be straightforwardly applied to tilting few-step flow map models.
Authors: Chuangxin Zhang, Guangfeng Lin, Enhui Zhao, Kaiyang Liao, Yajun Chen
Abstract: Incremental learning often encounter challenges such as overfitting to new data and catastrophic forgetting of old data. Existing methods can effectively extend the model for new tasks while freezing the parameters of the old model, but ignore the necessity of structural efficiency to lead to the feature difference between modules and the class misalignment due to evolving class distributions. To address these issues, we propose scalable class-incremental learning based on parametric neural collapse (SCL-PNC) that enables demand-driven, minimal-cost backbone expansion by adapt-layer and refines the static into a dynamic parametric Equiangular Tight Frame (ETF) framework according to incremental class. This method can efficiently handle the model expansion question with the increasing number of categories in real-world scenarios. Additionally, to counteract feature drift in serial expansion models, the parallel expansion framework is presented with a knowledge distillation algorithm to align features across expansion modules. Therefore, SCL-PNC can not only design a dynamic and extensible ETF classifier to address class misalignment due to evolving class distributions, but also ensure feature consistency by an adapt-layer with knowledge distillation between extended modules. By leveraging neural collapse, SCL-PNC induces the convergence of the incremental expansion model through a structured combination of the expandable backbone, adapt-layer, and the parametric ETF classifier. Experiments on standard benchmarks demonstrate the effectiveness and efficiency of our proposed method. Our code is available at https://github.com/zhangchuangxin71-cyber/dynamic_ ETF2. Keywords: Class incremental learning; Catastrophic forgetting; Neural collapse;Knowledge distillation; Expanded model.
Authors: Md Rafid Islam, Rafsan Jany, Akib Ahmed, Mohammad Ashrafuzzaman Khan
Abstract: Diabetic retinopathy (DR) remains a leading cause of preventable blindness, yet large-scale screening is constrained by limited specialist availability and variable image quality across devices and populations. This work investigates whether feature-level fusion of complementary convolutional neural network (CNN) backbones can deliver accurate and efficient binary DR screening on globally sourced fundus images. Using 11,156 images pooled from five public datasets (APTOS, EyePACS, IDRiD, Messidor, and ODIR), we frame DR detection as a binary classification task and compare three pretrained models (ResNet50, EfficientNet-B0, and DenseNet121) against pairwise and tri-fusion variants. Across five independent runs, fusion consistently outperforms single backbones. The EfficientNet-B0 + DenseNet121 (Eff+Den) fusion model achieves the best overall mean performance (accuracy: 82.89\%) with balanced class-wise F1-scores for normal (83.60\%) and diabetic (82.60\%) cases. While the tri-fusion is competitive, it incurs a substantially higher computational cost. Inference profiling highlights a practical trade-off: EfficientNet-B0 is the fastest (approximately 1.16 ms/image at batch size 1000), whereas the Eff+Den fusion offers a favorable accuracy--latency balance. These findings indicate that lightweight feature fusion can enhance generalization across heterogeneous datasets, supporting scalable binary DR screening workflows where both accuracy and throughput are critical.
Authors: Jiahao Fan, Yuxin Qin, Wei Feng, Yanyin Chen, Yaoyu Li, Ao Ma, Yixiu Li, Li Zhuang, Haoyi Bian, Zheng Zhang, Jingjing Lv, Junjie Shen, Ching Law
Abstract: Product posters blend striking visuals with informative text to highlight the product and capture customer attention. However, crafting appealing posters and manually optimizing them based on online performance is laborious and resource-consuming. To address this, we introduce AutoPP, an automated pipeline for product poster generation and optimization that eliminates the need for human intervention. Specifically, the generator, relying solely on basic product information, first uses a unified design module to integrate the three key elements of a poster (background, text, and layout) into a cohesive output. Then, an element rendering module encodes these elements into condition tokens, efficiently and controllably generating the product poster. Based on the generated poster, the optimizer enhances its Click-Through Rate (CTR) by leveraging online feedback. It systematically replaces elements to gather fine-grained CTR comparisons and utilizes Isolated Direct Preference Optimization (IDPO) to attribute CTR gains to isolated elements. Our work is supported by AutoPP1M, the largest dataset specifically designed for product poster generation and optimization, which contains one million high-quality posters and feedback collected from over one million users. Experiments demonstrate that AutoPP achieves state-of-the-art results in both offline and online settings. Our code and dataset are publicly available at: https://github.com/JD-GenX/AutoPP
Authors: Yiquan Gao, John See
Abstract: By contrast with the prevailing works of low-light enhancement in natural images and videos, this study copes with the low-illumination quality degradation in anime scenery images to bridge the domain gap. For such an underexplored enhancement task, we first curate images from various sources and construct an unpaired anime scenery dataset with diverse environments and illumination conditions to address the data scarcity. To exploit the power of uncertainty information inherent with the diverse illumination conditions, we propose a Data Relativistic Uncertainty (DRU) framework, motivated by the idea from Relativistic GAN. By analogy with the wave-particle duality of light, our framework interpretably defines and quantifies the illumination uncertainty of dark/bright samples, which is leveraged to dynamically adjust the objective functions to recalibrate the model learning under data uncertainty. Extensive experiments demonstrate the effectiveness of DRU framework by training several versions of EnlightenGANs, yielding superior perceptual and aesthetic qualities beyond the state-of-the-art methods that are incapable of learning from data uncertainty perspective. We hope our framework can expose a novel paradigm of data-centric learning for potential visual and language domains. Code is available.
Authors: Fr\'ed\'eric Cazals, Antoine Commaret, Louis Goldenberg
Abstract: A parametric cluster model is a statistical model providing geometric insights onto the points defining a cluster. The {\em spherical cluster model} (SC) approximates a finite point set $P\subset \mathbb{R}^d$ by a sphere $S(c,r)$ as follows. Taking $r$ as a fraction $\eta\in(0,1)$ (hyper-parameter) of the std deviation of distances between the center $c$ and the data points, the cost of the SC model is the sum over all data points lying outside the sphere $S$ of their power distance with respect to $S$. The center $c$ of the SC model is the point minimizing this cost. Note that $\eta=0$ yields the celebrated center of mass used in KMeans clustering. We make three contributions. First, we show fitting a spherical cluster yields a strictly convex but not smooth combinatorial optimization problem. Second, we present an exact solver using the Clarke gradient on a suitable stratified cell complex defined from an arrangement of hyper-spheres. Finally, we present experiments on a variety of datasets ranging in dimension from $d=9$ to $d=10,000$, with two main observations. First, the exact algorithm is orders of magnitude faster than BFGS based heuristics for datasets of small/intermediate dimension and small values of $\eta$, and for high dimensional datasets (say $d>100$) whatever the value of $\eta$. Second, the center of the SC model behave as a parameterized high-dimensional median. The SC model is of direct interest for high dimensional multivariate data analysis, and the application to the design of mixtures of SC will be reported in a companion paper.
Authors: Jiayu Hu, Beibei Li, Jiangwei Xia, Yanjun Qin, Bing Ji, Zhongshi He
Abstract: While Vision-Language Models (VLMs) have garnered increasing attention in the AI community due to their promising practical applications, they exhibit persistent hallucination issues, generating outputs misaligned with visual inputs. Recent studies attribute these hallucinations to VLMs' over-reliance on linguistic priors and insufficient visual feature integration, proposing heuristic decoding calibration strategies to mitigate them. However, the non-trainable nature of these strategies inherently limits their optimization potential. To this end, we propose an adversarial parametric editing framework for Hallucination mitigation in VLMs, which follows an \textbf{A}ctivate-\textbf{L}ocate-\textbf{E}dit \textbf{A}dversarially paradigm. Specifically, we first construct an activation dataset that comprises grounded responses (positive samples attentively anchored in visual features) and hallucinatory responses (negative samples reflecting LLM prior bias and internal knowledge artifacts). Next, we identify critical hallucination-prone parameter clusters by analyzing differential hidden states of response pairs. Then, these clusters are fine-tuned using prompts injected with adversarial tuned prefixes that are optimized to maximize visual neglect, thereby forcing the model to prioritize visual evidence over inherent parametric biases. Evaluations on both generative and discriminative VLM tasks demonstrate the significant effectiveness of ALEAHallu in alleviating hallucinations. Our code is available at https://github.com/hujiayu1223/ALEAHallu.
Authors: Hannah Atmer, Yuan Yao, Thiemo Voigt, Stefanos Kaxiras
Abstract: Energy consumption dictates the cost and environmental impact of deploying Large Language Models. This paper investigates the impact of on-chip SRAM size and operating frequency on the energy efficiency and performance of LLM inference, focusing on the distinct behaviors of the compute-bound prefill and memory-bound decode phases. Our simulation methodology combines OpenRAM for energy modeling, LLMCompass for latency simulation, and ScaleSIM for systolic array operational intensity. Our findings show that total energy use is predominantly determined by SRAM size in both phases, with larger buffers significantly increasing static energy due to leakage, which is not offset by corresponding latency benefits. We quantitatively explore the memory-bandwidth bottleneck, demonstrating that while high operating frequencies reduce prefill latency, their positive impact on memory-bound decode latency is capped by the external memory bandwidth. Counter-intuitively, high compute frequency can reduce total energy by reducing execution time and consequently decreasing static energy consumption more than the resulting dynamic power increase. We identify an optimal hardware configuration for the simulated workload: high operating frequencies (1200MHz-1400MHz) and a small local buffer size of 32KB to 64KB. This combination achieves the best energy-delay product, balancing low latency with high energy efficiency. Furthermore, we demonstrate how memory bandwidth acts as a performance ceiling, and that increasing compute frequency only yields performance gains up to the point where the workload becomes memory-bound. This analysis provides concrete architectural insights for designing energy-efficient LLM accelerators, especially for datacenters aiming to minimize their energy overhead.
Authors: John M. Mango, Ronald Katende
Abstract: We consider the problem of restoring linear conservation laws in data-driven linear dynamical models. Given a learned operator $\widehat{A}$ and a full-rank constraint matrix $C$ encoding one or more invariants, we show that the matrix closest to $\widehat{A}$ in the Frobenius norm and satisfying $C^\top A = 0$ is the orthogonal projection $A^\star = \widehat{A} - C(C^\top C)^{-1}C^\top \widehat{A}$. This correction is uniquely defined, low rank and fully determined by the violation $C^\top \widehat{A}$. In the single-invariant case it reduces to a rank-one update. We prove that $A^\star$ enforces exact conservation while minimally perturbing the dynamics, and we verify these properties numerically on a Markov-type example. The projection provides an elementary and general mechanism for embedding exact invariants into any learned linear model.
Authors: Jiarong Yang, Yuan Liu
Abstract: Split Federated Learning (SFL) is a distributed machine learning framework which strategically divides the learning process between a server and clients and collaboratively trains a shared model by aggregating local models updated based on data from distributed clients. However, data heterogeneity and partial client participation result in label distribution skew, which severely degrades the learning performance. To address this issue, we propose SFL with Concatenated Activations and Logit Adjustments (SCALA). Specifically, the activations from the client-side models are concatenated as the input of the server-side model so as to centrally adjust label distribution across different clients, and logit adjustments of loss functions on both server-side and client-side models are performed to deal with the label distribution variation across different subsets of participating clients. Theoretical analysis and experimental results verify the superiority of the proposed SCALA on public datasets.
Authors: Joshua Shay Kricheli, Khoa Vo, Aniruddha Datta, Spencer Ozgur, Paulo Shakarian
Abstract: Recent advances in Hierarchical Multi-label Classification (HMC), particularly neurosymbolic-based approaches, have demonstrated improved consistency and accuracy by enforcing constraints on a neural model during training. However, such work assumes the existence of such constraints a-priori. In this paper, we relax this strong assumption and present an approach based on Error Detection Rules (EDR) that allow for learning explainable rules about the failure modes of machine learning models. We show that these rules are not only effective in detecting when a machine learning classifier has made an error but also can be leveraged as constraints for HMC, thereby allowing the recovery of explainable constraints even if they are not provided. We show that our approach is effective in detecting machine learning errors and recovering constraints, is noise tolerant, and can function as a source of knowledge for neurosymbolic models on multiple datasets, including a newly introduced military vehicle recognition dataset.
Authors: Hung-Nghiep Tran, Akiko Aizawa, Atsuhiro Takasu
Abstract: This paper reviews, analyzes, and proposes a new perspective on the bi-encoder architecture for neural search. While the bi-encoder architecture is widely used due to its simplicity and scalability at test time, it has some notable issues such as low performance on seen datasets and weak zero-shot performance on new datasets. In this paper, we analyze these issues and summarize two main critiques: the encoding information bottleneck problem and limitations of the basic assumption of embedding search. We then construct a thought experiment to logically analyze the encoding and searching operations and challenge the basic assumptions of embedding search. Building on these observations, we propose a new perspective on the bi-encoder architecture called the \textit{encoding--searching separation} perspective, which conceptually and practically separates the encoding and searching operations. This framework is applied to explain the root cause of existing issues and suggest mitigation strategies, potentially lowering training costs and improving retrieval performance. Finally, we discuss the broader implications of the ideas underlying this perspective, the new design surface it exposes, and potential research directions arising from it.
Authors: Saad Masrur (Thomas), Jung-Fu (Thomas), Cheng, Atieh R. Khamesi, Ismail Guvenc
Abstract: Indoor localization in challenging non-line-of-sight (NLOS) environments often leads to poor accuracy with traditional approaches. Deep learning (DL) has been applied to tackle these challenges; however, many DL approaches overlook computational complexity, especially for floating-point operations (FLOPs), making them unsuitable for resource-limited devices. Transformer-based models have achieved remarkable success in natural language processing (NLP) and computer vision (CV) tasks, motivating their use in wireless applications. However, their use in indoor localization remains nascent, and directly applying Transformers for indoor localization can be both computationally intensive and exhibit limitations in accuracy. To address these challenges, in this work, we introduce a novel tokenization approach, referred to as Sensor Snapshot Tokenization (SST), which preserves variable-specific representations of power delay profile (PDP) and enhances attention mechanisms by effectively capturing multi-variate correlation. Complementing this, we propose a lightweight Swish-Gated Linear Unit-based Transformer (L-SwiGLU-T) model, designed to reduce computational complexity without compromising localization accuracy. Together, these contributions mitigate the computational burden and dependency on large datasets, making Transformer models more efficient and suitable for resource-constrained scenarios. Experimental results on simulated and real-world datasets demonstrate that SST and L-SwiGLU-T achieve substantial accuracy and efficiency gains, outperforming larger Transformer and CNN baselines by over 40% while using significantly fewer FLOPs and training samples.
Authors: Hanwen Zhang, Ruichen Zhang, Wei Zhang, Dusit Niyato, Yonggang Wen, Chunyan Miao
Abstract: The energy optimization and demand side management (DSM) of Internet of Things (IoT)-enabled microgrids are being transformed by generative artificial intelligence, such as large language models (LLMs). This paper explores the integration of LLMs into energy management, and emphasizes their roles in automating the optimization of DSM strategies with Internet of Electric Vehicles (IoEV) as a representative example of the Internet of Vehicles (IoV). We investigate challenges and solutions associated with DSM and explore the new opportunities presented by leveraging LLMs. Then, we propose an innovative solution that enhances LLMs with retrieval-augmented generation for automatic problem formulation, code generation, and customizing optimization. The results demonstrate the effectiveness of our proposed solution in charging scheduling and optimization for electric vehicles, and highlight our solution's significant advancements in energy efficiency and user adaptability. This work shows LLMs' potential in energy optimization of the IoT-enabled microgrids and promotes intelligent DSM solutions.
Authors: Muhammad Bilal Shahid, Cody Fleming
Abstract: Deep learning models are often trained to approximate dynamical systems that can be modeled using differential equations. Many of these models are optimized to predict one step ahead; such approaches produce calibrated one-step predictions if the predictive model can quantify uncertainty, such as Deep Ensembles. At inference time, multi-step predictions are generated via autoregression, which needs a sound uncertainty propagation method to produce calibrated multi-step predictions. This work introduces an alternative Predictor-Corrector approach named \hop{} that uses Modern Hopfield Networks (MHN) to learn the errors of a deterministic Predictor that approximates the dynamical system. The Corrector predicts a set of errors for the Predictor's output based on a context state at any timestep during autoregression. The set of errors creates sharper and well-calibrated prediction intervals with higher predictive accuracy compared to baselines without uncertainty propagation. The calibration and prediction performances are evaluated across a set of dynamical systems. This work is also the first to benchmark existing uncertainty propagation methods based on calibration errors.
Authors: Tom Heskes
Abstract: Bias-variance decompositions are widely used to understand the generalization performance of machine learning models. While the squared error loss permits a straightforward decomposition, other loss functions - such as zero-one loss or $L_1$ loss - either fail to sum bias and variance to the expected loss or rely on definitions that lack the essential properties of meaningful bias and variance. Recent research has shown that clean decompositions can be achieved for the broader class of Bregman divergences, with the cross-entropy loss as a special case. However, the necessary and sufficient conditions for these decompositions remain an open question. In this paper, we address this question by studying continuous, nonnegative loss functions that satisfy the identity of indiscernibles (zero loss if and only if the two arguments are identical), under mild regularity conditions. We prove that so-called $g$-Bregman or rho-tau divergences are the only such loss functions that have a clean bias-variance decomposition. A $g$-Bregman divergence can be transformed into a standard Bregman divergence through an invertible change of variables. This makes the squared Mahalanobis distance, up to such a variable transformation, the only symmetric loss function with a clean bias-variance decomposition. Consequently, common metrics such as $0$-$1$ and $L_1$ losses cannot admit a clean bias-variance decomposition, explaining why previous attempts have failed. We also examine the impact of relaxing the restrictions on the loss functions and how this affects our results.
Authors: Jianshu Zhang, Xiaofu Wu, Junquan Hu
Abstract: This paper investigates the anti-jamming channel access problem in complex and unknown jamming environments, where the jammer could dynamically adjust its strategies to target different channels. Traditional channel hopping anti-jamming approaches using fixed patterns are ineffective against such dynamic jamming attacks. Although the emerging deep reinforcement learning (DRL) based dynamic channel access approach could achieve the Nash equilibrium (NE) under fast-changing jamming attacks, it requires extensive training episodes. To address this issue, we propose a fast adaptive anti-jamming channel access approach guided by the intuition of ``learning faster than the jammer", where a synchronously updated coarse-grained spectrum prediction serves as an auxiliary task for the deep Q network (DQN) based anti-jamming model. This helps the model identify a superior Q-function compared to standard DRL while significantly reducing the number of training episodes. Numerical results indicate that the proposed approach significantly accelerates the rate of convergence in model training, reducing the required training episodes by up to 70\% compared to standard DRL. Additionally, it also achieves a 10\% improvement in throughput over NE strategies, owing to the effective use of coarse-grained spectrum prediction.
Authors: Laura Selicato, Flavia Esposito, Andersen Ang, Nicoletta Del Buono, Rafal Zdunek
Abstract: The selection of penalty hyperparameters is a critical aspect in Nonnegative Matrix Factorization (NMF), since these values control the trade-off between reconstruction accuracy and adherence to desired constraints. In this work, we focus on an NMF problem involving the Itakura-Saito (IS) divergence, which is particularly effective for extracting low spectral density components from spectrograms of mixed signals, and benefits from the introduction of sparsity constraints. We propose a new algorithm called SHINBO, which introduces a bi-level optimization framework to automatically and adaptively tune the row-dependent penalty hyperparameters, enhancing the ability of IS-NMF to isolate sparse, periodic signals in noisy environments. Experimental results demonstrate that SHINBO achieves accurate spectral decompositions and demonstrates superior performance in both synthetic and real-world applications. In the latter case, SHINBO is particularly useful for noninvasive vibration-based fault detection in rolling bearings, where the desired signal components often reside in high-frequency subbands but are obscured by stronger, spectrally broader noise. By addressing the critical issue of hyperparameter selection, SHINBO improves the state-of-the-art in signal recovery for complex, noise-dominated environments.
Authors: Jianing Zhang, Evan Chen, Dong-Jun Han, Chaoyue Liu, Christopher G. Brinton
Abstract: Vertical Federated Learning (VFL) enables collaborative model training across feature-partitioned devices, yet its reliance on device-server information exchange introduces significant communication overhead and privacy risks. Downlink communication from the server to devices in VFL exposes gradient-related signals of the global loss that can be leveraged in inference attacks. Existing privacy-preserving VFL approaches that inject differential privacy (DP) noise on the downlink have the natural repercussion of degraded gradient quality, slowed convergence, and excessive communication rounds. In this work, we propose DPZV, a communication-efficient and differentially private ZO-VFL framework with tunable privacy guarantees. Based on zeroth-order (ZO) optimization, DPZV injects calibrated scalar-valued DP noise on the downlink, significantly reducing variance amplification while providing equivalent protection against targeted inference attacks. Through rigorous theoretical analysis, we establish convergence guarantees comparable to first-order DP-SGD, despite relying solely on ZO estimators, and prove that DPZV satisfies $(\epsilon, \delta)$-DP. Extensive experiments demonstrate that DPZV consistently achieves a superior privacy-utility tradeoff and requires fewer communication rounds than existing DP-VFL baselines under strict privacy constraints ($\epsilon \leq 10$).
Authors: Nesryne Mejri, Enjie Ghorbel, Anis Kacem, Pavel Chernakov, Niki Foteinopoulou, Djamila Aouada
Abstract: This paper introduces the first fully unsupervised domain adaptation (UDA) framework for unsupervised anomaly detection (UAD). The performance of UAD techniques degrades significantly in the presence of a domain shift, difficult to avoid in a real-world setting. While UDA has contributed to solving this issue in binary and multi-class classification, such a strategy is ill-posed in UAD. This might be explained by the unsupervised nature of the two tasks, namely, domain adaptation and anomaly detection. Herein, we first formulate this problem that we call the two-fold unsupervised curse. Then, we propose a pioneering solution to this curse, considered intractable so far, by assuming that anomalies are rare. Specifically, we leverage clustering techniques to identify a dominant cluster in the target feature space. Posed as the normal cluster, the latter is aligned with the source normal features. Concretely, given a one-class source set and an unlabeled target set composed mostly of normal data and some anomalies, we fit the source features within a hypersphere while jointly aligning them with the features of the dominant cluster from the target set. The paper provides extensive experiments and analysis on common adaptation benchmarks for anomaly detection, demonstrating the relevance of both the newly introduced paradigm and the proposed approach. The code will be made publicly available.
Authors: Yali Fu, Jindong Li, Qi Wang, Qianli Xing
Abstract: Unsupervised graph-level anomaly detection (UGLAD) is a critical and challenging task across various domains, such as social network analysis, anti-cancer drug discovery, and toxic molecule identification. However, existing methods often struggle to capture long-range dependencies efficiently and neglect the spectral information. Recently, selective state space models, particularly Mamba, have demonstrated remarkable advantages in capturing long-range dependencies with linear complexity and a selection mechanism. Motivated by their success across various domains, we propose GLADMamba, a novel framework that adapts the selective state space model into UGLAD field. We design a View-Fused Mamba (VFM) module with a Mamba-Transformer-style architecture to efficiently fuse information from different graph views with a selective state mechanism. We also design a Spectrum-Guided Mamba (SGM) module with a Mamba-Transformer-style architecture to leverage the Rayleigh quotient to guide the embedding refinement process, considering the spectral information for UGLAD. GLADMamba can dynamically focus on anomaly-related information while discarding irrelevant information for anomaly detection. To the best of our knowledge, this is the first work to introduce Mamba and explicit spectral information to UGLAD. Extensive experiments on 12 real-world datasets demonstrate that GLADMamba outperforms existing state-of-the-art methods, achieving superior performance in UGLAD. The code is available at https://github.com/Yali-Fu/GLADMamba.
Authors: Cong Qi, Yeqing Chen, Zhi Wei
Abstract: Single-cell RNA sequencing (scRNA-seq) has revealed complex cellular heterogeneity, but recent studies emphasize that understanding biological function also requires modeling cell-cell communication (CCC), the signaling interactions mediated by ligand-receptor pairs that coordinate cellular behavior. Tools like CellChat have demonstrated that CCC plays a critical role in processes such as cell differentiation, tissue regeneration, and immune response, and that transcriptomic data inherently encodes rich information about intercellular signaling. We propose CCCVAE, a novel variational autoencoder framework that incorporates CCC signals into single-cell representation learning. By leveraging a communication-aware kernel derived from ligand-receptor interactions and a sparse Gaussian process, CCCVAE encodes biologically informed priors into the latent space. Unlike conventional VAEs that treat each cell independently, CCCVAE encourages latent embeddings to reflect both transcriptional similarity and intercellular signaling context. Empirical results across four scRNA-seq datasets show that CCCVAE improves clustering performance, achieving higher evaluation scores than standard VAE baselines. This work demonstrates the value of embedding biological priors into deep generative models for unsupervised single-cell analysis.
Authors: Kefan Song, Amir Moeini, Peng Wang, Lei Gong, Rohan Chandra, Shangtong Zhang, Yanjun Qi
Abstract: Reinforcement learning (RL) is a framework for solving sequential decision-making problems. In this work, we demonstrate that, surprisingly, RL emerges during the inference time of large language models (LLMs), a phenomenon we term in-context RL (ICRL). To reveal this capability, we introduce a simple multi-round prompting framework, we call ICRL prompting, for inference-time self-improvement. The goal of ICRL prompting is to guide LLMs to perform reinforcement learning during inference for self-improvement on a given task. After each response, the model receives numerical scalar feedback, denoted as a reward. In the next round, we prompt the LLM again together with a context that concatenates all prior responses and their associated rewards. We consistently observe that response quality improves as the context grows. In other words, the LLM can optimize scalar reward signals during inference, exhibiting behavior analogous to reinforcement learning. We evaluate ICRL prompting on Game of 24, creative writing, ScienceWorld, and Olympiad-level math competitions (AIME and HMMT), demonstrating significant improvements over baselines such as Self-Refine and Reflexion. Notably, even when the reward signals are generated by the same LLM, ICRL prompting still improves performance, highlighting a promising new paradigm for test-time scaling.
Authors: Xintong Duan, Yutong He, Fahim Tajwar, Ruslan Salakhutdinov, J. Zico Kolter, Jeff Schneider
Abstract: Although diffusion models have achieved strong results in decision-making tasks, their slow inference speed remains a key limitation. While consistency models offer a potential solution, existing applications to decision-making either struggle with suboptimal demonstrations under behavior cloning or rely on complex concurrent training of multiple networks under the actor-critic framework. In this work, we propose a novel approach to consistency distillation for offline reinforcement learning that directly incorporates reward optimization into the distillation process. Our method achieves single-step sampling while generating higher-reward action trajectories through decoupled training and noise-free reward signals. Empirical evaluations on the Gym MuJoCo, FrankaKitchen, and long horizon planning benchmarks demonstrate that our approach can achieve a 9.7% improvement over previous state-of-the-art while offering up to 142x speedup over diffusion counterparts in inference time.
Authors: Aho Yapi, Pierre Latouche, Arnaud Guillin, Yan Bailly
Abstract: We propose a generic framework for short-term occupational accident forecasting that leverages safety inspections and models accident occurrences as binary time series. The approach generates daily predictions, which are then aggregated into weekly safety assessments to better inform decision making. To ensure the reliability and operational applicability of the forecasts, we apply a sliding-window cross-validation procedure specifically designed for time series data, combined with an evaluation based on aggregated period-level metrics. Several machine learning algorithms, including logistic regression, tree-based models, and neural networks, are trained and systematically compared within this framework. Unlike the other approaches, the long short-term memory (LSTM) network outperforms the other approaches and detects the upcoming high-risk periods with a balanced accuracy of 0.86, confirming the robustness of our methodology and demonstrating that a binary time series model can anticipate these critical periods based on safety inspections. The proposed methodology converts routine safety inspection data into clear weekly risk scores, detecting the periods when accidents are most likely. Decision-makers can integrate these scores into their planning tools to classify inspection priorities, schedule targeted interventions, and funnel resources to the sites or shifts classified as highest risk, stepping in before incidents occur and getting the greatest return on safety investments.
Authors: Xinquan Huang, Paris Perdikaris
Abstract: Neural networks have emerged as powerful surrogates for solving partial differential equations (PDEs), offering significant computational speedups over traditional methods. However, these models suffer from a critical limitation: error accumulation during long-term rollouts, where small inaccuracies compound exponentially, eventually causing complete divergence from physically valid solutions. We present PhysicsCorrect, a training-free correction framework that enforces PDE consistency at each prediction step by formulating correction as a linearized inverse problem based on PDE residuals. Our key innovation is an efficient caching strategy that precomputes the Jacobian and its pseudoinverse during an offline warm-up phase, reducing computational overhead by two orders of magnitude compared to standard correction approaches. Across three representative PDE systems, including Navier-Stokes fluid dynamics, wave equations, and the chaotic Kuramoto-Sivashinsky equation, PhysicsCorrect reduces prediction errors by up to 100x while adding negligible inference time (under 5%). The framework integrates seamlessly with diverse architectures, including Fourier Neural Operators, UNets, and Vision Transformers, effectively transforming unstable neural surrogates into reliable simulation tools that bridge the gap between deep learning's computational efficiency and the physical fidelity demanded by practical scientific applications.
Authors: Zicheng Zhang, Haoran Li, Yifeng Zhang, Guoqiang Gong, Jiaxing Wang, Junxing Hu, Pengzhang Liu, Qixia Jiang
Abstract: Low-Rank Adaptation (LoRA) offers a parameter-efficient paradigm for tuning large models. While recent spectral initialization methods improve convergence and performance over the naive "Noise & Zeros" scheme, their extra computational and storage overhead undermines efficiency. In this paper, we establish update magnitude as the fundamental driver of LoRA performance and propose LoRAM, a magnitude-driven "Basis & Basis" initialization scheme that matches spectral methods without their inefficiencies. Our key contributions are threefold: (i) Magnitude of weight updates determines convergence. We prove low-rank structures intrinsically bound update magnitudes, unifying hyperparameter tuning in learning rate, scaling factor, and initialization as mechanisms to optimize magnitude regulation. (ii) Spectral initialization succeeds via magnitude amplification. We demystify that the presumed knowledge-driven benefit of the spectral component essentially arises from the boost in the weight update magnitude. (iii) A novel and compact initialization strategy, LoRAM, scales deterministic orthogonal bases using pretrained weight magnitudes to simulate spectral gains. Extensive experiments show that LoRAM serves as a strong baseline, retaining the full efficiency of LoRA while matching or outperforming spectral initialization across benchmarks.
Authors: Qian Xie, Linda Cai, Alexander Terenin, Peter I. Frazier, Ziv Scully
Abstract: In automated machine learning, scientific discovery, and other applications of Bayesian optimization, deciding when to stop evaluating expensive black-box functions in a cost-aware manner is an important but underexplored practical consideration. A natural performance metric for this purpose is the cost-adjusted simple regret, which captures the trade-off between solution quality and cumulative evaluation cost. While several heuristic or adaptive stopping rules have been proposed, they lack guarantees ensuring stopping before incurring excessive function evaluation costs. We propose a principled cost-aware stopping rule for Bayesian optimization that adapts to varying evaluation costs without heuristic tuning. Our rule is grounded in a theoretical connection to state-of-the-art cost-aware acquisition functions, namely the Pandora's Box Gittins Index (PBGI) and log expected improvement per cost (LogEIPC). We prove a theoretical guarantee bounding the expected cost-adjusted simple regret incurred by our stopping rule when paired with either acquisition function. Across synthetic and empirical tasks, including hyperparameter optimization and neural architecture size search, pairing our stopping rule with PBGI or LogEIPC usually matches or outperforms other acquisition-function--stopping-rule pairs in terms of cost-adjusted simple regret.
Authors: Aditya Sharma, 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: Xuan Wu, Di Wang, Chunguo Wu, Kaifang Qi, Chunyan Miao, Yubin Xiao, Jian Zhang, You Zhou
Abstract: Numerous Neural Combinatorial Optimization (NCO) solvers have been proposed to address Vehicle Routing Problems (VRPs). However, most of these solvers focus exclusively on single-vehicle VRP variants, overlooking the more realistic min-max Heterogeneous Capacitated Vehicle Routing Problem (MMHCVRP), which involves multiple vehicles. Existing MMHCVRP solvers typically select a vehicle and its next node to visit at each decoding step, but often make myopic decoding decisions and overlook key properties of MMHCVRP, including local topological relationships, vehicle permutation invariance, and node symmetry, resulting in suboptimal performance. To better address these limitations, we propose ECHO, an efficient NCO solver. First, ECHO exploits the proposed dual-modality node encoder to capture local topological relationships among nodes. Subsequently, to mitigate myopic decisions, ECHO employs the proposed Parameter-Free Cross-Attention mechanism to prioritize the vehicle selected in the preceding decoding step. Finally, leveraging vehicle permutation invariance and node symmetry, we introduce a tailored data augment strategy for MMHCVRP to stabilize the Reinforcement Learning training process. To assess the performance of ECHO, we conduct extensive experiments. The experimental results demonstrate that ECHO outperforms state-of-the-art NCO solvers across varying numbers of vehicles and nodes, and exhibits well-performing generalization across both scales and distribution patterns. Finally, ablation studies validate the effectiveness of all proposed methods.
Authors: Yue Xia, Tayyebeh Jahani-Nezhad, Rawad Bitar
Abstract: We propose Fed-DPRoC, a novel federated learning framework designed to jointly provide differential privacy (DP), Byzantine robustness, and communication efficiency. Central to our approach is the concept of robust-compatible compression, which allows reducing the bi-directional communication overhead without undermining the robustness of the aggregation. We instantiate our framework as RobAJoL, which integrates the Johnson-Lindenstrauss (JL)-based compression mechanism with robust averaging for robustness. Our theoretical analysis establishes the compatibility of JL transform with robust averaging, ensuring that RobAJoL maintains robustness guarantees, satisfies DP, and substantially reduces communication overhead. We further present simulation results on CIFAR-10, Fashion MNIST, and FEMNIST, validating our theoretical claims. We compare RobAJoL with a state-of-the-art communication-efficient and robust FL scheme augmented with DP for a fair comparison, demonstrating that RobAJoL outperforms existing methods in terms of robustness and utility under different Byzantine attacks.
Authors: Kentaro Nakamura
Abstract: As researchers increasingly rely on machine learning models and LLMs to annotate unstructured data, such as texts or images, various approaches have been proposed to correct bias in downstream statistical analysis. However, existing methods tend to yield large standard errors and require some error-free human annotation. In this paper, I introduce Surrogate Representation Inference (SRI), which assumes that unstructured data fully mediate the relationship between human annotations and structured variables. The assumption is guaranteed by design provided that human coders rely only on unstructured data for annotation. Under this setting, I propose a neural network architecture that learns a low-dimensional representation of unstructured data such that the surrogate assumption remains to be satisfied. When multiple human annotations are available, SRI can be extended to further correct non-differential measurement errors that may exist in human annotations. Focusing on text-as-outcome settings, I formally establish the identification conditions and semiparametric efficient estimation strategies that enable learning and leveraging such a low-dimensional representation. Simulation studies and a real-world application demonstrate that SRI reduces standard errors by over 50% when machine learning classification accuracy is moderate and provides valid inference even when human annotations contain non-differential measurement errors.
Authors: Lianghe Shi, Meng Wu, Huijie Zhang, Zekai Zhang, Molei Tao, Qing Qu
Abstract: The widespread use of diffusion models has led to an abundance of AI-generated data, raising concerns about model collapse -- a phenomenon in which recursive iterations of training on synthetic data lead to performance degradation. Prior work primarily characterizes this collapse via variance shrinkage or distribution shift, but these perspectives miss practical manifestations of model collapse. This paper identifies a transition from generalization to memorization during model collapse in diffusion models, where models increasingly replicate training data instead of generating novel content during iterative training on synthetic samples. This transition is directly driven by the declining entropy of the synthetic training data produced in each training cycle, which serves as a clear indicator of model degradation. Motivated by this insight, we propose an entropy-based data selection strategy to mitigate the transition from generalization to memorization and alleviate model collapse. Empirical results show that our approach significantly enhances visual quality and diversity in recursive generation, effectively preventing collapse.
Authors: Hideyuki Suzuki, Hiroshi Yamashita
Abstract: We propose a deterministic denoising algorithm for discrete-state diffusion models based on Markov chains. The generative reverse process is derandomized by introducing a variant of the herding algorithm with weakly chaotic dynamics, which induces deterministic discrete state transitions. Our approach is a direct replacement for the stochastic denoising process, requiring neither retraining nor continuous state embeddings. We demonstrate consistent improvements in both efficiency and sample quality on text and image generation tasks. Thus, this simple derandomization approach is expected to enhance the significance of discrete diffusion in generative modeling. Furthermore, our results reveal that deterministic reverse processes, well established in continuous diffusion, can also be effective in discrete state spaces.
Authors: Quan Nguyen
Abstract: While Adam is one of the most effective optimizer for training large-scale machine learning models, a theoretical understanding of how to optimally set its momentum factors, $\beta_1$ and $\beta_2$, remains largely incomplete. Prior works have shown that Adam can be seen as an instance of Follow-the-Regularized-Leader (FTRL), one of the most important class of algorithms in online learning. The prior analyses in these works required setting $\beta_1 = \sqrt{\beta_2}$, which does not cover the more practical cases with $\beta_1 \neq \sqrt{\beta_2}$. We derive novel, more general analyses that hold for both $\beta_1 \geq \sqrt{\beta_2}$ and $\beta_1 \leq \sqrt{\beta_2}$. In both cases, our results strictly generalize the existing bounds. Furthermore, we show that our bounds are tight in the worst case. We also prove that setting $\beta_1 = \sqrt{\beta_2}$ is optimal for an oblivious adversary, but sub-optimal for an non-oblivious adversary.
Authors: Yunzhen Yao, Lie He, Michael Gastpar
Abstract: Conformal prediction provides prediction sets with coverage guarantees. The informativeness of conformal prediction depends on its efficiency, typically quantified by the expected size of the prediction set. Prior work on the efficiency of conformalized regression commonly treats the miscoverage level $\alpha$ as a fixed constant. In this work, we establish non-asymptotic bounds on the deviation of the prediction set length from the oracle interval length for conformalized quantile and median regression trained via SGD, under mild assumptions on the data distribution. Our bounds of order $\mathcal{O}(1/\sqrt{n} + 1/(\alpha^2 n) + 1/\sqrt{m} + \exp(-\alpha^2 m))$ capture the joint dependence of efficiency on the proper training set size $n$, the calibration set size $m$, and the miscoverage level $\alpha$. The results identify phase transitions in convergence rates across different regimes of $\alpha$, offering guidance for allocating data to control excess prediction set length. Empirical results are consistent with our theoretical findings.
Authors: Marmik Chaudhari, Jeremi Nuer, Rome Thorstenson
Abstract: Mixture of Experts (MoE) models have become central to scaling large language models, yet their mechanistic differences from dense networks remain poorly understood. Previous work has explored how dense models use \textit{superposition} to represent more features than dimensions, and how superposition is a function of feature sparsity and feature importance. MoE models cannot be explained mechanistically through the same lens. We find that neither feature sparsity nor feature importance cause discontinuous phase changes, and that network sparsity (the ratio of active to total experts) better characterizes MoEs. We develop new metrics for measuring superposition across experts. Our findings demonstrate that models with greater network sparsity exhibit greater \emph{monosemanticity}. We propose a new definition of expert specialization based on monosemantic feature representation rather than load balancing, showing that experts naturally organize around coherent feature combinations when initialized appropriately. These results suggest that network sparsity in MoEs may enable more interpretable models without sacrificing performance, challenging the common assumption that interpretability and capability are fundamentally at odds.
Authors: Wenjie Zhou, Bohan Wang, Wei Chen, Xueqi Cheng
Abstract: Recent studies \citep{gur2018gradient,song2024does, wen2024understanding} highlight a fundamental dichotomy in deep learning optimization: Although parameter updates along the top eigendirections of the loss Hessian (Dom-space) capture most of the update magnitude, they often contribute minimally to loss reduction. In contrast, updates in the orthogonal component (Bulk-space) have smaller magnitudes but drive most learning progress. In this work, we further advance the understanding of this phenomenon and introduce the \textbf{Bulk-Space-Filtration-Accelerator (BSFA)}, a novel plug-and-play framework. BSFA accelerates training by differentially scaling update components projected onto these distinct subspaces, simultaneously enhancing stability by moderating updates in the dominant subspace and boosting convergence speed by amplifying those in the bulk-space. To ensure BSFA is both practical and scalable for contemporary large models, we introduce two key innovations: an efficient estimator using Principal Component Analysis (PCA) on historical updates for fast subspace estimation, and a block-wise strategy that applies this estimation on a per-parameter-block basis. These designs make BSFA computationally tractable and highly effective. We demonstrate BSFA's acceleration across various tasks, notably achieving approximately 2$\times$ speedup when pre-training LLaMA-72M on WikiText-103 and LLaMA-134M on OpenWebText compared to vanilla AdamW.
Authors: Yuxi Liu, Renjia Deng, Yutong He, Xue Wang, Tao Yao, Kun Yuan
Abstract: The substantial memory demands of pre-training and fine-tuning large language models (LLMs) require memory-efficient optimization algorithms. One promising approach is layer-wise optimization, which treats each transformer block as a single layer and optimizes it sequentially, while freezing the other layers to save optimizer states and activations. Although effective, these methods ignore the varying importance of the modules within each layer, leading to suboptimal performance. Moreover, layer-wise sampling provides only limited memory savings, as at least one full layer must remain active during optimization. To overcome these limitations, we propose Module-wise Importance SAmpling (MISA), a novel method that divides each layer into smaller modules and assigns importance scores to each module. MISA uses a weighted random sampling mechanism to activate modules, provably reducing gradient variance compared to layer-wise sampling. Additionally, we establish an \(\mathcal{O}(1/\sqrt{K})\) convergence rate under non-convex and stochastic conditions, where $K$ is the total number of block updates, and provide a detailed memory analysis showcasing MISA's superiority over existing baseline methods. Experiments on diverse learning tasks validate the effectiveness of MISA. Source code is available at https://github.com/pkumelon/MISA.
Authors: Kristiyan Sakalyan, Alessandro Palma, Filippo Guerranti, Fabian J. Theis, Stephan G\"unnemann
Abstract: Understanding the evolution of cellular microenvironments in spatiotemporal data is essential for deciphering tissue development and disease progression. While experimental techniques like spatial transcriptomics now enable high-resolution mapping of tissue organization across space and time, current methods that model cellular evolution operate at the single-cell level, overlooking the coordinated development of cellular states in a tissue. We introduce NicheFlow, a flow-based generative model that infers the temporal trajectory of cellular microenvironments across sequential spatial slides. By representing local cell neighborhoods as point clouds, NicheFlow jointly models the evolution of cell states and spatial coordinates using optimal transport and Variational Flow Matching. Our approach successfully recovers both global spatial architecture and local microenvironment composition across diverse spatiotemporal datasets, from embryonic to brain development.
Authors: Chaoqun Fei, Tinglve Zhou, Tianyong Hao, Yangyang Li
Abstract: Graph curvature provides geometric priors for Graph Neural Networks (GNNs), enhancing their ability to model complex graph structures, particularly in terms of structural awareness, robustness, and theoretical interpretability. Among existing methods, Ollivier-Ricci curvature has been extensively studied due to its strong geometric interpretability, effectively characterizing the local geometric distribution between nodes. However, its prohibitively high computational complexity limits its applicability to large-scale graph datasets. To address this challenge, we propose a novel graph curvature measure--Effective Resistance Curvature--which quantifies the ease of message passing along graph edges using the effective resistance between node pairs, instead of the optimal transport distance. This method significantly outperforms Ollivier-Ricci curvature in computational efficiency while preserving comparable geometric expressiveness. Theoretically, we prove the low computational complexity of effective resistance curvature and establish its substitutability for Ollivier-Ricci curvature. Furthermore, extensive experiments on diverse GNN tasks demonstrate that our method achieves competitive performance with Ollivier-Ricci curvature while drastically reducing computational overhead.
Authors: Kaleem Ullah Qasim, Jiashu Zhang
Abstract: Background: Recursive reasoning models achieve strong performance through iterative refinement, allowing small networks to match large language models. However, training is computationally expensive, often requiring 36 GPU-hours for Sudoku extreme. Existing models use fixed recursion depth and uniform supervision weighting, leading to inefficient training. Objectives: We propose CGAR (Curriculum-Guided Adaptive Recursion), applying curriculum learning to architectural depth. CGAR introduces Progressive Depth Curriculum (PDC) to dynamically adjust recursion depth and Hierarchical Supervision Weighting (HSW) to apply exponentially decaying importance to supervision steps. Methods: PDC implements a three-stage schedule transitioning from shallow (2, 1) to full depth (6, 3) configurations, providing 41.4% FLOPs reduction. HSW applies exponential decay to supervision steps, achieving 40% gradient variance reduction and accelerated convergence. Results: On Sudoku-Extreme, CGAR achieves 1.71x training speedup (10.93 to 6.38 hours) with only a 0.63% accuracy drop (86.65% to 86.02%). PDC alone achieves 2.26x speedup with 85.47% accuracy, showing a Pareto improvement in efficiency and quality. HSW provides 1.61x speedup. CGAR-trained models show superior inference efficiency with 100% halting accuracy and 11% fewer reasoning steps. Conclusions: CGAR enables efficient training of recursive models on modest hardware. By treating depth as a scheduled parameter, it achieves substantial savings and prevents overfitting, making these models practical for neurosymbolic AI and program synthesis. https://github.com/Kaleemullahqasim/CGAR and huggingface.co/Kaleemullah/trm-cgar-sudoku.
Authors: Kabir Khan, Manju Sarkar, Anita Kar, Suresh Ghosh
Abstract: Large generative models (for example, language and diffusion models) enable high-quality text and image synthesis but are hard to train or adapt in cross-device federated settings due to heavy computation and communication and statistical/system heterogeneity. We propose FedGen-Edge, a framework that decouples a frozen, pre-trained global backbone from lightweight client-side adapters and federates only the adapters. Using Low-Rank Adaptation (LoRA) constrains client updates to a compact subspace, which reduces uplink traffic by more than 99 percent versus full-model FedAvg, stabilizes aggregation under non-IID data, and naturally supports personalization because each client can keep a locally tuned adapter. On language modeling (PTB) and image generation (CIFAR-10), FedGen-Edge achieves lower perplexity/FID and faster convergence than strong baselines while retaining a simple FedAvg-style server. A brief ablation shows diminishing returns beyond moderate LoRA rank and a trade-off between local epochs and client drift. FedGen-Edge offers a practical path toward privacy-preserving, resource-aware, and personalized generative AI on heterogeneous edge devices.
Authors: Zichong Wang, Zhipeng Yin, Liping Yang, Jun Zhuang, Rui Yu, Qingzhao Kong, Wenbin Zhang
Abstract: Ensuring fairness in Graph Neural Networks is fundamental to promoting trustworthy and socially responsible machine learning systems. In response, numerous fair graph learning methods have been proposed in recent years. However, most of them assume full access to demographic information, a requirement rarely met in practice due to privacy, legal, or regulatory restrictions. To this end, this paper introduces a novel fair graph learning framework that mitigates bias in graph learning under limited demographic information. Specifically, we propose a mechanism guided by partial demographic data to generate proxies for demographic information and design a strategy that enforces consistent node embeddings across demographic groups. In addition, we develop an adaptive confidence strategy that dynamically adjusts each node's contribution to fairness and utility based on prediction confidence. We further provide theoretical analysis demonstrating that our framework, FairGLite, achieves provable upper bounds on group fairness metrics, offering formal guarantees for bias mitigation. Through extensive experiments on multiple datasets and fair graph learning frameworks, we demonstrate the framework's effectiveness in both mitigating bias and maintaining model utility.
Authors: Yosuke Nishimoto, Takashi Matsubara
Abstract: World models have been developed to support sample-efficient deep reinforcement learning agents. However, it remains challenging for world models to accurately replicate environments that are high-dimensional, non-stationary, and composed of multiple objects with rich interactions since most world models learn holistic representations of all environmental components. By contrast, humans perceive the environment by decomposing it into discrete objects, facilitating efficient decision-making. Motivated by this insight, we propose \emph{Slot Transformer Imagination with CAusality-aware reinforcement learning} (STICA), a unified framework in which object-centric Transformers serve as the world model and causality-aware policy and value networks. STICA represents each observation as a set of object-centric tokens, together with tokens for the agent action and the resulting reward, enabling the world model to predict token-level dynamics and interactions. The policy and value networks then estimate token-level cause--effect relations and use them in the attention layers, yielding causality-guided decision-making. Experiments on object-rich benchmarks demonstrate that STICA consistently outperforms state-of-the-art agents in both sample efficiency and final performance.
Authors: Jian Lu
Abstract: Since the introduction of the GRPO algorithm, reinforcement learning (RL) has attracted increasing attention, with growing efforts to reproduce and apply it. However, training efficiency remains a critical challenge. In mainstream RL frameworks, inference and training are typically deployed on the same devices. While this approach reduces costs through resource consolidation, its synchronous execution imposes a computational coupling that prevents concurrent inference and training. In this study, we are returning to the strategy of separating inference and training deployment, and by introducing improvements in the data loader, we transform the conventional synchronous architecture into a periodically asynchronous framework, which allows for demand-driven, independent, and elastic scaling of each component, while the accuracy of the algorithm remains completely equivalent to the synchronization method, with both belonging to the on-policy strategy. It is worth emphasizing that we apply a unified tri-model architecture in the training phase, and we also proposed a shared-prompt attention mask to reduce repetitive computation. In practice, these works have achieved at least a threefold overall performance improvement in RL training on NPU platforms, indicating its potential for widespread application.
Authors: Yifan Lei, Jiahua Luo, Tingyu Jiang, Bo Zhang, Lifeng Wang, Dapeng Liu, Zhaoren Wu, Haijie Gu, Huan Yu, Jie Jiang
Abstract: In large-scale advertising recommendation systems, retrieval serves as a critical component, aiming to efficiently select a subset of candidate ads relevant to user behaviors from a massive ad inventory for subsequent ranking and recommendation. The Embedding-Based Retrieval (EBR) methods modeled by the dual-tower network are widely used in the industry to maintain both retrieval efficiency and accuracy. However, the dual-tower model has significant limitations: the embeddings of users and ads interact only at the final inner product computation, resulting in insufficient feature interaction capabilities. Although DNN-based models with both user and ad as input features, allowing for early-stage interaction between these features, are introduced in the ranking stage to mitigate this issue, they are computationally infeasible for the retrieval stage. To bridge this gap, this paper proposes an efficient GPU-based feature interaction for the dual-tower network to significantly improve retrieval accuracy while substantially reducing computational costs. Specifically, we introduce a novel compressed inverted list designed for GPU acceleration, enabling efficient feature interaction computation at scale. To the best of our knowledge, this is the first framework in the industry to successfully implement Wide and Deep in a retrieval system. We apply this model to the real-world business scenarios in Tencent Advertising, and experimental results demonstrate that our method outperforms existing approaches in offline evaluation and has been successfully deployed to Tencent's advertising recommendation system, delivering significant online performance gains. This improvement not only validates the effectiveness of the proposed method, but also provides new practical guidance for optimizing large-scale ad retrieval systems.
Authors: Yuzhu Chen, Tian Qin, Xinmei Tian, Fengxiang He, Dacheng Tao
Abstract: Equivariant neural networks encode symmetry as an inductive bias and have achieved strong empirical performance in wide domains. However, their expressive power remains not well understood. Focusing on 2-layer ReLU networks, this paper investigates the impact of equivariance constraints on the expressivity of equivariant and layer-wise equivariant networks. By examining the boundary hyperplanes and the channel vectors of ReLU networks, we construct an example showing that equivariance constraints could strictly limit expressive power. However, we demonstrate that this drawback can be compensated via enlarging the model size. Furthermore, we show that despite a larger model size, the resulting architecture could still correspond to a hypothesis space with lower complexity, implying superior generalizability for equivariant networks.
Authors: Dimitri von R\"utte, Janis Fluri, Omead Pooladzandi, Bernhard Sch\"olkopf, Thomas Hofmann, Antonio Orvieto
Abstract: Modern LLM pre-training consumes vast amounts of compute and training data, making the scaling behavior, or scaling laws, of different models a key distinguishing factor. Discrete diffusion language models (DLMs) have been proposed as an alternative to autoregressive language models (ALMs). However, their scaling behavior has not yet been fully explored, with prior work suggesting that they require more data and compute to match the performance of ALMs. We study the scaling behavior of DLMs on different noise types by smoothly interpolating between masked and uniform diffusion while paying close attention to crucial hyperparameters such as batch size and learning rate. Our experiments reveal that the scaling behavior of DLMs strongly depends on the noise type and is considerably different from ALMs. While all noise types converge to similar loss values in compute-bound scaling, we find that uniform diffusion requires more parameters and less data for compute-efficient training compared to masked diffusion, making them a promising candidate in data-bound settings. We scale our uniform diffusion model up to 10B parameters trained for $10^{22}$ FLOPs, confirming the predicted scaling behavior and making it the largest publicly known uniform diffusion model to date.
Authors: Edwin Oluoch Awino, Denis Machanda
Abstract: Flooding is one of the most destructive natural hazards worldwide, posing serious risks to ecosystems, infrastructure, and human livelihoods. This study combines Synthetic Aperture Radar (SAR) imagery with environmental and hydrological data to model flood susceptibility in the River Nyando watershed, western Kenya. Sentinel-1 dual-polarization SAR data from the May 2024 flood event were processed to produce a binary flood inventory, which served as training data for machine learning (ML) models. Six conditioning factors -- slope, elevation, aspect, land use/land cover, soil type, and distance from streams -- were integrated with the SAR-derived flood inventory to train four supervised classifiers: Logistic Regression (LR), Classification and Regression Trees (CART), Support Vector Machines (SVM), and Random Forest (RF). Model performance was assessed using accuracy, Cohen's Kappa, and Receiver Operating Characteristic (ROC) analysis. Results indicate that RF achieved the highest predictive performance (accuracy = 0.762; Kappa = 0.480), outperforming LR, CART, and SVM. The RF-based susceptibility map showed that low-lying Kano Plains near Lake Victoria have the highest flood vulnerability, consistent with historical flood records and the impacts of the May 2024 event. These findings demonstrate the value of combining SAR data and ensemble ML methods for flood susceptibility mapping in regions with limited data. The resulting maps offer important insights for disaster risk reduction, land-use planning, and early warning system development.
Authors: Abdullah M. Zyarah, Dhireesha Kudithipudi
Abstract: Continual learning on edge platforms remains challenging because recurrent networks depend on energy-intensive training procedures and frequent data movement that are impractical for embedded deployments. This work introduces M2RU, a mixed-signal architecture that implements the minion recurrent unit for efficient temporal processing with on-chip continual learning. The architecture integrates weighted-bit streaming, which enables multi-bit digital inputs to be processed in crossbars without high-resolution conversion, and an experience replay mechanism that stabilizes learning under domain shifts. M2RU achieves 15 GOPS at 48.62 mW, corresponding to 312 GOPS per watt, and maintains accuracy within 5 percent of software baselines on sequential MNIST and CIFAR-10 tasks. Compared with a CMOS digital design, the accelerator provides 29X improvement in energy efficiency. Device-aware analysis shows an expected operational lifetime of 12.2 years under continual learning workloads. These results establish M2RU as a scalable and energy-efficient platform for real-time adaptation in edge-level temporal intelligence.
Authors: Yidong Chai, Yi Liu, Mohammadreza Ebrahimi, Weifeng Li, Balaji Padmanabhan
Abstract: Social media platforms are plagued by harmful content such as hate speech, misinformation, and extremist rhetoric. Machine learning (ML) models are widely adopted to detect such content; however, they remain highly vulnerable to adversarial attacks, wherein malicious users subtly modify text to evade detection. Enhancing adversarial robustness is therefore essential, requiring detectors that can defend against diverse attacks (generalizability) while maintaining high overall accuracy. However, simultaneously achieving both optimal generalizability and accuracy is challenging. Following the computational design science paradigm, this study takes a sequential approach that first proposes a novel framework (Large Language Model-based Sample Generation and Aggregation, LLM-SGA) by identifying the key invariances of textual adversarial attacks and leveraging them to ensure that a detector instantiated within the framework has strong generalizability. Second, we instantiate our detector (Adversarially Robust Harmful Online Content Detector, ARHOCD) with three novel design components to improve detection accuracy: (1) an ensemble of multiple base detectors that exploits their complementary strengths; (2) a novel weight assignment method that dynamically adjusts weights based on each sample's predictability and each base detector's capability, with weights initialized using domain knowledge and updated via Bayesian inference; and (3) a novel adversarial training strategy that iteratively optimizes both the base detectors and the weight assignor. We addressed several limitations of existing adversarial robustness enhancement research and empirically evaluated ARHOCD across three datasets spanning hate speech, rumor, and extremist content. Results show that ARHOCD offers strong generalizability and improves detection accuracy under adversarial conditions.
Authors: Yizhou Zhang
Abstract: Empirical power--law scaling has been widely observed across modern deep learning systems, yet its theoretical origins and scope of validity remain incompletely understood. The Generalized Resolution--Shell Dynamics (GRSD) framework models learning as spectral energy transport across logarithmic resolution shells, providing a coarse--grained dynamical description of training. Within GRSD, power--law scaling corresponds to a particularly simple renormalized shell dynamics; however, such behavior is not automatic and requires additional structural properties of the learning process. In this work, we identify a set of sufficient conditions under which the GRSD shell dynamics admits a renormalizable coarse--grained description. These conditions constrain the learning configuration at multiple levels, including boundedness of gradient propagation in the computation graph, weak functional incoherence at initialization, controlled Jacobian evolution along training, and log--shift invariance of renormalized shell couplings. We further show that power--law scaling does not follow from renormalizability alone, but instead arises as a rigidity consequence: once log--shift invariance is combined with the intrinsic time--rescaling covariance of gradient flow, the renormalized GRSD velocity field is forced into a power--law form.
Authors: Mart\'i Medina-Hern\'andez, Janos Kert\'esz, Mih\'aly Fazekas
Abstract: Detecting fraud and corruption in public procurement remains a major challenge for governments worldwide. Most research to-date builds on domain-knowledge-based corruption risk indicators of individual contract-level features and some also analyzes contracting network patterns. A critical barrier for supervised machine learning is the absence of confirmed non-corrupt, negative, examples, which makes conventional machine learning inappropriate for this task. Using publicly available data on federally funded procurement in Mexico and company sanction records, this study implements positive-unlabeled (PU) learning algorithms that integrate domain-knowledge-based red flags with network-derived features to identify likely corrupt and fraudulent contracts. The best-performing PU model on average captures 32 percent more known positives and performs on average 2.3 times better than random guessing, substantially outperforming approaches based solely on traditional red flags. The analysis of the Shapley Additive Explanations reveals that network-derived features, particularly those associated with contracts in the network core or suppliers with high eigenvector centrality, are the most important. Traditional red flags further enhance model performance in line with expectations, albeit mainly for contracts awarded through competitive tenders. This methodology can support law enforcement in Mexico, and it can be adapted to other national contexts too.
Authors: Jiayun Wu, Jiashuo Liu, Zhiyuan Zeng, Tianyang Zhan, Tianle Cai, Wenhao Huang
Abstract: LLM deployment in critical domains is currently impeded by persistent hallucinations--generating plausible but factually incorrect assertions. While scaling laws drove significant improvements in general capabilities, theoretical frameworks suggest hallucination is not merely stochastic error but a predictable statistical consequence of training objectives prioritizing mimicking data distribution over epistemic honesty. Standard RLVR paradigms, utilizing binary reward signals, inadvertently incentivize models as good test-takers rather than honest communicators, encouraging guessing whenever correctness probability exceeds zero. This paper presents an exhaustive investigation into behavioral calibration, which incentivizes models to stochastically admit uncertainty by abstaining when not confident, aligning model behavior with accuracy. Synthesizing recent advances, we propose and evaluate training interventions optimizing strictly proper scoring rules for models to output a calibrated probability of correctness. Our methods enable models to either abstain from producing a complete response or flag individual claims where uncertainty remains. Utilizing Qwen3-4B-Instruct, empirical analysis reveals behavior-calibrated reinforcement learning allows smaller models to surpass frontier models in uncertainty quantification--a transferable meta-skill decouplable from raw predictive accuracy. Trained on math reasoning tasks, our model's log-scale Accuracy-to-Hallucination Ratio gain (0.806) exceeds GPT-5's (0.207) in a challenging in-domain evaluation (BeyondAIME). Moreover, in cross-domain factual QA (SimpleQA), our 4B LLM achieves zero-shot calibration error on par with frontier models including Grok-4 and Gemini-2.5-Pro, even though its factual accuracy is much lower.
Authors: Saisai Yang, Qingyi Huang, Jing Yuan, Liangyu Zha, Kai Tang, Yuhang Yang, Ning Wang, Yucheng Wei, Liyao Li, Wentao Ye, Hao Chen, Tao Zhang, Junlin Zhou, Haobo Wang, Gang Chen, Junbo Zhao
Abstract: Tabular data serves as the backbone of modern data analysis and scientific research. While Large Language Models (LLMs) fine-tuned via Supervised Fine-Tuning (SFT) have significantly improved natural language interaction with such structured data, they often fall short in handling the complex, multi-step reasoning and robust code execution required for real-world table tasks. Reinforcement Learning (RL) offers a promising avenue to enhance these capabilities, yet its application in the tabular domain faces three critical hurdles: the scarcity of high-quality agentic trajectories with closed-loop code execution and environment feedback on diverse table structures, the extreme heterogeneity of feedback signals ranging from rigid SQL execution to open-ended data interpretation, and the risk of catastrophic forgetting of general knowledge during vertical specialization. To overcome these challenges and unlock advanced reasoning on complex tables, we introduce \textbf{TableGPT-R1}, a specialized tabular model built on a systematic RL framework. Our approach integrates a comprehensive data engineering pipeline that synthesizes difficulty-stratified agentic trajectories for both supervised alignment and RL rollouts, a task-adaptive reward system that combines rule-based verification with a criteria-injected reward model and incorporates process-level step reward shaping with behavioral regularization, and a multi-stage training framework that progressively stabilizes reasoning before specializing in table-specific tasks. Extensive evaluations demonstrate that TableGPT-R1 achieves state-of-the-art performance on authoritative benchmarks, significantly outperforming baseline models while retaining robust general capabilities. Our model is available at https://huggingface.co/tablegpt/TableGPT-R1.
Authors: Haidong Hu
Abstract: Deep clustering critically depends on representations that expose clear cluster structure, yet most prior methods learn a single embedding with an autoencoder or a self-supervised encoder and treat it as the primary representation for clustering. In contrast, a pretrained diffusion model induces a rich representation trajectory over network layers and noise timesteps, along which clusterability varies substantially. We propose Diffusion Embedded Clustering (DiEC), an unsupervised clustering framework that exploits this trajectory by directly leveraging intermediate activations of a pretrained diffusion U-Net. DiEC formulates representation selection over layer * timestep and adopts a practical two-stage procedure: it uses the U-Net bottleneck as the Clustering Middle Layer (CML, l*) and identifies the Clustering-Optimal Timestep (COT, t*) via an efficient subset-based, noise-averaged search. Conditioning on (l*, t*), DiEC learns clustering embeddings through a lightweight residual mapping, optimized with a DEC-style KL self-training objective and structural regularization, while a parallel random-timestep denoising-consistency loss stabilizes training and preserves diffusion behavior. Experiments on standard benchmarks demonstrate that DiEC achieves strong clustering performance and reveal the importance of selecting diffusion representations for clustering.
Authors: Hirokatsu Kataoka, Sora Takashima, Ryo Hayamizu, Ryosuke Yamada, Kodai Nakashima, Xinyu Zhang, Edgar Josafat Martinez-Noriega, Nakamasa Inoue, Rio Yokota
Abstract: In the present work, we show that the performance of formula-driven supervised learning (FDSL) can match or even exceed that of ImageNet-21k and can approach that of the JFT-300M dataset without the use of real images, human supervision, or self-supervision during the pre-training of vision transformers (ViTs). For example, ViT-Base pre-trained on ImageNet-21k and JFT-300M showed 83.0 and 84.1% top-1 accuracy when fine-tuned on ImageNet-1k, and FDSL showed 83.8% top-1 accuracy when pre-trained under comparable conditions (hyperparameters and number of epochs). Especially, the ExFractalDB-21k pre-training was calculated with x14.2 fewer images compared with JFT-300M. Images generated by formulas avoid privacy and copyright issues, labeling costs and errors, and biases that real images suffer from, and thus have tremendous potential for pre-training general models. To understand the performance of the synthetic images, we tested two hypotheses, namely (i) object contours are what matter in FDSL datasets and (ii) an increased number of parameters for label creation improves performance in FDSL pre-training. To test the former hypothesis, we constructed a dataset that consisted of simple object contour combinations. We found that this dataset matched the performance of fractal databases. For the latter hypothesis, we found that increasing the difficulty of the pre-training task generally leads to better fine-tuning accuracy.
Authors: Ye Tian, Haolei Weng, Lucy Xia, Yang Feng
Abstract: Unsupervised learning has been widely used in many real-world applications. One of the simplest and most important unsupervised learning models is the Gaussian mixture model (GMM). In this work, we study the multi-task learning problem on GMMs, which aims to leverage potentially similar GMM parameter structures among tasks to obtain improved learning performance compared to single-task learning. We propose a multi-task GMM learning procedure based on the EM algorithm that effectively utilizes unknown similarities between related tasks and is robust against a fraction of outlier tasks from arbitrary distributions. The proposed procedure is shown to achieve the minimax optimal rate of convergence for both parameter estimation error and the excess mis-clustering error, in a wide range of regimes. Moreover, we generalize our approach to tackle the problem of transfer learning for GMMs, where similar theoretical results are derived. Additionally, iterative unsupervised multi-task and transfer learning methods may suffer from an initialization alignment problem, and two alignment algorithms are proposed to resolve the issue. Finally, we demonstrate the effectiveness of our methods through simulations and real data examples. To the best of our knowledge, this is the first work studying multi-task and transfer learning on GMMs with theoretical guarantees.
Authors: Musa Nuri Ihtiyar, Arzucan Ozgur
Abstract: Language models, especially transformer-based ones, have achieved colossal success in NLP. To be precise, studies like BERT for NLU and works like GPT-3 for NLG are very important. If we consider DNA sequences as a text written with an alphabet of four letters representing the nucleotides, they are similar in structure to natural languages. This similarity has led to the development of discriminative language models such as DNABert in the field of DNA-related bioinformatics. To our knowledge, however, the generative side of the coin is still largely unexplored. Therefore, we have focused on the development of an autoregressive generative language model such as GPT-3 for DNA sequences. Since working with whole DNA sequences is challenging without extensive computational resources, we decided to conduct our study on a smaller scale and focus on nucleotide sequences of human genes rather than the whole DNA. This decision has not changed the structure of the problem, as both DNA and genes can be considered as 1D sequences consisting of four different nucleotides without losing much information and without oversimplification. Firstly, we systematically studied an almost entirely unexplored problem and observed that RNNs perform best, while simple techniques such as N-grams are also promising. Another beneficial point was learning how to work with generative models on languages we do not understand, unlike natural languages. The importance of using real-world tasks beyond classical metrics such as perplexity was noted. In addition, we examined whether the data-hungry nature of these models can be altered by selecting a language with minimal vocabulary size, four due to four different types of nucleotides. The reason for reviewing this was that choosing such a language might make the problem easier. However, in this study, we found that this did not change the amount of data required very much.
Authors: Penglin Cai, Chi Zhang, Yuhui Fu, Haoqi Yuan, Zongqing Lu
Abstract: We study building embodied agents for open-ended creative tasks. While existing methods build instruction-following agents that can perform diverse open-ended tasks, none of them demonstrates creativity -- the ability to give novel and diverse solutions implicit in the language instructions. This limitation comes from their inability to convert abstract language instructions into concrete goals and perform long-horizon planning for such complicated goals. Given the observation that humans perform creative tasks with imagination, we propose a class of solutions, where the controller is enhanced with an imaginator generating detailed imaginations of task outcomes conditioned on language instructions. We introduce several approaches to implementing the components of creative agents. We implement the imaginator with either a large language model for textual imagination or a diffusion model for visual imagination. The controller can either be a behavior-cloning policy or a pre-trained foundation model generating executable codes in the environment. We benchmark creative tasks with the challenging open-world game Minecraft, where the agents create diverse buildings given free-form language instructions. We propose novel evaluation metrics for open-ended creative tasks utilizing GPT-4V, which holds many advantages over existing metrics. We perform a detailed experimental analysis of creative agents, showing that creative agents are the first AI agents accomplishing diverse building creation in the survival mode of Minecraft. Our benchmark and models are open-source for future research on creative agents (https://github.com/PKU-RL/Creative-Agents).
Authors: Debjyoti Saha Roy, Byron C. Wallace, Javed A. Aslam
Abstract: State-of-the-art Extreme Multi-Label Text Classification models rely on multi-label attention to focus on key tokens in input text, but learning good attention weights is challenging. We introduce PLANT - Pretrained and Leveraged Attention - a plug-and-play strategy for initializing attention. PLANT works by planting label-specific attention using a pretrained Learning-to-Rank model guided by mutual information gain. This architecture-agnostic approach integrates seamlessly with large language model backbones such as Mistral-7B, LLaMA3-8B, DeepSeek-V3, and Phi-3. PLANT outperforms state-of-the-art methods across tasks including ICD coding, legal topic classification, and content recommendation. Gains are especially pronounced in few-shot settings, with substantial improvements on rare labels. Ablation studies confirm that attention initialization is a key driver of these gains. For code and trained models, see https://github.com/debjyotiSRoy/xcube/tree/plant
Authors: Zhengmiao Wang, Zhi-Wei Liu, Ming Chi, Xiaoling Wang, Housheng Su, Lintao Ye
Abstract: This paper addresses an online convex optimization problem where the cost function at each step depends on a history of past decisions (i.e., memory), and the decision maker has access to limited predictions of future cost values within a finite window. The goal is to design an algorithm that minimizes the dynamic regret against the optimal sequence of decisions in hindsight. To this end, we propose a novel predictive algorithm and establish strong theoretical guarantees for its performance. We show that the algorithm's dynamic regret decays exponentially with the length of the prediction window. Our algorithm comprises two general subroutines of independent interest. The first subroutine solves online convex optimization with memory and bandit feedback, achieving a $\sqrt{TV_T}$-dynamic regret, where $V_T$ measures the variation of the optimal decision sequence. The second is a zeroth-order method that attains a linear convergence rate for general convex optimization, matching the best achievable rate of first-order methods. The key to our algorithm is a novel truncated Gaussian smoothing technique when querying the decision points to obtain the predictions. We validate our theoretical results with numerical experiments.
Authors: Xiaoya Lu, Dongrui Liu, Yi Yu, Luxin Xu, Jing Shao
Abstract: Despite the rapid development of safety alignment techniques for LLMs, defending against multi-turn jailbreaks is still a challenging task. In this paper, we conduct a comprehensive comparison, revealing that some existing defense methods can improve the robustness of LLMs against multi-turn jailbreaks but compromise usability, i.e., reducing general capabilities or causing the over-refusal problem. From the perspective of mechanism interpretability of LLMs, we discover that these methods fail to establish a boundary that exactly distinguishes safe and harmful feature representations. Therefore, boundary-safe representations close to harmful representations are inevitably disrupted, leading to a decline in usability. To address this issue, we propose X-Boundary to push harmful representations away from boundary-safe representations and obtain an exact distinction boundary. In this way, harmful representations can be precisely erased without disrupting safe ones. Experimental results show that X-Boundary achieves state-of-the-art defense performance against multi-turn jailbreaks, while reducing the over-refusal rate by about 20% and maintaining nearly complete general capability. Furthermore, we theoretically prove and empirically verify that X-Boundary can accelerate the convergence process during training. Please see our code at: https://github.com/AI45Lab/X-Boundary.
Authors: Anindya Bhattacharjee, Kaidul Islam, Kafi Anan, Ashir Intesher, Abrar Assaeem Fuad, Utsab Saha, Hafiz Imtiaz
Abstract: The spread of deepfakes poses significant security concerns, demanding reliable detection methods. However, diverse generation techniques and class imbalance in datasets create challenges. We propose CAE-Net, a Convolution- and Attention-based weighted Ensemble network combining spatial and frequency-domain features for effective deepfake detection. The architecture integrates EfficientNet, Data-Efficient Image Transformer (DeiT), and ConvNeXt with wavelet features to learn complementary representations. We evaluated CAE-Net on the diverse IEEE Signal Processing Cup 2025 (DF-Wild Cup) dataset, which has a 5:1 fake-to-real class imbalance. To address this, we introduce a multistage disjoint-subset training strategy, sequentially training the model on non-overlapping subsets of the fake class while retaining knowledge across stages. Our approach achieved $94.46\%$ accuracy and a $97.60\%$ AUC, outperforming conventional class-balancing methods. Visualizations confirm the network focuses on meaningful facial regions, and our ensemble design demonstrates robustness against adversarial attacks, positioning CAE-Net as a dependable and generalized deepfake detection framework.
Authors: Aditi De, NeuroBits Labs
Abstract: Zero-Input AI (ZIA) introduces a novel framework for human-computer interaction by enabling proactive intent prediction without explicit user commands. It integrates gaze tracking, bio-signals (EEG, heart rate), and contextual data (time, location, usage history) into a multi-modal model for real-time inference, targeting <100 ms latency. The proposed architecture employs a transformer-based model with cross-modal attention, variational Bayesian inference for uncertainty estimation, and reinforcement learning for adaptive optimization. To support deployment on edge devices (CPUs, TPUs, NPUs), ZIA utilizes quantization, weight pruning, and linear attention to reduce complexity from quadratic to linear with sequence length. Theoretical analysis establishes an information-theoretic bound on prediction error and demonstrates how multi-modal fusion improves accuracy over single-modal approaches. Expected performance suggests 85-90% accuracy with EEG integration and 60-100 ms inference latency. ZIA provides a scalable, privacy-preserving framework for accessibility, healthcare, and consumer applications, advancing AI toward anticipatory intelligence.
Authors: Yanmeng Wang, Wenkai Ji, Jian Zhou, Fu Xiao, Tsung-Hui Chang
Abstract: Federated learning (FL) has emerged as a promising distributed learning paradigm for training deep neural networks (DNNs) at the wireless edge, but its performance can be severely hindered by unreliable wireless transmission and inherent data heterogeneity among clients. Existing solutions primarily address these challenges by incorporating wireless resource optimization strategies, often focusing on uplink resource allocation across clients under the assumption of homogeneous client-server network standards. However, these approaches overlooked the fact that mobile clients may connect to the server via diverse network standards (e.g., 4G, 5G, Wi-Fi) with customized configurations, limiting the flexibility of server-side modifications and restricting applicability in real-world commercial networks. This paper presents a novel theoretical analysis about how transmission failures in unreliable networks distort the effective label distributions of local samples, causing deviations from the global data distribution and introducing convergence bias in FL. Our analysis reveals that a carefully designed client selection strategy can mitigate biases induced by network unreliability and data heterogeneity. Motivated by this insight, we propose FedCote, a client selection approach that optimizes client selection probabilities without relying on wireless resource scheduling. Experimental results demonstrate the robustness of FedCote in DNN-based classification tasks under unreliable networks with frequent transmission failures.
Authors: Kamyar Barakati, Yu Liu, Utkarsh Pratiush, Boris N. Slautin, Sergei V. Kalinin
Abstract: Imaging and hyperspectral data analysis is central to progress across biology, medicine, chemistry, and physics. The core challenge lies in converting high-resolution or high-dimensional datasets into interpretable representations that enable insight into the underlying physical or chemical properties of a system. Traditional analysis relies on expert-designed, multistep workflows, such as denoising, feature extraction, clustering, dimensionality reduction, and physics-based deconvolution, or on machine learning (ML) methods that accelerate individual steps. Both approaches, however, typically demand significant human intervention, including hyperparameter tuning and data labeling. Achieving the next level of autonomy in scientific imaging requires designing effective reward-based workflows that guide algorithms toward best data representation for human or automated decision-making. Here, we discuss recent advances in reward-based workflows for image analysis, which capture key elements of human reasoning and exhibit strong transferability across various tasks. We highlight how reward-driven approaches enable a shift from supervised black-box models toward explainable, unsupervised optimization on the examples of Scanning Probe and Electron Microscopies. Such reward-based frameworks are promising for a broad range of applications, including classification, regression, structure-property mapping, and general hyperspectral data processing.
Authors: Kerem Zaman, Shashank Srivastava
Abstract: Large Language Models (LLMs) offer natural language explanations as an alternative to feature attribution methods for model interpretability. However, despite their plausibility, they may not reflect the model's true reasoning faithfully. While several faithfulness metrics have been proposed, they are often evaluated in isolation, making principled comparisons between them difficult. We present Causal Diagnosticity, a testbed framework for evaluating faithfulness metrics for natural language explanations. We use the concept of diagnosticity, and employ model-editing methods to generate faithful-unfaithful explanation pairs. Our benchmark includes four tasks: fact-checking, analogy, object counting, and multi-hop reasoning. We evaluate prominent faithfulness metrics, including post-hoc explanation and chain-of-thought methods. Diagnostic performance varies across tasks and models, with Filler Tokens performing best overall. Additionally, continuous metrics are generally more diagnostic than binary ones but can be sensitive to noise and model choice. Our results highlight the need for more robust faithfulness metrics.
Authors: Qi Wu, Yingguang Yang, hao liu, Hao Peng, Buyun He, Yutong Xia, Yong Liao
Abstract: Social bot detection is crucial for mitigating misinformation, online manipulation, and coordinated inauthentic behavior. While existing neural network-based detectors perform well on benchmarks, they struggle with generalization due to distribution shifts across datasets and frequently produce overconfident predictions for out-of-distribution accounts beyond the training data. To address this, we introduce a novel Uncertainty Estimation for Social Bot Detection (UESBD) framework, which quantifies the predictive uncertainty of detectors beyond mere classification. For this task, we propose Robust Multi-modal Neural Processes (RMNP), which aims to enhance the robustness of multi-modal neural processes to modality inconsistencies caused by social bot camouflage. RMNP first learns unimodal representations through modality-specific encoders. Then, unimodal attentive neural processes are employed to encode the Gaussian distribution of unimodal latent variables. Furthermore, to avoid social bots stealing human features to camouflage themselves thus causing certain modalities to provide conflictive information, we introduce an evidential gating network to explicitly model the reliability of modalities. The joint latent distribution is learned through the generalized product of experts, which takes the reliability of each modality into consideration during fusion. The final prediction is obtained through Monte Carlo sampling of the joint latent distribution followed by a decoder. Experiments on three real-world benchmarks show the effectiveness of RMNP in classification and uncertainty estimation, as well as its robustness to modality conflicts.
Authors: Thomas Bartz-Beielstein
Abstract: The desirability-function approach is a widely adopted method for optimizing multiple-response processes. Kuhn (2016) implemented the packages desirability and desirability2 in the statistical programming language R, but no comparable packages exists for Python. The goal of this article is to provide an introduction to the desirability function approach using the Python package spotdesirability, which is available as part of the sequential parameter optimization framework. After a brief introduction to the desirability function approach, three examples are given that demonstrate how to use the desirability functions for (i) classical optimization, (ii) surrogate-model based optimization, and (iii) hyperparameter tuning. An extended Morris-Mitchell criterion, which allows the computation of the search-space coverage, is proposed and used in a fourth example to handle the exploration-exploitation trade-off in optimization. Finally, infill-diagnostic plots are introduced as a tool to visualize the locations of the infill points with respect to already existing points.
Authors: Cong Qi, Hanzhang Fang, Tianxing Hu, Siqi Jiang, Wei Zhi
Abstract: Single-cell RNA sequencing (scRNA-seq) enables high-resolution analysis of cellular heterogeneity, but its complexity, which is marked by high dimensionality, sparsity, and batch effects, which poses major computational challenges. Transformer-based models have made significant advances in this domain but are often limited by their quadratic complexity and suboptimal handling of long-range dependencies. In this work, we introduce GeneMamba, a scalable and efficient foundation model for single-cell transcriptomics built on state space modeling. Leveraging the Bi-Mamba architecture, GeneMamba captures bidirectional gene context with linear-time complexity, offering substantial computational gains over transformer baselines. The model is pretrained on nearly 30 million cells and incorporates biologically informed objectives, including pathway-aware contrastive loss and rank-based gene encoding. We evaluate GeneMamba across diverse tasks, including multi-batch integration, cell type annotation, and gene-gene correlation, demonstrating strong performance, interpretability, and robustness. These results position GeneMamba as a practical and powerful alternative to transformer-based methods, advancing the development of biologically grounded, scalable tools for large-scale single-cell data analysis.
Authors: Cong Qi, Hanzhang Fang, Siqi jiang, Tianxing Hu, Zhi Wei
Abstract: Understanding the binding specificity between T-cell receptors (TCRs) and peptide-major histocompatibility complexes (pMHCs) is central to immunotherapy and vaccine development. However, current predictive models struggle with generalization, especially in data-scarce settings and when faced with novel epitopes. We present LANTERN (Large lAnguage model-powered TCR-Enhanced Recognition Network), a deep learning framework that combines large-scale protein language models with chemical representations of peptides. By encoding TCR \b{eta}-chain sequences using ESM-1b and transforming peptide sequences into SMILES strings processed by MolFormer, LANTERN captures rich biological and chemical features critical for TCR-peptide recognition. Through extensive benchmarking against existing models such as ChemBERTa, TITAN, and NetTCR, LANTERN demonstrates superior performance, particularly in zero-shot and few-shot learning scenarios. Our model also benefits from a robust negative sampling strategy and shows significant clustering improvements via embedding analysis. These results highlight the potential of LANTERN to advance TCR-pMHC binding prediction and support the development of personalized immunotherapies.
Authors: Yiru Jiao, Simeon C. Calvert, Sander van Cranenburgh, Hans van Lint
Abstract: Accurately and proactively alerting drivers or automated systems to emerging collisions is crucial for road safety, particularly in highly interactive and complex urban environments. Existing methods either require labour-intensive annotation of sparse risk, struggle to consider varying contextual factors, or are tailored to limited scenarios. Here we present the Generalised Surrogate Safety Measure (GSSM), a data-driven approach that learns collision risk from naturalistic driving without the need for crash or risk labels. Trained over multiple datasets and evaluated on 2,591 real-world crashes and near-crashes, a basic GSSM using only instantaneous motion kinematics achieves an area under the precision-recall curve of 0.9, and secures a median time advance of 2.6 seconds to prevent potential collisions. Incorporating additional interaction patterns and contextual factors provides further performance gains. Across interaction scenarios such as rear-end, merging, and turning, GSSM consistently outperforms existing baselines in accuracy and timeliness. These results establish GSSM as a scalable, context-aware, and generalisable foundation to identify risky interactions before they become unavoidable, supporting proactive safety in autonomous driving systems and traffic incident management. Code and experiment data are openly accessible at https://github.com/Yiru-Jiao/GSSM.
Authors: Xiaomeng Xu, Yifan Hou, Chendong Xin, Zeyi Liu, Shuran Song
Abstract: We address key challenges in Dataset Aggregation (DAgger) for real-world contact-rich manipulation: how to collect informative human correction data and how to effectively update policies with this new data. We introduce Compliant Residual DAgger (CR-DAgger), which contains two novel components: 1) a Compliant Intervention Interface that leverages compliance control, allowing humans to provide gentle, accurate delta action corrections without interrupting the ongoing robot policy execution; and 2) a Compliant Residual Policy formulation that learns from human corrections while incorporating force feedback and force control. Our system significantly enhances performance on precise contact-rich manipulation tasks using minimal correction data, improving base policy success rates by 64% on four challenging tasks (book flipping, belt assembly, cable routing, and gear insertion) while outperforming both retraining-from-scratch and finetuning approaches. Through extensive real-world experiments, we provide practical guidance for implementing effective DAgger in real-world robot learning tasks. Result videos are available at: https://compliant-residual-dagger.github.io
Authors: Murray Cutforth, Shahab Mirjalili
Abstract: We present a systematic investigation of convolutional autoencoders for the reduced-order representation of three-dimensional interfacial multiphase flows. Focusing on the reconstruction of phase indicators, we examine how the choice of interface representation, including sharp, diffuse, and level-set formulations, impacts reconstruction accuracy across a range of interface complexities. Training and validation are performed using both synthetic datasets with controlled geometric complexity and high-fidelity simulations of multiphase homogeneous isotropic turbulence. We show that the interface representation plays a critical role in autoencoder performance. Excessively sharp interfaces lead to the loss of small-scale features, while overly diffuse interfaces degrade overall accuracy. Across all datasets and metrics considered, a moderately diffuse interface provides the best balance between preserving fine-scale structures and achieving accurate reconstructions. These findings elucidate key limitations and best practices for dimensionality reduction of multiphase flows using autoencoders. By clarifying how interface representations interact with the inductive biases of convolutional neural networks, this work lays the foundation for decoupling the training of autoencoders for accurate state compression from the training of surrogate models for temporal forecasting or input-output prediction in latent space.
Authors: Yutong Wu, Di Huang, Ruosi Wan, Yue Peng, Shijie Shang, Chenrui Cao, Lei Qi, Rui Zhang, Zidong Du, Jie Yan, Xing Hu
Abstract: Autoformalization aims to translate natural-language mathematical statements into a formal language. While LLMs have accelerated progress in this area, existing methods still suffer from low accuracy. We identify two key abilities for effective autoformalization: comprehensive mastery of formal-language domain knowledge, and reasoning capability of natural language problem understanding and informal-formal alignment. Without the former, a model cannot identify the correct formal objects; without the latter, it struggles to interpret real-world contexts and map them precisely into formal expressions. To address these gaps, we introduce ThinkingF, a data synthesis and training pipeline that improves both abilities. First, we construct two datasets: one by distilling and selecting large-scale examples rich in formal knowledge, and another by generating informal-to-formal reasoning trajectories guided by expert-designed templates. We then apply SFT and RLVR with these datasets to further fuse and refine the two abilities. The resulting 7B and 32B models exhibit both comprehensive formal knowledge and strong informal-to-formal reasoning. Notably, StepFun-Formalizer-32B achieves SOTA BEq@1 scores of 40.5% on FormalMATH-Lite and 26.7% on ProverBench, surpassing all prior general-purpose and specialized models.
Authors: Kabir Khan, Priya Sharma, Arjun Mehta, Neha Gupta, Ravi Narayanan
Abstract: Large Language Models (LLMs) suffer from a critical limitation: their knowledge is static and quickly becomes outdated. Retraining these massive models is computationally prohibitive, while existing knowledge editing techniques can be slow and may introduce unforeseen side effects. To address this, we propose DySK-Attn, a novel framework that enables LLMs to efficiently integrate real-time knowledge from a dynamic external source. Our approach synergizes an LLM with a dynamic Knowledge Graph (KG) that can be updated instantaneously. The core of our framework is a sparse knowledge attention mechanism, which allows the LLM to perform a coarse-to-fine grained search, efficiently identifying and focusing on a small, highly relevant subset of facts from the vast KG. This mechanism avoids the high computational cost of dense attention over the entire knowledge base and mitigates noise from irrelevant information. We demonstrate through extensive experiments on time-sensitive question-answering tasks that DySK-Attn significantly outperforms strong baselines, including standard Retrieval-Augmented Generation (RAG) and model editing techniques, in both factual accuracy for updated knowledge and computational efficiency. Our framework offers a scalable and effective solution for building LLMs that can stay current with the ever-changing world.
Authors: Stefan Szeider
Abstract: Translating natural language into formal constraint models requires expertise in the problem domain and modeling frameworks. To investigate whether constraint modeling benefits from agentic workflows, we introduce CP-Agent, a Python coding agent using the ReAct framework with a persistent IPython kernel. Domain knowledge is provided through a project prompt of under 50 lines. The agent iteratively executes code, observes the solver's feedback, and refines models based on the execution results. We evaluate CP-Agent on CP-Bench's 101 constraint programming problems. We clarified the benchmark to address systematic ambiguities in problem specifications and errors in ground-truth models. On the clarified benchmark, CP-Agent solves all 101 problems. Ablation studies indicate that minimal guidance outperforms detailed procedural scaffolding, and that explicit task management tools have mixed effects on focused modeling tasks.
Authors: Sergio Hernandez, Christophe Peucheret, Francesco Da Ros, Darko Zibar
Abstract: Directly modulated lasers (DMLs) are an attractive technology for short-reach intensity modulation and direct detection communication systems. However, their complex nonlinear dynamics make the modeling and optimization of DML-based systems challenging. In this paper, we study the end-to-end optimization of DML-based systems based on a data-driven surrogate model trained on experimental data. The end-to-end optimization includes the pulse shaping and equalizer filters, the bias current and the modulation radio-frequency (RF) power applied to the laser. The performance of the end-to-end optimization scheme is tested on the experimental setup and compared to 4 different benchmark schemes based on linear and nonlinear receiver-side equalization. The results show that the proposed end-to-end scheme is able to deliver better performance throughout the studied symbol rates and transmission distances while employing lower modulation RF power, fewer filter taps and utilizing a smaller signal bandwidth.
Authors: Liyang Chen, Hongkai Chen, Yujun Cai, Sifan Li, Qingwen Ye, Yiwei Wang
Abstract: Video-to-Audio generation has made remarkable strides in automatically synthesizing sound for video. However, existing evaluation metrics, which focus on semantic and temporal alignment, overlook a critical failure mode: models often generate acoustic events, particularly speech and music, that have no corresponding visual source. We term this phenomenon Insertion Hallucination and identify it as a systemic risk driven by dataset biases, such as the prevalence of off-screen sounds, that remains completely undetected by current metrics. To address this challenge, we first develop a systematic evaluation framework that employs a majority-voting ensemble of multiple audio event detectors. We also introduce two novel metrics to quantify the prevalence and severity of this issue: IH@vid (the fraction of videos with hallucinations) and IH@dur (the fraction of hallucinated duration). Building on this, we introduce HALCON to mitigate IH. HALCON follows a three-stage procedure: it first generates initial audio to expose hallucinated segments, then identifies and masks the corresponding unreliable video features, and finally regenerates the audio using the corrected conditioning. Experiments on several mainstream V2A benchmarks first reveal that state-of-the-art models suffer from severe IH. In contrast, our HALCON method reduces both the prevalence and duration of hallucinations by over 50\% on average, without degrading, and in some cases even improving, conventional metrics for audio quality and temporal synchronization. Our work is the first to formally define, systematically measure, and effectively mitigate Insertion Hallucination, paving the way for more reliable and faithful V2A models.
Authors: Songyuan Li, Teng Wang, Jinrong Tang, Ruiqi Liu, Haoyu Li, Yuyao Lu, Feng Xu, Bin Gao, Can Xie, Xiangwei Zhu
Abstract: Fully analogue neural computation requires hardware that can implement both linear and nonlinear transformations without digital assistance. While analogue in-memory computing efficiently realizes matrix-vector multiplication, the absence of learnable analogue nonlinearities remains a central bottleneck. Here we introduce KANalogue, a fully analogue realization of Kolmogorov-Arnold Networks (KANs) that instantiates univariate basis functions directly using negative-differential-resistance (NDR) devices. By mapping the intrinsic current-voltage characteristics of NDR devices to learnable coordinate-wise nonlinear functions, KANalogue embeds function approximation into device physics while preserving a fully analogue signal path. Using cold-metal tunnel diodes as a representative platform, we construct diverse nonlinear bases and combine them through crossbar-based analogue summation. Experiments on MNIST, FashionMNIST, and CIFAR-10 demonstrate that KANalogue achieves competitive accuracy with substantially fewer parameters and higher crossbar node efficiency than analogue MLPs, while approaching the performance of digital KANs under strict hardware constraints. The framework is not limited to a specific device technology and naturally generalizes to a broad class of NDR devices. These results establish a device-grounded route toward scalable, energy-efficient, fully analogue neural networks.
Authors: Jian Zhu, Xin Zou, Jun Sun, Cheng Luo, Lei Liu, Lingfang Zeng, Ning Zhang, Bian Wu, Chang Tang, Lirong Dai
Abstract: In recent years, the advancement of Graph Neural Networks (GNNs) has significantly propelled progress in Multi-View Clustering (MVC). However, existing methods face the problem of coarse-grained graph fusion. Specifically, current approaches typically generate a separate graph structure for each view and then perform weighted fusion of graph structures at the view level, which is a relatively rough strategy. To address this limitation, we present a novel Mixture of Ego-Graphs Contrastive Representation Learning (MoEGCL). It mainly consists of two modules. In particular, we propose an innovative Mixture of Ego-Graphs Fusion (MoEGF), which constructs ego graphs and utilizes a Mixture-of-Experts network to implement fine-grained fusion of ego graphs at the sample level, rather than the conventional view-level fusion. Additionally, we present the Ego Graph Contrastive Learning (EGCL) module to align the fused representation with the view-specific representation. The EGCL module enhances the representation similarity of samples from the same cluster, not merely from the same sample, further boosting fine-grained graph representation. Extensive experiments demonstrate that MoEGCL achieves state-of-the-art results in deep multi-view clustering tasks. The source code is publicly available at https://github.com/HackerHyper/MoEGCL.
Authors: Daisuke Yasui, Toshitaka Matsuki, Hiroshi Sato
Abstract: Convolutional Neural Networks (CNNs) pre-trained on large-scale datasets such as ImageNet are widely used as feature extractors to construct high-accuracy classification models from scarce data for specific tasks. In such scenarios, fine-tuning the pre-trained CNN is difficult due to data scarcity, necessitating the use of fixed weights. However, when the weights are kept fixed, many filters that do not contribute to the target task remain in the model, leading to unnecessary redundancy and reduced efficiency. Therefore, effective methods are needed to reduce model size by pruning filters that are unnecessary for inference. To address this, approaches utilizing Layer-wise Relevance Propagation (LRP) have been proposed. LRP quantifies the contribution of each filter to the inference result, enabling the pruning of filters with low relevance. However, existing LRP-based pruning methods have been observed to cause cascading accuracy degradation. In this study, we propose an LRP-based dynamic pruning method that suppresses this cascading accuracy degradation and compresses the pre-trained model while preserving task-specific performance in a small-data environment. We demonstrate that the proposed method effectively mitigates the cascading accuracy degradation and achieves higher classification accuracy compared to existing LRP-based pruning methods.
Authors: Timur Mamedov, Anton Konushin, Vadim Konushin
Abstract: Generalizable person re-identification (Re-ID) aims to recognize individuals across unseen cameras and environments. While existing methods rely heavily on limited labeled multi-camera data, we propose DynaMix, a novel method that effectively combines manually labeled multi-camera and large-scale pseudo-labeled single-camera data. Unlike prior works, DynaMix dynamically adapts to the structure and noise of the training data through three core components: (1) a Relabeling Module that refines pseudo-labels of single-camera identities on-the-fly; (2) an Efficient Centroids Module that maintains robust identity representations under a large identity space; and (3) a Data Sampling Module that carefully composes mixed data mini-batches to balance learning complexity and intra-batch diversity. All components are specifically designed to operate efficiently at scale, enabling effective training on millions of images and hundreds of thousands of identities. Extensive experiments demonstrate that DynaMix consistently outperforms state-of-the-art methods in generalizable person Re-ID.
Authors: Nifei Lin, Heng Luo, L. Jeff Hong
Abstract: In this work, we study contextual strongly convex simulation optimization and adopt an "optimize then predict" (OTP) approach for real-time decision making. In the offline stage, simulation optimization is conducted across a set of covariates to approximate the optimal-solution function; in the online stage, decisions are obtained by evaluating this approximation at the observed covariate. The central theoretical challenge is to understand how the inexactness of solutions generated by simulation-optimization algorithms affects the optimality gap, which is overlooked in existing studies. To address this, we develop a unified analysis framework that explicitly accounts for both solution bias and variance. Using Polyak-Ruppert averaging SGD as an illustrative simulation-optimization algorithm, we analyze the optimality gap of OTP under four representative smoothing techniques: $k$ nearest neighbor, kernel smoothing, linear regression, and kernel ridge regression. We establish convergence rates, derive the optimal allocation of the computational budget $\Gamma$ between the number of design covariates and the per-covariate simulation effort, and demonstrate the convergence rate can approximately achieve $\Gamma^{-1}$ under appropriate smoothing technique and sample-allocation rule. Finally, through a numerical study, we validate the theoretical findings and demonstrate the effectiveness and practical value of the proposed approach.
Authors: Mark Sellke, Steven Yin
Abstract: The property of learning-curve monotonicity, highlighted in a recent series of work by Loog, Mey and Viering, describes algorithms which only improve in average performance given more data, for any underlying data distribution within a given family. We establish the first nontrivial monotonicity guarantees for the maximum likelihood estimator in a variety of well-specified parametric settings. For sequential prediction with log loss, we show monotonicity (in fact complete monotonicity) of the forward KL divergence for Gaussian vectors with unknown covariance and either known or unknown mean, as well as for Gamma variables with unknown scale parameter. The Gaussian setting was explicitly highlighted as open in the aforementioned works, even in dimension 1. Finally we observe that for reverse KL divergence, a folklore trick yields monotonicity for very general exponential families. All results in this paper were derived by variants of GPT-5.2 Pro. Humans did not provide any proof strategies or intermediate arguments, but only prompted the model to continue developing additional results, and verified and transcribed its proofs.
Authors: Hongzhe Bi, Hengkai Tan, Shenghao Xie, Zeyuan Wang, Shuhe Huang, Haitian Liu, Ruowen Zhao, Yao Feng, Chendong Xiang, Yinze Rong, Hongyan Zhao, Hanyu Liu, Zhizhong Su, Lei Ma, Hang Su, Jun Zhu
Abstract: While a general embodied agent must function as a unified system, current methods are built on isolated models for understanding, world modeling, and control. This fragmentation prevents unifying multimodal generative capabilities and hinders learning from large-scale, heterogeneous data. In this paper, we propose Motus, a unified latent action world model that leverages existing general pretrained models and rich, sharable motion information. Motus introduces a Mixture-of-Transformer (MoT) architecture to integrate three experts (i.e., understanding, video generation, and action) and adopts a UniDiffuser-style scheduler to enable flexible switching between different modeling modes (i.e., world models, vision-language-action models, inverse dynamics models, video generation models, and video-action joint prediction models). Motus further leverages the optical flow to learn latent actions and adopts a recipe with three-phase training pipeline and six-layer data pyramid, thereby extracting pixel-level "delta action" and enabling large-scale action pretraining. Experiments show that Motus achieves superior performance against state-of-the-art methods in both simulation (a +15% improvement over X-VLA and a +45% improvement over Pi0.5) and real-world scenarios(improved by +11~48%), demonstrating unified modeling of all functionalities and priors significantly benefits downstream robotic tasks.
Authors: Kei Saito
Abstract: Current AI systems exhibit a fundamental limitation: they resolve ambiguity prematurely. This premature semantic collapse--collapsing multiple valid interpretations into single outputs--stems from classical identity assumptions in neural architectures. We propose Non-Resolution Reasoning (NRR), treating ambiguity retention as a valid reasoning mode. NRR introduces three principles: (1) Non-Identity ($A \neq A$)--the same symbol refers to different entities across contexts; (2) Approximate Identity ($A \approx A$)--entities share partial overlap without being identical; (3) Non-Resolution--conflicting interpretations coexist without forced convergence. We formalize these through Multi-Vector Embeddings, Non-Collapsing Attention, and Contextual Identity Tracking (CIT). Functional verification via Turn 1 Entropy measurement shows NRR-lite maintains high entropy ($H = 0.63$) at ambiguous turns while standard architectures collapse early ($H = 0.10$), demonstrating that NRR preserves interpretive flexibility until context arrives. The question is not whether AI should resolve ambiguity, but when, how, and under whose control.
Authors: Qihao Liu, Luoxin Ye, Wufei Ma, Yu-Cheng Chou, Alan Yuille
Abstract: Large language models (LLMs) with explicit reasoning capabilities excel at mathematical reasoning yet still commit process errors, such as incorrect calculations, brittle logic, and superficially plausible but invalid steps. In this paper, we introduce Generative Adversarial Reasoner, an on-policy joint training framework designed to enhance reasoning by co-evolving an LLM reasoner and an LLM-based discriminator through adversarial reinforcement learning. A compute-efficient review schedule partitions each reasoning chain into logically complete slices of comparable length, and the discriminator evaluates each slice's soundness with concise, structured justifications. Learning couples complementary signals: the LLM reasoner is rewarded for logically consistent steps that yield correct answers, while the discriminator earns rewards for correctly detecting errors or distinguishing traces in the reasoning process. This produces dense, well-calibrated, on-policy step-level rewards that supplement sparse exact-match signals, improving credit assignment, increasing sample efficiency, and enhancing overall reasoning quality of LLMs. Across various mathematical benchmarks, the method delivers consistent gains over strong baselines with standard RL post-training. Specifically, on AIME24, we improve DeepSeek-R1-Distill-Qwen-7B from 54.0 to 61.3 (+7.3) and DeepSeek-R1-Distill-Llama-8B from 43.7 to 53.7 (+10.0). The modular discriminator also enables flexible reward shaping for objectives such as teacher distillation, preference alignment, and mathematical proof-based reasoning.
Authors: Jian Yan
Abstract: This paper proposes the External Hippocampus framework, which models language model reasoning from a cognitive dynamics perspective as the flow of information energy in semantic space. Unlike traditional weight-space optimization methods, this framework constructs topological cognitive maps through dimensionality reduction projection, enabling precise navigation and intervention of energy flow at test time while avoiding substantial computational requirements and demonstrating predictable intervention patterns. The method effectively addresses the cognitive deadlock problem in multi-step reasoning for small models. Experiments on models <=7B parameters show: map-guided methods achieve 81.20% accuracy on 500 challenging problems (relative baseline +16.80%), reduce reasoning time by >= 15x, with key findings revealing that reasoning stagnation manifests as "Cognitive Vortex" and low-entropy potential wells, while temperature perturbations effectively restart energy flow. The framework requires no additional training, possesses autonomous growth capability, and provides an efficient and controllable topological-aware solution for small model reasoning.
Authors: Mykola Kuz, Ihor Lazarovych, Mykola Kozlenko, Mykola Pikuliak, Andrii Kvasniuk
Abstract: This study presents a hybrid deep learning architecture that integrates LSTM, CNN, and an Attention mechanism to enhance the classification of web content based on text. Pretrained GloVe embeddings are used to represent words as dense vectors that preserve semantic similarity. The CNN layer extracts local n-gram patterns and lexical features, while the LSTM layer models long-range dependencies and sequential structure. The integrated Attention mechanism enables the model to focus selectively on the most informative parts of the input sequence. A 5-fold cross-validation setup was used to assess the robustness and generalizability of the proposed solution. Experimental results show that the hybrid LSTM-CNN-Attention model achieved outstanding performance, with an accuracy of 0.98, precision of 0.94, recall of 0.92, and F1-score of 0.93. These results surpass the performance of baseline models based solely on CNNs, LSTMs, or transformer-based classifiers such as BERT. The combination of neural network components enabled the model to effectively capture both fine-grained text structures and broader semantic context. Furthermore, the use of GloVe embeddings provided an efficient and effective representation of textual data, making the model suitable for integration into systems with real-time or near-real-time requirements. The proposed hybrid architecture demonstrates high effectiveness in text-based web content classification, particularly in tasks requiring both syntactic feature extraction and semantic interpretation. By combining presented mechanisms, the model addresses the limitations of individual architectures and achieves improved generalization. These findings support the broader use of hybrid deep learning approaches in NLP applications, especially where complex, unstructured textual data must be processed and classified with high reliability.
Authors: Simon Welker, Bunlong Lay, Maris Hillemann, Tal Peer, Timo Gerkmann
Abstract: Diffusion-based generative models have greatly impacted the speech processing field in recent years, exhibiting high speech naturalness and spawning a new research direction. Their application in real-time communication is, however, still lagging behind due to their computation-heavy nature involving multiple calls of large DNNs. Here, we present Stream$.$FM, a frame-causal flow-based generative model with an algorithmic latency of 32 milliseconds (ms) and a total latency of 48 ms, paving the way for generative speech processing in real-time communication. We propose a buffered streaming inference scheme and an optimized DNN architecture, show how learned few-step numerical solvers can boost output quality at a fixed compute budget, explore model weight compression to find favorable points along a compute/quality tradeoff, and contribute a model variant with 24 ms total latency for the speech enhancement task. Our work looks beyond theoretical latencies, showing that high-quality streaming generative speech processing can be realized on consumer GPUs available today. Stream$.$FM can solve a variety of speech processing tasks in a streaming fashion: speech enhancement, dereverberation, codec post-filtering, bandwidth extension, STFT phase retrieval, and Mel vocoding. As we verify through comprehensive evaluations and a MUSHRA listening test, Stream$.$FM establishes a state-of-the-art for generative streaming speech restoration, exhibits only a reasonable reduction in quality compared to a non-streaming variant, and outperforms our recent work (Diffusion Buffer) on generative streaming speech enhancement while operating at a lower latency.