Authors: Jason M. Pittman, Anton Phillips Jr., Yesenia Medina-Santos, Brielle C. Stark
Abstract: Analyzing spoken discourse is a valid means of quantifying language ability in persons with aphasia. There are many ways to quantify discourse, one common way being to evaluate the informativeness of the discourse. That is, given the total number of words produced, how many of those are context-relevant and accurate. This type of analysis is called Correct Information Unit (CIU) analysis and is one of the most prevalent discourse analyses used by speech-language pathologists (SLPs). Despite this, CIU analysis in the clinic remains limited due to the manual labor needed by SLPs to code and analyze collected speech. Recent advances in machine learning (ML) seek to augment such labor by automating modeling of propositional, macrostructural, pragmatic, and multimodal dimensions of discourse. To that end, this study evaluated five ML models for reliable identification of Correct Information Units (CIUs, Nicholas & Brookshire, 1993), during a picture description task. The five supervised ML models were trained using randomly selected human-coded transcripts and accompanying words and CIUs from persons with aphasia. The baseline model training produced a high accuracy across transcripts for word vs non-word, with all models achieving near perfect performance (0.995) with high AUC range (0.914 min, 0.995 max). In contrast, CIU vs non-CIU showed a greater variability, with the k-nearest neighbor (k-NN) model the highest accuracy (0.824) and second highest AUC (0.787). These findings indicate that while the supervised ML models can distinguish word from not word, identifying CIUs is challenging.
Authors: Guilherme Grancho D. Fernandes, Marco A. Barroca, Mateus dos Santos, Rafael S. Oliveira
Abstract: This study presents a bidirectional Long Short-Term Memory (LSTM) neural network for classifying transient astronomical object light curves from the Photometric LSST Astronomical Time-series Classification Challenge (PLAsTiCC) dataset. The original fourteen object classes were reorganized into five generalized categories (S-Like, Fast, Long, Periodic, and Non-Periodic) to address class imbalance. After preprocessing with padding, temporal rescaling, and flux normalization, a bidirectional LSTM network with masking layers was trained and evaluated on a test set of 19,920 objects. The model achieved strong performance for S-Like and Periodic classes, with ROC area under the curve (AUC) values of 0.95 and 0.99, and Precision-Recall AUC values of 0.98 and 0.89, respectively. However, performance was significantly lower for Fast and Long classes (ROC AUC of 0.68 for Long class), and the model exhibited difficulty distinguishing between Periodic and Non-Periodic objects. Evaluation on partial light curve data (5, 10,and 20 days from detection) revealed substantial performance degradation, with increased misclassification toward the S-Like class. These findings indicate that class imbalance and limited temporal information are primary limitations, suggesting that class balancing strategies and preprocessing techniques focusing on detection moments could improve performance.
Authors: Shuaiyu Xie, Hanbin He, Jian Wang, Bing Li
Abstract: Root cause analysis in microservice systems typically involves two core tasks: root cause localization (RCL) and failure type identification (FTI). Despite substantial research efforts, conventional diagnostic approaches still face two key challenges. First, these methods predominantly adopt a joint learning paradigm for RCL and FTI to exploit shared information and reduce training time. However, this simplistic integration neglects the causal dependencies between tasks, thereby impeding inter-task collaboration and information transfer. Second, these existing methods primarily focus on point-to-point relationships between instances, overlooking the group nature of inter-instance influences induced by deployment configurations and load balancing. To overcome these limitations, we propose CCLH, a novel root cause analysis framework that orchestrates diagnostic tasks based on cascaded conditional learning. CCLH provides a three-level taxonomy for group influences between instances and incorporates a heterogeneous hypergraph to model these relationships, facilitating the simulation of failure propagation. Extensive experiments conducted on datasets from three microservice benchmarks demonstrate that CCLH outperforms state-of-the-art methods in both RCL and FTI.
Authors: Le Xu, Jiayu Chen
Abstract: Offline reinforcement learning (RL) is vulnerable to real-world data corruption, with even robust algorithms failing under challenging observation and mixture corruptions. We posit this failure stems from data corruption creating sharp minima in the loss landscape, leading to poor generalization. To address this, we are the first to apply Sharpness-Aware Minimization (SAM) as a general-purpose, plug-and-play optimizer for offline RL. SAM seeks flatter minima, guiding models to more robust parameter regions. We integrate SAM into strong baselines for data corruption: IQL, a top-performing offline RL algorithm in this setting, and RIQL, an algorithm designed specifically for data-corruption robustness. We evaluate them on D4RL benchmarks with both random and adversarial corruption. Our SAM-enhanced methods consistently and significantly outperform the original baselines. Visualizations of the reward surface confirm that SAM finds smoother solutions, providing strong evidence for its effectiveness in improving the robustness of offline RL agents.
Authors: Michael J. Bommarito II
Abstract: Sequence models for binary analysis are bottlenecked by byte-level tokenization: raw bytes waste precious context window capacity for transformers and other neural network architectures, and many existing text-oriented tokenizers fail on arbitrary 0x00--0xFF sequences. To address this issue, we introduce the Binary BPE tokenizer family, a set of cross-platform Byte Pair Encoding (BPE) tokenizers for executables trained on a large corpus of binaries spanning multiple platforms, architectures, and operating systems, including Linux, Windows, macOS, Android, and malware sources. We release trained tokenizers with vocabularies of 4K, 8K, 16K, 32K, and 64K tokens, enabling both systematic scaling studies and practical deployment from resource-constrained edge devices to high-throughput datacenters. These tokenizers discover interpretable patterns (ELF/PE headers, instruction sequences, cross-platform strings) while yielding multi-byte compression per token. On representative uncompressed executables (e.g., ELF/PE/Mach-O rather than compressed APKs), the Binary BPE tokenizers typically allow for roughly 2-3x more binary content per fixed-length transformer context window than raw bytes, enabling more efficient research and practical deployment for content identification, malware detection, reverse engineering, and optimization. We release the trained Binary BPE tokenizers on HuggingFace, providing a drop-in, open-source foundation for binary-focused language models and context-efficient agentic tools.
Authors: Fengming Yu, Qingyu Meng, Haiwei Pan, Kejia Zhang
Abstract: With the rapid development of deep learning, large language models have shown strong capabilities in complex reasoning tasks such as mathematical equation solving. However, their substantial computational and storage costs hinder practical deployment. This paper proposes a lightweight optimization method that integrates dynamic attention head pruning with knowledge distillation. The approach dynamically evaluates the importance of each attention head in the multi-head attention mechanism using a combination of weight norms and entropy, and prunes redundant heads in real time to reduce computational overhead. To mitigate performance degradation, knowledge distillation transfers information from the original model to the pruned student, enabling the smaller model to preserve reasoning ability. Experiments conducted on both Math23k and ASDiv-A verify the effectiveness of the proposed method. For example, on Math23k with a 30% pruning ratio, parameters are reduced by 18.7%, inference speed is improved by 27.5%, FLOPs are reduced by 19.3%, and accuracy drops only 0.7% (from 84.4% to 83.7%). These results demonstrate that the method achieves substantial efficiency gains while maintaining strong reasoning performance, providing a practical solution for efficient deployment of large language models in mathematical reasoning tasks.
Authors: Hefei Xu, Le Wu, Chen Cheng, Hao Liu
Abstract: With the rapid advancement of large language models (LLMs), aligning them with human values for safety and ethics has become a critical challenge. This problem is especially challenging when multiple, potentially conflicting human values must be considered and balanced. Although several variants of existing alignment methods (such as Reinforcement Learning from Human Feedback (RLHF) and Direct Preference Optimization (DPO)) have been proposed to address multi-value alignment, they suffer from notable limitations: 1) they are often unstable and inefficient in multi-value optimization; and 2) they fail to effectively handle value conflicts. As a result, these approaches typically struggle to achieve optimal trade-offs when aligning multiple values. To address this challenge, we propose a novel framework called Multi-Value Alignment (MVA). It mitigates alignment degradation caused by parameter interference among diverse human values by minimizing their mutual information. Furthermore, we propose a value extrapolation strategy to efficiently explore the Pareto frontier, thereby constructing a set of LLMs with diverse value preferences. Extensive experiments demonstrate that MVA consistently outperforms existing baselines in aligning LLMs with multiple human values.
Authors: Zhiwen Qiu, Ziang Liu, Wenqian Niu, Tapomayukh Bhattacharjee, Saleh Kalantari
Abstract: Modeling the cognitive and experiential factors of human navigation is central to deepening our understanding of human-environment interaction and to enabling safe social navigation and effective assistive wayfinding. Most existing methods focus on forecasting motions in fully observed scenes and often neglect human factors that capture how people feel and respond to space. To address this gap, We propose EgoCogNav, a multimodal egocentric navigation framework that predicts perceived path uncertainty as a latent state and jointly forecasts trajectories and head motion by fusing scene features with sensory cues. To facilitate research in the field, we introduce the Cognition-aware Egocentric Navigation (CEN) dataset consisting 6 hours of real-world egocentric recordings capturing diverse navigation behaviors in real-world scenarios. Experiments show that EgoCogNav learns the perceived uncertainty that highly correlates with human-like behaviors such as scanning, hesitation, and backtracking while generalizing to unseen environments.
Authors: Jie Ou, Shuaihong Jiang, Yingjun Du, Cees G. M. Snoek
Abstract: Parameter-efficient fine-tuning (PEFT) methods, such as LoRA, DoRA, and HiRA, enable lightweight adaptation of large pre-trained models via low-rank updates. However, existing PEFT approaches apply static, input-agnostic updates to all tokens, disregarding the varying importance and difficulty of different inputs. This uniform treatment can lead to overfitting on trivial content or under-adaptation on more informative regions, especially in autoregressive settings with distinct prefill and decoding dynamics. In this paper, we propose GateRA, a unified framework that introduces token-aware modulation to dynamically adjust the strength of PEFT updates. By incorporating adaptive gating into standard PEFT branches, GateRA enables selective, token-level adaptation, preserving pre-trained knowledge for well-modeled inputs while focusing capacity on challenging cases. Empirical visualizations reveal phase-sensitive behaviors, where GateRA automatically suppresses updates for redundant prefill tokens while emphasizing adaptation during decoding. To promote confident and efficient modulation, we further introduce an entropy-based regularization that encourages near-binary gating decisions. This regularization prevents diffuse update patterns and leads to interpretable, sparse adaptation without hard thresholding. Finally, we present a theoretical analysis showing that GateRA induces a soft gradient-masking effect over the PEFT path, enabling continuous and differentiable control over adaptation. Experiments on multiple commonsense reasoning benchmarks demonstrate that GateRA consistently outperforms or matches prior PEFT methods.
Authors: Chenrui Ma, Xi Xiao, Tianyang Wang, Xiao Wang, Yanning Shen
Abstract: Flow Matching has limited ability in achieving one-step generation due to its reliance on learned curved trajectories. Previous studies have attempted to address this limitation by either modifying the coupling distribution to prevent interpolant intersections or introducing consistency and mean-velocity modeling to promote straight trajectory learning. However, these approaches often suffer from discrete approximation errors, training instability, and convergence difficulties. To tackle these issues, in the present work, we propose \textbf{S}traight \textbf{V}ariational \textbf{F}low \textbf{M}atching (\textbf{S-VFM}), which integrates a variational latent code representing the ``generation overview'' into the Flow Matching framework. \textbf{S-VFM} explicitly enforces trajectory straightness, ideally producing linear generation paths. The proposed method achieves competitive performance across three challenge benchmarks and demonstrates advantages in both training and inference efficiency compared with existing methods.
Authors: Haoyan Xu, Ruizhi Qian, Zhengtao Yao, Ziyi Liu, Li Li, Yuqi Li, Yanshu Li, Wenqing Zheng, Daniele Rosa, Daniel Barcklow, Senthil Kumar, Jieyu Zhao, Yue Zhao
Abstract: Anomaly detection on attributed graphs plays an essential role in applications such as fraud detection, intrusion monitoring, and misinformation analysis. However, text-attributed graphs (TAGs), in which node information is expressed in natural language, remain underexplored, largely due to the absence of standardized benchmark datasets. In this work, we introduce TAG-AD, a comprehensive benchmark for anomaly node detection on TAGs. TAG-AD leverages large language models (LLMs) to generate realistic anomalous node texts directly in the raw text space, producing anomalies that are semantically coherent yet contextually inconsistent and thus more reflective of real-world irregularities. In addition, TAG-AD incorporates multiple other anomaly types, enabling thorough and reproducible evaluation of graph anomaly detection (GAD) methods. With these datasets, we further benchmark existing unsupervised GNN-based GAD methods as well as zero-shot LLMs for GAD. As part of our zero-shot detection setup, we propose a retrieval-augmented generation (RAG)-assisted, LLM-based zero-shot anomaly detection framework. The framework mitigates reliance on brittle, hand-crafted prompts by constructing a global anomaly knowledge base and distilling it into reusable analysis frameworks. Our experimental results reveal a clear division of strengths: LLMs are particularly effective at detecting contextual anomalies, whereas GNN-based methods remain superior for structural anomaly detection. Moreover, RAG-assisted prompting achieves performance comparable to human-designed prompts while eliminating manual prompt engineering, underscoring the practical value of our RAG-assisted zero-shot LLM anomaly detection framework.
Authors: Kang He, Boyu Chen, Yuzhe Ding, Fei Li, Chong Teng, Donghong Ji
Abstract: Multimodal Sentiment Analysis (MSA) seeks to understand human emotions by integrating textual, acoustic, and visual signals. Although multimodal fusion is designed to leverage cross-modal complementarity, real-world scenarios often exhibit modality competition: dominant modalities tend to overshadow weaker ones, leading to suboptimal performance.In this paper, we propose PaSE, a novel Prototype-aligned Calibration and Shapley-optimized Equilibrium framework, which enhances collaboration while explicitly mitigating modality competition. PaSE first applies Prototype-guided Calibration Learning (PCL) to refine unimodal representations and align them through an Entropic Optimal Transport mechanism that ensures semantic consistency. To further stabilize optimization, we introduce a Dual-Phase Optimization strategy. A prototype-gated fusion module is first used to extract shared representations, followed by Shapley-based Gradient Modulation (SGM), which adaptively adjusts gradients according to the contribution of each modality. Extensive experiments on IEMOCAP, MOSI, and MOSEI confirm that PaSE achieves the superior performance and effectively alleviates modality competition.
Authors: Yuxuan Hu, Jian Chen, Yuhao Wang, Zixuan Li, Jing Xiong, Pengyue Jia, Wei Wang, Chengming Li, Xiangyu Zhao
Abstract: Stickers are widely used in online communication to convey emotions and implicit intentions. The Sticker Response Selection (SRS) task aims to select the most contextually appropriate sticker based on the dialogue. However, existing methods typically rely on semantic matching and model emotional and intentional cues separately, which can lead to mismatches when emotions and intentions are misaligned. To address this issue, we propose Emotion and Intention Guided Multi-Modal Learning (EIGML). This framework is the first to jointly model emotion and intention, effectively reducing the bias caused by isolated modeling and significantly improving selection accuracy. Specifically, we introduce Dual-Level Contrastive Framework to perform both intra-modality and inter-modality alignment, ensuring consistent representation of emotional and intentional features within and across modalities. In addition, we design an Intention-Emotion Guided Multi-Modal Fusion module that integrates emotional and intentional information progressively through three components: Emotion-Guided Intention Knowledge Selection, Intention-Emotion Guided Attention Fusion, and Similarity-Adjusted Matching Mechanism. This design injects rich, effective information into the model and enables a deeper understanding of the dialogue, ultimately enhancing sticker selection performance. Experimental results on two public SRS datasets show that EIGML consistently outperforms state-of-the-art baselines, achieving higher accuracy and a better understanding of emotional and intentional features. Code is provided in the supplementary materials.
Authors: S\"oren Dr\'eano, Derek Molloy, Noel Murphy
Abstract: This work introduces Llamazip, a novel lossless text compression algorithm based on the predictive capabilities of the LLaMA3 language model. Llamazip achieves significant data reduction by only storing tokens that the model fails to predict, optimizing storage efficiency without compromising data integrity. Key factors affecting its performance, including quantization and context window size, are analyzed, revealing their impact on compression ratios and computational requirements. Beyond compression, Llamazip demonstrates the potential to identify whether a document was part of the training dataset of a language model. This capability addresses critical concerns about data provenance, intellectual property, and transparency in language model training.
Authors: Ke Yu, Shigeru Ishikura, Yukari Usukura, Yuki Shigoku, Teruaki Hayashi
Abstract: Synthetic tabular data, which are widely used in domains such as healthcare, enterprise operations, and customer analytics, are increasingly evaluated to ensure that they preserve both privacy and utility. While existing evaluation practices typically focus on distributional similarity (e.g., the Kullback-Leibler divergence) or predictive performance (e.g., Train-on-Synthetic-Test-on-Real (TSTR) accuracy), these approaches fail to assess semantic fidelity, that is, whether models trained on synthetic data follow reasoning patterns consistent with those trained on real data. To address this gap, we introduce the SHapley Additive exPlanations (SHAP) Distance, a novel explainability-aware metric that is defined as the cosine distance between the global SHAP attribution vectors derived from classifiers trained on real versus synthetic datasets. By analyzing datasets that span clinical health records with physiological features, enterprise invoice transactions with heterogeneous scales, and telecom churn logs with mixed categorical-numerical attributes, we demonstrate that the SHAP Distance reliably identifies semantic discrepancies that are overlooked by standard statistical and predictive measures. In particular, our results show that the SHAP Distance captures feature importance shifts and underrepresented tail effects that the Kullback-Leibler divergence and Train-on-Synthetic-Test-on-Real accuracy fail to detect. This study positions the SHAP Distance as a practical and discriminative tool for auditing the semantic fidelity of synthetic tabular data, and offers practical guidelines for integrating attribution-based evaluation into future benchmarking pipelines.
Authors: Saicharan Kolluru
Abstract: The deployment of Large Language Models (LLMs) in production environments requires efficient inference serving systems that balance throughput, latency, and resource utilization. This paper presents a comprehensive empirical evaluation of two prominent open-source LLM serving frameworks: vLLM and HuggingFace Text Generation Inference (TGI). We benchmark these systems across multiple dimensions including throughput performance, end-to-end latency, GPU memory utilization, and scalability characteristics using LLaMA-2 models ranging from 7B to 70B parameters. Our experiments reveal that vLLM achieves up to 24x higher throughput than TGI under high-concurrency workloads through its novel PagedAttention mechanism, while TGI demonstrates lower tail latencies for interactive single-user scenarios. We provide detailed performance profiles for different deployment scenarios and offer practical recommendations for system selection based on workload characteristics. Our findings indicate that the choice between these frameworks should be guided by specific use-case requirements: vLLM excels in high-throughput batch processing scenarios, while TGI is better suited for latency-sensitive interactive applications with moderate concurrency.
Authors: Aleksandar Stankovic
Abstract: Sparse GNN aggregations (CSR SpMM/SDDMM) vary widely in performance with degree skew, feature width, and GPU micro-architecture. We present AutoSAGE, an input-aware CUDA scheduler that chooses tiling and mapping per input using a lightweight estimate refined by on-device micro-probes, with a guardrail that safely falls back to vendor kernels and a persistent cache for deterministic replay. AutoSAGE covers SpMM and SDDMM and composes into a CSR attention pipeline (SDDMM -> row-softmax -> SpMM). On Reddit and OGBN-Products, it matches vendor baselines at bandwidth-bound feature widths and finds gains at small widths; on synthetic sparsity and skew stress tests it achieves up to 4.7x kernel-level speedups. We release CUDA sources, Python bindings, a reproducible harness, and replayable cache logs.
Authors: Markus D. Solbach, John K. Tsotsos
Abstract: Reinforcement Learning is a mature technology, often suggested as a potential route towards Artificial General Intelligence, with the ambitious goal of replicating the wide range of abilities found in natural and artificial intelligence, including the complexities of human cognition. While RL had shown successes in relatively constrained environments, such as the classic Atari games and specific continuous control problems, recent years have seen efforts to expand its applicability. This work investigates the potential of RL in demonstrating intelligent behaviour and its progress in addressing more complex and less structured problem domains. We present an investigation into the capacity of modern RL frameworks in addressing a seemingly straightforward 3D Same-Different visuospatial task. While initial applications of state-of-the-art methods, including PPO, behavioural cloning and imitation learning, revealed challenges in directly learning optimal strategies, the successful implementation of curriculum learning offers a promising avenue. Effective learning was achieved by strategically designing the lesson plan based on the findings of a real-world human experiment.
Authors: Zhizuo Chen, Theodore T. Allen
Abstract: Algorithms developed under stationary Markov Decision Processes (MDPs) often face challenges in non-stationary environments, and infinite-horizon formulations may not directly apply to finite-horizon tasks. To address these limitations, we introduce the Non-stationary and Varying-discounting MDP (NVMDP) framework, which naturally accommodates non-stationarity and allows discount rates to vary with time and transitions. Infinite-horizon, stationary MDPs emerge as special cases of NVMDPs for identifying an optimal policy, and finite-horizon MDPs are also subsumed within the NVMDP formulations. Moreover, NVMDPs provide a flexible mechanism to shape optimal policies, without altering the state space, action space, or the reward structure. We establish the theoretical foundations of NVMDPs, including assumptions, state- and action-value formulation and recursion, matrix representation, optimality conditions, and policy improvement under finite state and action spaces. Building on these results, we adapt dynamic programming and generalized Q-learning algorithms to NVMDPs, along with formal convergence proofs. For problems requiring function approximation, we extend the Policy Gradient Theorem and the policy improvement bound in Trust Region Policy Optimization (TRPO), offering proofs in both scalar and matrix forms. Empirical evaluations in a non-stationary gridworld environment demonstrate that NVMDP-based algorithms successfully recover optimal trajectories under multiple reward and discounting schemes, whereas original Q-learning fails. These results collectively show that NVMDPs provide a theoretically sound and practically effective framework for reinforcement learning, requiring only minor algorithmic modifications while enabling robust handling of non-stationarity and explicit optimal policy shaping.
Authors: Jianbing Dong, Jianbin Chang
Abstract: Training Large Language Models (LLMs) typically involves a two-stage pipeline at the output layer: hidden states are projected into vocabulary logits via a linear transformation (lm_head), followed by cross-entropy loss computation against target tokens. While conceptually simple, this design incurs substantial overhead. The intermediate logits tensor, with dimensions proportional to batch size, sequence length, and vocabulary size, must be fully materialized in GPU memory, even though only one target token per position is ultimately used. This leads to significant memory footprint and bandwidth comsumption, limiting scalability and slowing training throughput. In this work, we introduce a novel approach to integrates the output projection and loss prediction into a single operation. By directly computing the loss from hidden states and target tokens, our approach bypasses explicit logits materialization. This design reduces memory usage and alleviates bandwidth pressure. Experiments on LLM training demonstrate that our method achieves substantial memory savings and measurable speedups compared to the standard two-stage pipeline, enabling large batch sizes and longer sequences without sacrificing accuracy. Our work highlights the benefits of rethinking the boundary between projection and prediction, offering a practical systems optimization for efficient LLM training.
Authors: Luyang Fang, Tao Wang, Ping Ma, Xiaoming Zhai
Abstract: Automated scoring of written constructed responses typically relies on separate models per task, straining computational resources, storage, and maintenance in real-world education settings. We propose UniMoE-Guided, a knowledge-distilled multi-task Mixture-of-Experts (MoE) approach that transfers expertise from multiple task-specific large models (teachers) into a single compact, deployable model (student). The student combines (i) a shared encoder for cross-task representations, (ii) a gated MoE block that balances shared and task-specific processing, and (iii) lightweight task heads. Trained with both ground-truth labels and teacher guidance, the student matches strong task-specific models while being far more efficient to train, store, and deploy. Beyond efficiency, the MoE layer improves transfer and generalization: experts develop reusable skills that boost cross-task performance and enable rapid adaptation to new tasks with minimal additions and tuning. On nine NGSS-aligned science-reasoning tasks (seven for training/evaluation and two held out for adaptation), UniMoE-Guided attains performance comparable to per-task models while using $\sim$6$\times$ less storage than maintaining separate students, and $87\times$ less than the 20B-parameter teacher. The method offers a practical path toward scalable, reliable, and resource-efficient automated scoring for classroom and large-scale assessment systems.
Authors: Sushant Mehta
Abstract: Synthetic data has become essential for training foundation models, yet benchmark contamination threatens evaluation integrity. Although existing detection methods identify token-level overlap, they fail to detect semantic-level contamination where synthetic data conceptually resemble benchmarks without lexical overlap. This gap is critical as foundation models increasingly train on synthetic data that may implicitly encode benchmark knowledge. We propose a hierarchical contamination detection framework operating at four levels: token level, semantic level, reasoning pattern, and performance cliff detection. Through controlled experiments on MMLU, GSM8K and HumanEval, we demonstrate that semantic-level contamination evades existing methods (F1=0.17-0.49) but is effectively detected by our hierarchical approach (F1 = 0.76), with an average improvement of 26. 5\% over state-of-the-art baselines. Our framework provides practitioners with practical tools for audit pipelines and enables responsible deployment of synthetic training data.
Authors: Jiajun Ma, Yongchao Zhang, Chao Zhang, Zhao Lv, Shengbing Pei
Abstract: Graph Transformer shows remarkable potential in brain network analysis due to its ability to model graph structures and complex node relationships. Most existing methods typically model the brain as a flat network, ignoring its modular structure, and their attention mechanisms treat all brain region connections equally, ignoring distance-related node connection patterns. However, brain information processing is a hierarchical process that involves local and long-range interactions between brain regions, interactions between regions and sub-functional modules, and interactions among functional modules themselves. This hierarchical interaction mechanism enables the brain to efficiently integrate local computations and global information flow, supporting the execution of complex cognitive functions. To address this issue, we propose BrainHGT, a hierarchical Graph Transformer that simulates the brain's natural information processing from local regions to global communities. Specifically, we design a novel long-short range attention encoder that utilizes parallel pathways to handle dense local interactions and sparse long-range connections, thereby effectively alleviating the over-globalizing issue. To further capture the brain's modular architecture, we designe a prior-guided clustering module that utilizes a cross-attention mechanism to group brain regions into functional communities and leverage neuroanatomical prior to guide the clustering process, thereby improving the biological plausibility and interpretability. Experimental results indicate that our proposed method significantly improves performance of disease identification, and can reliably capture the sub-functional modules of the brain, demonstrating its interpretability.
Authors: Agnideep Aich, Sameera Hewage, Md Monzur Murshed
Abstract: Clinical and genomic models are both used to predict breast cancer outcomes, but they are often combined using simple linear rules that do not account for how their risk scores relate, especially at the extremes. Using the METABRIC breast cancer cohort, we studied whether directly modeling the joint relationship between clinical and genomic machine learning risk scores could improve risk stratification for 5-year cancer-specific mortality. We created a binary 5-year cancer-death outcome and defined two sets of predictors: a clinical set (demographic, tumor, and treatment variables) and a genomic set (gene-expression $z$-scores). We trained several supervised classifiers, such as Random Forest and XGBoost, and used 5-fold cross-validated predicted probabilities as unbiased risk scores. These scores were converted to pseudo-observations on $(0,1)^2$ to fit Gaussian, Clayton, and Gumbel copulas. Clinical models showed good discrimination (AUC 0.783), while genomic models had moderate performance (AUC 0.681). The joint distribution was best captured by a Gaussian copula (bootstrap $p=0.997$), which suggests a symmetric, moderately strong positive relationship. When we grouped patients based on this relationship, Kaplan-Meier curves showed clear differences: patients who were high-risk in both clinical and genomic scores had much poorer survival than those high-risk in only one set. These results show that copula-based fusion works in real-world cohorts and that considering dependencies between scores can better identify patient subgroups with the worst prognosis.
Authors: Ningling Ge, Sicheng Dai, Yu Zhu, Shan Yu
Abstract: Understanding brain function represents a fundamental goal in neuroscience, with critical implications for therapeutic interventions and neural engineering applications. Computational modeling provides a quantitative framework for accelerating this understanding, but faces a fundamental trade-off between computational efficiency and high-fidelity modeling. To address this limitation, we introduce a novel Energy-based Autoregressive Generation (EAG) framework that employs an energy-based transformer learning temporal dynamics in latent space through strictly proper scoring rules, enabling efficient generation with realistic population and single-neuron spiking statistics. Evaluation on synthetic Lorenz datasets and two Neural Latents Benchmark datasets (MC_Maze and Area2_bump) demonstrates that EAG achieves state-of-the-art generation quality with substantial computational efficiency improvements, particularly over diffusion-based methods. Beyond optimal performance, conditional generation applications show two capabilities: generalizing to unseen behavioral contexts and improving motor brain-computer interface decoding accuracy using synthetic neural data. These results demonstrate the effectiveness of energy-based modeling for neural population dynamics with applications in neuroscience research and neural engineering. Code is available at https://github.com/NinglingGe/Energy-based-Autoregressive-Generation-for-Neural-Population-Dynamics.
URLs: https://github.com/NinglingGe/Energy-based-Autoregressive-Generation-for-Neural-Population-Dynamics.
Authors: Leonardo Rossi, Bruno Rodrigues
Abstract: Triathlon training, which involves high-volume swimming, cycling, and running, places athletes at substantial risk for overuse injuries due to repetitive physiological stress. Current injury prediction approaches primarily rely on training load metrics, often neglecting critical factors such as sleep quality, stress, and individual lifestyle patterns that significantly influence recovery and injury susceptibility. We introduce a novel synthetic data generation framework tailored explicitly for triathlon. This framework generates physiologically plausible athlete profiles, simulates individualized training programs that incorporate periodization and load-management principles, and integrates daily-life factors such as sleep quality, stress levels, and recovery states. We evaluated machine learning models (LASSO, Random Forest, and XGBoost) showing high predictive performance (AUC up to 0.86), identifying sleep disturbances, heart rate variability, and stress as critical early indicators of injury risk. This wearable-driven approach not only enhances injury prediction accuracy but also provides a practical solution to overcoming real-world data limitations, offering a pathway toward a holistic, context-aware athlete monitoring.
Authors: Luc\'ia Schmidt-Santiago, David Rodr\'iguez-Temporal, Carlos Sevilla-Salcedo, Vanessa G\'omez-Verdejo
Abstract: Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry (MALDI-TOF MS) has become a cornerstone technology in clinical microbiology, enabling rapid and accurate microbial identification. However, the development of data-driven diagnostic models remains limited by the lack of sufficiently large, balanced, and standardized spectral datasets. This study investigates the use of deep generative models to synthesize realistic MALDI-TOF MS spectra, aiming to overcome data scarcity and support the development of robust machine learning tools in microbiology. We adapt and evaluate three generative models, Variational Autoencoders (MALDIVAEs), Generative Adversarial Networks (MALDIGANs), and Denoising Diffusion Probabilistic Model (MALDIffusion), for the conditional generation of microbial spectra guided by species labels. Generation is conditioned on species labels, and spectral fidelity and diversity are assessed using diverse metrics. Our experiments show that synthetic data generated by MALDIVAE, MALDIGAN, and MALDIffusion are statistically and diagnostically comparable to real measurements, enabling classifiers trained exclusively on synthetic samples to reach performance levels similar to those trained on real data. While all models faithfully reproduce the peak structure and variability of MALDI-TOF spectra, MALDIffusion obtains this fidelity at a substantially higher computational cost, and MALDIGAN shows competitive but slightly less stable behaviour. In contrast, MALDIVAE offers the most favorable balance between realism, stability, and efficiency. Furthermore, augmenting minority species with synthetic spectra markedly improves classification accuracy, effectively mitigating class imbalance and domain mismatch without compromising the authenticity of the generated data.
Authors: Alexander Strunk, Roland Assam
Abstract: This paper introduces Tensor Gauge Flow Models, a new class of Generative Flow Models that generalize Gauge Flow Models and Higher Gauge Flow Models by incorporating higher-order Tensor Gauge Fields into the Flow Equation. This extension allows the model to encode richer geometric and gauge-theoretic structure in the data, leading to more expressive flow dynamics. Experiments on Gaussian mixture models show that Tensor Gauge Flow Models achieve improved generative performance compared to both standard and gauge flow baselines.
Authors: Weidao Chen, Yuxiao Yang, Yueming Wang
Abstract: Major Depressive Disorder (MDD), affecting millions worldwide, exhibits complex pathophysiology manifested through disrupted brain network dynamics. Although graph neural networks that leverage neuroimaging data have shown promise in depression diagnosis, existing approaches are predominantly data-driven and operate largely as black-box models, lacking neurobiological interpretability. Here, we present NH-GCAT (Neurocircuitry-Inspired Hierarchical Graph Causal Attention Networks), a novel framework that bridges neuroscience domain knowledge with deep learning by explicitly and hierarchically modeling depression-specific mechanisms at different spatial scales. Our approach introduces three key technical contributions: (1) at the local brain regional level, we design a residual gated fusion module that integrates temporal blood oxygenation level dependent (BOLD) dynamics with functional connectivity patterns, specifically engineered to capture local depression-relevant low-frequency neural oscillations; (2) at the multi-regional circuit level, we propose a hierarchical circuit encoding scheme that aggregates regional node representations following established depression neurocircuitry organization, and (3) at the multi-circuit network level, we develop a variational latent causal attention mechanism that leverages a continuous probabilistic latent space to infer directed information flow among critical circuits, characterizing disease-altered whole-brain inter-circuit interactions. Rigorous leave-one-site-out cross-validation on the REST-meta-MDD dataset demonstrates NH-GCAT's state-of-the-art performance in depression classification, achieving a sample-size weighted-average accuracy of 73.3\% and an AUROC of 76.4\%, while simultaneously providing neurobiologically meaningful explanations.
Authors: Haoran Li, Zhe Cheng, Muhao Guo, Yang Weng, Yannan Sun, Victor Tran, John Chainaranont
Abstract: Probabilistic load forecasting is widely studied and underpins power system planning, operation, and risk-aware decision making. Deep learning forecasters have shown strong ability to capture complex temporal and contextual patterns, achieving substantial accuracy gains. However, at the scale of thousands or even hundreds of thousands of loads in large distribution feeders, a deployment dilemma emerges: training and maintaining one model per customer is computationally and storage intensive, while using a single global model ignores distributional shifts across customer types, locations, and phases. Prior work typically focuses on single-load forecasters, global models across multiple loads, or adaptive/personalized models for relatively small settings, and rarely addresses the combined challenges of heterogeneity and scalability in large feeders. We propose M2OE2-GL, a global-to-local extension of the M2OE2 probabilistic forecaster. We first pretrain a single global M2OE2 base model across all feeder loads, then apply lightweight fine-tuning to derive a compact family of group-specific forecasters. Evaluated on realistic utility data, M2OE2-GL yields substantial error reductions while remaining scalable to very large numbers of loads.
Authors: Hector E Mozo
Abstract: QML-HCS is a research-grade framework for constructing and analyzing quantum-inspired machine learning models operating under hypercausal feedback dynamics. Hypercausal refers to AI systems that leverage extended, deep, or nonlinear causal relationships (expanded causality) to reason, predict, and infer states beyond the capabilities of traditional causal models. Current machine learning and quantum-inspired systems struggle in non-stationary environments, where data distributions drift and models lack mechanisms for continuous adaptation, causal stability, and coherent state updating. QML-HCS addresses this limitation through a unified computational architecture that integrates quantum-inspired superposition principles, dynamic causal feedback, and deterministic-stochastic hybrid execution to enable adaptive behavior in changing environments. The framework implements a hypercausal processing core capable of reversible transformations, multipath causal propagation, and evaluation of alternative states under drift. Its architecture incorporates continuous feedback to preserve causal consistency and adjust model behavior without requiring full retraining. QML-HCS provides a reproducible and extensible Python interface backed by efficient computational routines, enabling experimentation in quantum-inspired learning, causal reasoning, and hybrid computation without the need for specialized hardware. A minimal simulation demonstrates how a hypercausal model adapts to a sudden shift in the input distribution while preserving internal coherence. This initial release establishes the foundational architecture for future theoretical extensions, benchmarking studies, and integration with classical and quantum simulation platforms.
Authors: Kartheek Bondugula, Santiago Mazuelas, Aritz P\'erez
Abstract: Supervised learning with large-scale data usually leads to complex optimization problems, especially for classification tasks with multiple classes. Stochastic subgradient methods can enable efficient learning with a large number of samples for classification techniques that minimize the average loss over the training samples. However, recent techniques, such as minimax risk classifiers (MRCs), minimize the maximum expected loss and are not amenable to stochastic subgradient methods. In this paper, we present a learning algorithm based on the combination of constraint and column generation that enables efficient learning of MRCs with large-scale data for classification tasks with multiple classes. Experiments on multiple benchmark datasets show that the proposed algorithm provides upto a 10x speedup for general large-scale data and around a 100x speedup with a sizeable number of classes.
Authors: Fanbo Ju, Haiyuan Shi, Qingjian Ni
Abstract: Precipitation nowcasting, which aims to provide high spatio-temporal resolution precipitation forecasts by leveraging current radar observations, is a core task in regional weather forecasting. The cascaded architecture has emerged as the mainstream paradigm for deep learning-based precipitation nowcasting. This paradigm involves a deterministic model to predict macroscopic trends (or posterior mean), followed by a probabilistic model to generate local details (or local stochasticity). However, existing methods commonly overlook the conflation of the systematic distribution shift in deterministic predictions and the local stochasticity. As a result, the deterministic component's distribution shift contaminates the predictions of the probabilistic component, leading to inaccuracies in precipitation patterns and intensity, particularly over longer lead times. To address this issue, we introduce RectiCast, a two-stage framework that explicitly decouples the correction of mean-field shift from the generation of local stochasticity via a dual Flow Matching model. In the first stage, a deterministic model generates the posterior mean. In the second stage, we introduce a Rectifier to explicitly learn the distribution shift and produce a rectified mean. Subsequently, a Generator focuses on modeling the local stochasticity conditioned on the rectified mean. Experiments on SEVIR and MeteoNet demonstrate that RectiCast achieves significant performance improvements over existing state-of-the-art methods.
Authors: Yanxuan Yu, Michael S. Hughes, Julien Lee, Jiacheng Zhou, Andrew F. Laine
Abstract: We study classification under extreme class imbalance where recall and calibration are both critical, for example in medical diagnosis scenarios. We propose AF-SMOTE, a mathematically motivated augmentation framework that first synthesizes minority points and then filters them by an adversarial discriminator and a boundary utility model. We prove that, under mild assumptions on the decision boundary smoothness and class-conditional densities, our filtering step monotonically improves a surrogate of F_beta (for beta >= 1) while not inflating Brier score. On MIMIC-IV proxy label prediction and canonical fraud detection benchmarks, AF-SMOTE attains higher recall and average precision than strong oversampling baselines (SMOTE, ADASYN, Borderline-SMOTE, SVM-SMOTE), and yields the best calibration. We further validate these gains across multiple additional datasets beyond MIMIC-IV. Our successful application of AF-SMOTE to a healthcare dataset using a proxy label demonstrates in a disease-agnostic way its practical value in clinical situations, where missing true positive cases in rare diseases can have severe consequences.
Authors: Nele Albers, Esra Cemre Su de Groot, Loes Keijsers, Manon H. Hillegers, Emiel Krahmer
Abstract: Personalizing digital applications for health behavior change is a promising route to making them more engaging and effective. This especially holds for approaches that adapt to users and their specific states (e.g., motivation, knowledge, wants) over time. However, developing such approaches requires making many design choices, whose effectiveness is difficult to predict from literature and costly to evaluate in practice. In this work, we explore whether large language models (LLMs) can be used out-of-the-box to generate samples of user interactions that provide useful information for training reinforcement learning models for digital behavior change settings. Using real user data from four large behavior change studies as comparison, we show that LLM-generated samples can be useful in the absence of real data. Comparisons to the samples provided by human raters further show that LLM-generated samples reach the performance of human raters. Additional analyses of different prompting strategies including shorter and longer prompt variants, chain-of-thought prompting, and few-shot prompting show that the relative effectiveness of different strategies depends on both the study and the LLM with also relatively large differences between prompt paraphrases alone. We provide recommendations for how LLM-generated samples can be useful in practice.
Authors: Bingjun Wei, Xuemei Cao, Jiafen Liu, Haoyang Liang, Xin Yang
Abstract: Traditional Federated Multi-View Clustering assumes uniform views across clients, yet practical deployments reveal heterogeneous view completeness with prevalent incomplete, redundant, or corrupted data. While recent approaches model view heterogeneity, they neglect semantic conflicts from dynamic view combinations, failing to address dual uncertainties: view uncertainty (semantic inconsistency from arbitrary view pairings) and aggregation uncertainty (divergent client updates with imbalanced contributions). To address these, we propose a novel Enhanced Federated Deep Multi-View Clustering framework: first align local semantics, hierarchical contrastive fusion within clients resolves view uncertainty by eliminating semantic conflicts; a view adaptive drift module mitigates aggregation uncertainty through global-local prototype contrast that dynamically corrects parameter deviations; and a balanced aggregation mechanism coordinates client updates. Experimental results demonstrate that EFDMVC achieves superior robustness against heterogeneous uncertain views across multiple benchmark datasets, consistently outperforming all state-of-the-art baselines in comprehensive evaluations.
Authors: Bestoun S. Ahmed, Tommaso Azzalin, Andreas Kassler, Andreas Thore, Hans Lindback
Abstract: We explore a Digital Twin-Based Approach for Smart Manufacturing to improve Sustainability, Efficiency, and Cost-Effectiveness for a steel production plant. Our system is based on a micro-service edge-compute platform that ingests real-time sensor data from the process into a digital twin over a converged network infrastructure. We implement agile machine learning-based control loops in the digital twin to optimize induction furnace heating, enhance operational quality, and reduce process waste. Key to our approach is a Deep Reinforcement learning-based agent used in our machine learning operation (MLOps) driven system to autonomously correlate the system state with its digital twin to identify correction actions that aim to optimize power settings for the plant. We present the theoretical basis, architectural details, and practical implications of our approach to reduce manufacturing waste and increase production quality. We design the system for flexibility so that our scalable event-driven architecture can be adapted to various industrial applications. With this research, we propose a pivotal step towards the transformation of traditional processes into intelligent systems, aligning with sustainability goals and emphasizing the role of MLOps in shaping the future of data-driven manufacturing.
Authors: Ye Tian, Chengcheng Wang, Jing Han, Yehui Tang, Kai Han
Abstract: As Large Language Models (LLMs) continue to grow in size, storing and transmitting them on edge devices becomes increasingly challenging. Traditional methods like quantization and pruning struggle to achieve extreme compression of LLMs without sacrificing accuracy. In this paper, we introduce PocketLLM, a novel approach to compress LLMs in a latent space via meta-networks. A simple encoder network is proposed to project the weights of LLMs into discrete latent vectors, which are then represented using a compact codebook. A lightweight decoder network is employed to map the codebook's representative vectors back to the original weight space. This method allows for significant compression of the large weights in LLMs, consisting solely of a small decoder, a concise codebook, and an index. Extensive experiments show that PocketLLM achieves superior performance even at significantly high compression ratios, e.g., compressing Llama 2-7B by 10x with a negligible drop in accuracy.
Authors: Pratham Sorte
Abstract: Modern artificial intelligence systems depend heavily on large datasets for both training and transferring knowledge between models. Knowledge distillation, transfer learning, and dataset distillation have made such transfers more efficient, yet they remain fundamentally data-driven: a teacher must produce examples, logits, or gradients for a student to learn. In this work, we introduce Model-to-Model Knowledge Transmission (M2KT), a novel paradigm for data-free conceptual transfer between neural networks. M2KT enables models to exchange knowledge packets that encapsulate structured concept embeddings, abstraction graphs, reasoning traces, and provenance metadata. Unlike classical distillation, M2KT operates primarily in concept space rather than example space, and it does not require labeled datasets or teacher-generated outputs during transfer. We formalize the notion of concept manifolds, introduce an inter-model alignment mapping between teacher and student latent spaces, and derive a composite loss that enforces geometric, structural, and reasoning consistency together with explicit safety constraints. We further present algorithmic procedures for teacher-side packet generation and student-side ingestion and verification. Experiments on symbolic reasoning with large language models show that M2KT can achieve approximately 85 to 90 percent of teacher performance while reducing data usage by over 98 percent compared to standard knowledge distillation. This work establishes a theoretical and practical foundation for data-free AI-to-AI knowledge transfer and self-improving model ecosystems.
Authors: Yibing Wan, Zhengxiong Guan, Chaoli Zhang, Xiaoyang Li, Lai Xu, Beibei Jia, Zhenzhe Zheng, Fan Wu
Abstract: In the user growth scenario, Internet companies invest heavily in paid acquisition channels to acquire new users. But sustainable growth depends on acquired users' generating lifetime value (LTV) exceeding customer acquisition cost (CAC). In order to maximize LTV/CAC ratio, it is crucial to predict channel-level LTV in an early stage for further optimization of budget allocation. The LTV forecasting problem is significantly different from traditional time series forecasting problems, and there are three main challenges. Firstly, it is an unaligned multi-time series forecasting problem that each channel has a number of LTV series of different activation dates. Secondly, to predict in the early stage, it faces the imbalanced short-input long-output (SILO) challenge. Moreover, compared with the commonly used time series datasets, the real LTV series are volatile and non-stationary, with more frequent fluctuations and higher variance. In this work, we propose a novel framework called Trapezoidal Temporal Fusion (TTF) to address the above challenges. We introduce a trapezoidal multi-time series module to deal with data unalignment and SILO challenges, and output accurate predictions with a multi-tower structure called MT-FusionNet. The framework has been deployed to the online system for Douyin. Compared to the previously deployed online model, MAPEp decreased by 4.3%, and MAPEa decreased by 3.2%, where MAPEp denotes the point-wise MAPE of the LTV curve and MAPEa denotes the MAPE of the aggregated LTV.
Authors: Sandro Andric
Abstract: Mechanistic interpretability aspires to reverse-engineer neural networks into explicit algorithms, while model editing seeks to modify specific behaviours without retraining. Both areas are typically evaluated with informal evidence and ad-hoc experiments, with few explicit guarantees about how far an extracted or edited model can drift from the original on relevant inputs. We introduce BlockCert, a framework for certified blockwise extraction of transformer mechanisms, and outline how a lightweight extension can support certified local edits. Given a pre-trained transformer and a prompt distribution, BlockCert extracts structured surrogate implementations for residual blocks together with machine-checkable certificates that bound approximation error, record coverage metrics, and hash the underlying artifacts. We formalize a simple Lipschitz-based composition theorem in Lean 4 that lifts these local guarantees to a global deviation bound. Empirically, we apply the framework to GPT-2 small, TinyLlama-1.1B-Chat, and Llama-3.2-3B. Across these models we obtain high per-block coverage and small residual errors on the evaluated prompts, and in the TinyLlama setting we show that a fully stitched model matches the baseline perplexity within approximately 6e-5 on stress prompts. Our results suggest that blockwise extraction with explicit certificates is feasible for real transformer language models and offers a practical bridge between mechanistic interpretability and formal reasoning about model behaviour.
Authors: Liyuan Deng, Yunpeng Bai, Yongkang Dai, Xiaoshui Huang, Hongping Gan, Dongshuo Huang, Hao jiacheng, Yilei Shi
Abstract: Parametric Computer-Aided Design (CAD) is crucial in industrial applications, yet existing approaches often struggle to generate long sequence parametric commands due to complex CAD models' geometric and topological constraints. To address this challenge, we propose MamTiff-CAD, a novel CAD parametric command sequences generation framework that leverages a Transformer-based diffusion model for multi-scale latent representations. Specifically, we design a novel autoencoder that integrates Mamba+ and Transformer, to transfer parameterized CAD sequences into latent representations. The Mamba+ block incorporates a forget gate mechanism to effectively capture long-range dependencies. The non-autoregressive Transformer decoder reconstructs the latent representations. A diffusion model based on multi-scale Transformer is then trained on these latent embeddings to learn the distribution of long sequence commands. In addition, we also construct a dataset that consists of long parametric sequences, which is up to 256 commands for a single CAD model. Experiments demonstrate that MamTiff-CAD achieves state-of-the-art performance on both reconstruction and generation tasks, confirming its effectiveness for long sequence (60-256) CAD model generation.
Authors: Giuseppe Carrino, Elena Loli Piccolomini, Elisa Riccietti, Theo Mary
Abstract: Minimizing loss functions is central to machine-learning training. Although first-order methods dominate practical applications, higher-order techniques such as Newton's method can deliver greater accuracy and faster convergence, yet are often avoided due to their computational cost. This work analyzes the impact of finite-precision arithmetic on Newton steps and establishes a convergence theorem for mixed-precision Newton optimizers, including "quasi" and "inexact" variants. The theorem provides not only convergence guarantees but also a priori estimates of the achievable solution accuracy. Empirical evaluations on standard regression benchmarks demonstrate that the proposed methods outperform Adam on the Australian and MUSH datasets. The second part of the manuscript introduces GN_k, a generalized Gauss-Newton method that enables partial computation of second-order derivatives. GN_k attains performance comparable to full Newton's method on regression tasks while requiring significantly fewer derivative evaluations.
Authors: Debmita Roy
Abstract: This study enhances breast cancer prediction by using large language models to infer the likelihood of confounding diseases, namely diabetes, obesity, and cardiovascular disease, from routine clinical data. These AI-generated features improved Random Forest model performance, particularly for LLMs like Gemma (3.9%) and Llama (6.4%). The approach shows promise for noninvasive prescreening and clinical integration, supporting improved early detection and shared decision-making in breast cancer diagnosis.
Authors: Alex S. C. Maia, John B. Hall, Hugo F. M. Milan, Izabelle A. M. A. Teixeira
Abstract: Advances in technology are transforming sustainable cattle farming practices, with electronic feeding systems generating big longitudinal datasets on individual animal feed intake, offering the possibility for autonomous precision livestock systems. However, the literature still lacks a methodology that fully leverages these longitudinal big data to accurately predict feed intake accounting for environmental conditions. To fill this gap, we developed an AI-based framework to accurately predict feed intake of individual animals and pen-level aggregation. Data from 19 experiments (>16.5M samples; 2013-2024) conducted at Nancy M. Cummings Research Extension & Education Center (Carmen, ID) feedlot facility and environmental data from AgriMet Network weather stations were used to develop two novel environmental indices: InComfort-Index, based solely on meteorological variables, showed good predictive capability for thermal comfort but had limited ability to predict feed intake; EASI-Index, a hybrid index integrating environmental variables with feed intake behavior, performed well in predicting feed intake but was less effective for thermal comfort. Together with the environmental indices, machine learning models were trained and the best-performing machine learning model (XGBoost) accuracy was RMSE of 1.38 kg/day for animal-level and only 0.14 kg/(day-animal) at pen-level. This approach provides a robust AI-based framework for predicting feed intake in individual animals and pens, with potential applications in precision management of feedlot cattle, through feed waste reduction, resource optimization, and climate-adaptive livestock management.
Authors: Azlaan Mustafa Samad, Hoang H. Nguyen, Lukas Berg, Henrik M\"uller, Yuan Xue, Daniel Kudenko, Zahra Ahmadi
Abstract: Modern cities produce vast streams of heterogeneous data, from infrastructure maps to mobility logs and satellite imagery. However, integrating these sources into coherent spatial models for planning and prediction remains a major challenge. Existing agent-centric methods often rely on direct environmental sensing, limiting scalability and raising privacy concerns. This paper introduces CubeletWorld, a novel framework for representing and analyzing urban environments through a discretized 3D grid of spatial units called cubelets. This abstraction enables privacy-preserving modeling by embedding diverse data signals, such as infrastructure, movement, or environmental indicators, into localized cubelet states. CubeletWorld supports downstream tasks such as planning, navigation, and occupancy prediction without requiring agent-driven sensing. To evaluate this paradigm, we propose the CubeletWorld State Prediction task, which involves predicting the cubelet state using a realistic dataset containing various urban elements like streets and buildings through this discretized representation. We explore a range of modified core models suitable for our setting and analyze challenges posed by increasing spatial granularity, specifically the issue of sparsity in representation and scalability of baselines. In contrast to existing 3D occupancy prediction models, our cubelet-centric approach focuses on inferring state at the spatial unit level, enabling greater generalizability across regions and improved privacy compliance. Our results demonstrate that CubeletWorld offers a flexible and extensible framework for learning from complex urban data, and it opens up new possibilities for scalable simulation and decision support in domains such as socio-demographic modeling, environmental monitoring, and emergency response. The code and datasets can be downloaded from here.
Authors: Hadi Khodaei Jooshin, Inna Partin-Vaisband
Abstract: Global routing is a critical stage in electronic design automation (EDA) that enables early estimation and optimization of the routability of modern integrated circuits with respect to congestion, power dissipation, and design complexity. Batching is a primary concern in top-performing global routers, grouping nets into manageable sets to enable parallel processing and efficient resource usage. This process improves memory usage, scalable parallelization on modern hardware, and routing congestion by controlling net interactions within each batch. However, conventional batching methods typically depend on heuristics that are computationally expensive and can lead to suboptimal results (oversized batches with conflicting nets, excessive batch counts degrading parallelization, and longer batch generation times), ultimately limiting scalability and efficiency. To address these limitations, a novel batching algorithm enhanced with Wasserstein generative adversarial networks (WGANs) is introduced in this paper, enabling more effective parallelization by generating fewer higher-quality batches in less time. The proposed algorithm is tested on the latest ISPD'24 contest benchmarks, demonstrating up to 40% runtime reduction with only 0.002% degradation in routing quality as compared to state-of-the-art router.
Authors: Navneet Singh, Shiva Raj Pokhrel
Abstract: Trajectory forecasting for autonomous driving must deliver accurate, calibrated multi-modal futures under tight compute and latency constraints. We propose a compact hybrid quantum architecture that aligns quantum inductive bias with road-scene structure by operating in an ego-centric, lane-aligned frame and predicting residual corrections to a kinematic baseline instead of absolute poses. The model combines a transformer-inspired quantum attention encoder (9 qubits), a parameter-lean quantum feedforward stack (64 layers, ${\sim}1200$ trainable angles), and a Fourier-based decoder that uses shallow entanglement and phase superposition to generate 16 trajectory hypotheses in a single pass, with mode confidences derived from the latent spectrum. All circuit parameters are trained with Simultaneous Perturbation Stochastic Approximation (SPSA), avoiding backpropagation through non-analytic components. In the Waymo Open Motion Dataset, the model achieves minADE (minimum Average Displacement Error) of \SI{1.94}{m} and minFDE (minimum Final Displacement Error) of \SI{3.56}{m} in the $16$ models predicted over the horizon of \SI{2.0}{s}, consistently outperforming a kinematic baseline with reduced miss rates and strong recall. Ablations confirm that residual learning in the lane frame, truncated Fourier decoding, shallow entanglement, and spectrum-based ranking focus capacity where it matters, yielding stable optimization and reliable multi-modal forecasts from small, shallow quantum circuits on a modern autonomous-driving benchmark.
Authors: Abu Kaisar Mohammad Masum, Naveed Mahmud, M. Hassan Najafi, Sercan Aygun
Abstract: Fine-tuning BERT for text classification can be computationally challenging and requires careful hyper-parameter tuning. Recent studies have highlighted the potential of quantum algorithms to outperform conventional methods in machine learning and text classification tasks. In this work, we propose a hybrid approach that integrates an n-qubit quantum circuit with a classical BERT model for text classification. We evaluate the performance of the fine-tuned classical-quantum BERT and demonstrate its feasibility as well as its potential in advancing this research area. Our experimental results show that the proposed hybrid model achieves performance that is competitive with, and in some cases better than, the classical baselines on standard benchmark datasets. Furthermore, our approach demonstrates the adaptability of classical-quantum models for fine-tuning pre-trained models across diverse datasets. Overall, the hybrid model highlights the promise of quantum computing in achieving improved performance for text classification tasks.
Authors: Zhangyu Ge, Xu He, Lingfei Mo, Xiaolin Meng, Wenxuan Yin, Youdong Zhang, Lansong Jiang, Fengyuan Liu
Abstract: The brain's Path Integration (PI) mechanism offers substantial guidance and inspiration for Brain-Inspired Navigation (BIN). However, the PI capability constructed by the Continuous Attractor Neural Networks (CANNs) in most existing BIN studies exhibits significant computational redundancy, and its operational efficiency needs to be improved; otherwise, it will not be conducive to the practicality of BIN technology. To address this, this paper proposes an efficient PI approach using representation learning models to replicate CANN neurodynamic patterns. This method successfully replicates the neurodynamic patterns of CANN-modeled Head Direction Cells (HDCs) and Grid Cells (GCs) using lightweight Artificial Neural Networks (ANNs). These ANN-reconstructed HDC and GC models are then integrated to achieve brain-inspired PI for Dead Reckoning (DR). Benchmark tests in various environments, compared with the well-known NeuroSLAM system, demonstrate that this work not only accurately replicates the neurodynamic patterns of navigation cells but also matches NeuroSLAM in positioning accuracy. Moreover, efficiency improvements of approximately 17.5% on the general-purpose device and 40~50% on the edge device were observed, compared with NeuroSLAM. This work offers a novel implementation strategy to enhance the practicality of BIN technology and holds potential for further extension.
Authors: Quan Liu, Feng Ye, Chenhao Lu, Shuming Zhen, Guanliang Huang, Lunzhe Chen, Xudong Ke
Abstract: Adversarial attacks introduce small, deliberately crafted perturbations that mislead neural networks, and their transferability from white-box to black-box target models remains a critical research focus. Input transformation-based attacks are a subfield of adversarial attacks that enhance input diversity through input transformations to improve the transferability of adversarial examples. However, existing input transformation-based attacks tend to exhibit limited cross-model transferability. Previous studies have shown that high transferability is associated with diverse attention heatmaps and the preservation of global semantics in transformed inputs. Motivated by this observation, we propose Block Stretch and Shrink (BSS), a method that divides an image into blocks and applies stretch and shrink operations to these blocks, thereby diversifying attention heatmaps in transformed inputs while maintaining their global semantics. Empirical evaluations on a subset of ImageNet demonstrate that BSS outperforms existing input transformation-based attack methods in terms of transferability. Furthermore, we examine the impact of the number scale, defined as the number of transformed inputs, in input transformation-based attacks, and advocate evaluating these methods under a unified number scale to enable fair and comparable assessments.
Authors: Gin\'es Carreto Pic\'on, Peng Yuan Zhou, Qi Zhang, Alexandros Iosifidis
Abstract: Transformer-based models have dramatically increased their size and parameter count to tackle increasingly complex tasks. At the same time, there is a growing demand for low-latency inference on resource-constrained devices that achieves high performance. In particular, stream data inference is typically performed over a sliding temporal window, leading to highly redundant computations. The recent Continual Transformers have addressed this issue, but they can only be effectively used in shallow models, which limits their scope and generalization power. In this paper, we propose the Deep Continual Transformer (DeepCoT), a redundancy-free encoder-only model that can be applied over existing deep encoder architectures with minimal changes. In our experiments over audio, video, and text streams, we show that DeepCoTs retain comparative performance to their non-continual baselines while offering a linear computational cost for all Transformer layers, which reduces up to two orders of magnitude in the running time compared to previous efficient models.
Authors: Justin Diamond, Markus Lill
Abstract: We prove that a denoising diffusion sampler equipped with a sequential bias across the batch dimension is exactly an Euler-Maruyama integrator for overdamped Langevin dynamics. Each reverse denoising step, with its associated spring stiffness, can be interpreted as one step of a stochastic differential equation with an effective time step set jointly by the noise schedule and that stiffness. The learned score then plays the role of the drift, equivalently the gradient of a learned energy, yielding a precise correspondence between diffusion sampling and Langevin time evolution. This equivalence recasts molecular dynamics (MD) in terms of diffusion models. Accuracy is no longer tied to a fixed, extremely small MD time step; instead, it is controlled by two scalable knobs: model capacity, which governs how well the drift is approximated, and the number of denoising steps, which sets the integrator resolution. In practice, this leads to a fully data-driven MD framework that learns forces from uncorrelated equilibrium snapshots, requires no hand-engineered force fields, uses no trajectory data for training, and still preserves the Boltzmann distribution associated with the learned energy. We derive trajectory-level, information-theoretic error bounds that cleanly separate discretization error from score-model error, clarify how temperature enters through the effective spring, and show that the resulting sampler generates molecular trajectories with MD-like temporal correlations, even though the model is trained only on static configurations.
Authors: Andrew Lee, Mahir Mobarrat, Xiaolin Chen
Abstract: Deterministic Lateral Displacement (DLD) devices enable liquid biopsy for cancer detection by separating circulating tumor cells (CTCs) from blood samples based on size, but designing these microfluidic devices requires computationally expensive Navier-Stokes simulations and particle-tracing analyses. While recent surrogate modeling approaches using deep learning have accelerated this process, they often inadequately handle the critical periodic boundary conditions of DLD unit cells, leading to cumulative errors in multi-unit device predictions. This paper introduces a periodicity-enforced surrogate modeling approach that incorporates periodic layers, neural network components that guarantee exact periodicity without penalty terms or output modifications, into deep learning architectures for DLD device design. The proposed method employs three sub-networks to predict steady-state, non-dimensional velocity and pressure fields (u, v, p) rather than directly predicting critical diameters or particle trajectories, enabling complete flow field characterization and enhanced design flexibility. Periodic layers ensure exact matching of flow variables across unit cell boundaries through architectural enforcement rather than soft penalty-based approaches. Validation on 120 CFD-generated geometries demonstrates that the periodic layer implementation achieves 0.478% critical diameter error while maintaining perfect periodicity consistency, representing an 85.4% improvement over baseline methods. The approach enables efficient and accurate DLD device design with guaranteed boundary condition satisfaction for multi-unit device applications.
Authors: Melika Shirian, Kianoosh Vadaei, Kian Majlessi, Audrina Ebrahimi, Arshia Hemmat, Peyman Adibi, Hossein Karshenas
Abstract: We present PrismSSL, a Python library that unifies state-of-the-art self-supervised learning (SSL) methods across audio, vision, graphs, and cross-modal settings in a single, modular codebase. The goal of the demo is to show how researchers and practitioners can: (i) install, configure, and run pretext training with a few lines of code; (ii) reproduce compact benchmarks; and (iii) extend the framework with new modalities or methods through clean trainer and dataset abstractions. PrismSSL is packaged on PyPI, released under the MIT license, integrates tightly with HuggingFace Transformers, and provides quality-of-life features such as distributed training in PyTorch, Optuna-based hyperparameter search, LoRA fine-tuning for Transformer backbones, animated embedding visualizations for sanity checks, Weights & Biases logging, and colorful, structured terminal logs for improved usability and clarity. In addition, PrismSSL offers a graphical dashboard - built with Flask and standard web technologies - that enables users to configure and launch training pipelines with minimal coding. The artifact (code and data recipes) will be publicly available and reproducible.
Authors: Yiwen Kou, Raghu Meka
Abstract: Agnostic learning of Boolean halfspaces is a fundamental problem in computational learning theory, but it is known to be computationally hard even for weak learning. Recent work [CKKMK24] proposed smoothed analysis as a way to bypass such hardness, but existing frameworks rely on additive Gaussian perturbations, making them unsuitable for discrete domains. We introduce a new smoothed agnostic learning framework for Boolean inputs, where perturbations are modeled via random bit flips. This defines a natural discrete analogue of smoothed optimality generalizing the Gaussian case. Under strictly subexponential assumptions on the input distribution, we give an efficient algorithm for learning halfspaces in this model, with runtime and sample complexity approximately n raised to a poly(1/(sigma * epsilon)) factor. Previously, such algorithms were known only with strong structural assumptions for the discrete hypercube, for example, independent coordinates or symmetric distributions. Our result provides the first computationally efficient guarantee for smoothed agnostic learning of halfspaces over the Boolean hypercube, bridging the gap between worst-case intractability and practical learnability in discrete settings.
Authors: Lyu Yuhuan
Abstract: Verifying uniform conditions over continuous spaces through random sampling is fundamental in machine learning and control theory, yet classical coverage analyses often yield conservative bounds, particularly at small failure probabilities. We study uniform random sampling on the $d$-dimensional unit hypercube and analyze the number of uncovered subcubes after discretization. By applying a concentration inequality to the uncovered-count statistic, we derive a sample complexity bound with a logarithmic dependence on the failure probability ($\delta$), i.e., $M =O( \tilde{C}\ln(\frac{2\tilde{C}}{\delta}))$, which contrasts sharply with the classical linear $1/\delta$ dependence. Under standard Lipschitz and uniformity assumptions, we present a self-contained derivation and compare our result with classical coupon-collector rates. Numerical studies across dimensions, precision levels, and confidence targets indicate that our bound tracks practical coverage requirements more tightly and scales favorably as $\delta \to 0$. Our findings offer a sharper theoretical tool for algorithms that rely on grid-based coverage guarantees, enabling more efficient sampling, especially in high-confidence regimes.
Authors: Elizabeth Chen, Andrew Lee, Tanbir Sarowar, Xiaolin Chen
Abstract: Deterministic Lateral Displacement (DLD) devices are widely used in microfluidics for label-free, size-based separation of particles and cells, with particular promise in isolating circulating tumor cells (CTCs) for early cancer diagnostics. This study focuses on the optimization of DLD design parameters, such as row shift fraction, post size, and gap distance, to enhance the selective isolation of lung cancer cells based on their physical properties. To overcome the challenges of rare CTC detection and reduce reliance on computationally intensive simulations, machine learning models including gradient boosting, k-nearest neighbors, random forest, and multilayer perceptron (MLP) regressors are employed. Trained on a large, numerically validated dataset, these models predict particle trajectories and identify optimal device configurations, enabling high-throughput and cost-effective DLD design. Beyond trajectory prediction, the models aid in isolating critical design variables, offering a systematic, data-driven framework for automated DLD optimization. This integrative approach advances the development of scalable and precise microfluidic systems for cancer diagnostics, contributing to the broader goals of early detection and personalized medicine.
Authors: Sam Dillavou, Shruti Mishra
Abstract: Digital computers are power-hungry and largely intolerant of damaged components, making them potentially difficult tools for energy-limited autonomous agents in uncertain environments. Recently developed Contrastive Local Learning Networks (CLLNs) - analog networks of self-adjusting nonlinear resistors - are inherently low-power and robust to physical damage, but were constructed to perform supervised learning. In this work we demonstrate success on two simple RL problems using Q-learning adapted for simulated CLLNs. Doing so makes explicit the components (beyond the network being trained) required to enact various tools in the RL toolbox, some of which (policy function and value function) are more natural in this system than others (replay buffer). We discuss assumptions such as the physical safety that digital hardware requires, CLLNs can forgo, and biological systems cannot rely on, and highlight secondary goals that are important in biology and trainable in CLLNs, but make little sense in digital computers.
Authors: Afsaneh Mahanipour, Hana Khamfroush
Abstract: Multi-label feature selection (FS) reduces the dimensionality of multi-label data by removing irrelevant, noisy, and redundant features, thereby boosting the performance of multi-label learning models. However, existing methods typically require centralized data, which makes them unsuitable for distributed and federated environments where each device/client holds its own local dataset. Additionally, federated methods often assume that clients have labeled data, which is unrealistic in cases where clients lack the expertise or resources to label task-specific data. To address these challenges, we propose a Semi-Supervised Federated Multi-Label Feature Selection method, called SSFMLFS, where clients hold only unlabeled data, while the server has limited labeled data. SSFMLFS adapts fuzzy information theory to a federated setting, where clients compute fuzzy similarity matrices and transmit them to the server, which then calculates feature redundancy and feature-label relevancy degrees. A feature graph is constructed by modeling features as vertices, assigning relevancy and redundancy degrees as vertex weights and edge weights, respectively. PageRank is then applied to rank the features by importance. Extensive experiments on five real-world datasets from various domains, including biology, images, music, and text, demonstrate that SSFMLFS outperforms other federated and centralized supervised and semi-supervised approaches in terms of three different evaluation metrics in non-IID data distribution setting.
Authors: Cuong Pham, Hoang Anh Dung, Cuong C. Nguyen, Trung Le, Gustavo Carneiro, Thanh-Toan Do
Abstract: Large language models (LLMs) have significantly advanced natural language processing, but their massive parameter counts create substantial computational and memory challenges during deployment. Post-training quantization (PTQ) has emerged as a promising approach to mitigate these challenges with minimal overhead. While existing PTQ methods can effectively quantize LLMs, they experience substantial accuracy loss at extremely low bit-widths, primarily due to high-impact parameters that significantly influence quantization performance. Several approaches address these issues by identifying and retaining the high-impact parameters in FP16 format. However, they apply fixed ratios of high-impact parameters across all layers, overlooking layer-wise sensitivity variations. In this paper, we propose a quadratic optimization framework that determines layer-specific ratios of high-impact parameters while considering inter-layer dependencies. We quantize high-impact parameters to moderate bit-widths, which often result in negligible performance degradation in quantized LLMs, while the remaining parameters can be quantized to extremely low bit-widths. Under the same resource-constrained budget, this allows for preserving more high-impact parameters than methods that keep selecting a few in FP16 format. Additionally, the proposed framework allows us to leverage an advanced quantization method that often requires extensive learnable parameters solely for high-impact parameters, while applying a computationally efficient method to the rest. Our approach achieves an effective balance between computational efficiency and model accuracy while maintaining high performance compared to state-of-the-art methods.
Authors: Cuong Pham, Hoang Anh Dung, Cuong C. Nguyen, Trung Le, Gustavo Carneiro, Jianfei Cai, Thanh-Toan Do
Abstract: Large language models require significant computational resources for deployment, making quantization essential for practical applications. However, the main obstacle to effective quantization lies in systematic outliers in activations and weights, which cause substantial LLM performance degradation, especially at low-bit settings. While existing transformation-based methods like affine and rotation transformations successfully mitigate outliers, they apply the homogeneous transformation setting, i.e., using the same transformation types across all layers, ignoring the heterogeneous distribution characteristics within LLMs. In this paper, we propose an adaptive transformation selection framework that systematically determines optimal transformations on a per-layer basis. To this end, we first formulate transformation selection as a differentiable optimization problem to achieve the accurate transformation type for each layer. However, searching for optimal layer-wise transformations for every model is computationally expensive. To this end, we establish the connection between weight distribution kurtosis and accurate transformation type. Specifically, we propose an outlier-guided layer selection method using robust $z$-score normalization that achieves comparable performance to differentiable search with significantly reduced overhead. Comprehensive experiments on LLaMA family models demonstrate that our adaptive approach consistently outperforms the widely-used fixed transformation settings. For example, our method achieves an improvement of up to 4.58 perplexity points and a 2.11% gain in average six-task zero-shot accuracy under aggressive W3A3K2V2 quantization settings for the LLaMA-3-8B model compared to the current best existing method, FlatQuant, demonstrating the necessity of heterogeneous transformation selection for optimal LLM quantization.
Authors: Aishwarya Mandyam, Kalyani Limaye, Barbara E. Engelhardt, Emily Alsentzer
Abstract: Off-policy evaluation (OPE) estimates the value of a contextual bandit policy prior to deployment. As such, OPE plays a critical role in ensuring safety in high-stakes domains such as healthcare. However, standard OPE approaches are limited by the size and coverage of the behavior dataset. While previous work has explored using expert-labeled counterfactual annotations to enhance dataset coverage, obtaining such annotations is expensive, limiting the scalability of prior approaches. We propose leveraging large language models (LLMs) to generate counterfactual annotations for OPE in medical domains. Our method uses domain knowledge to guide LLMs in predicting how key clinical features evolve under alternate treatments. These predicted features can then be transformed using known reward functions to create counterfactual annotations. We first evaluate the ability of several LLMs to predict clinical features across two patient subsets in MIMIC-IV, finding that state-of-the-art LLMs achieve comparable performance. Building on this capacity to predict clinical features, we generate LLM-based counterfactual annotations and incorporate them into an OPE estimator. Our empirical results analyze the benefits of counterfactual annotations under varying degrees of shift between the behavior and target policies. We find that in most cases, the LLM-based counterfactual annotations significantly improve OPE estimates up to a point. We provide an entropy-based metric to identify when additional annotations cease to be useful. Our results demonstrate that LLM-based counterfactual annotations offer a scalable approach for addressing coverage limitations in healthcare datasets, enabling safer deployment of decision-making policies in clinical settings.
Authors: Ziyun Chen, Spencer Compton, Daniel Kane, Jerry Li
Abstract: In list-decodable learning, we are given a set of data points such that an $\alpha$-fraction of these points come from a nice distribution $D$, for some small $\alpha \ll 1$, and the goal is to output a short list of candidate solutions, such that at least one element of this list recovers some non-trivial information about $D$. By now, there is a large body of work on this topic; however, while many algorithms can achieve optimal list size in terms of $\alpha$, all known algorithms must incur error which decays, in some cases quite poorly, with $1 / \alpha$. In this paper, we ask if this is inherent: is it possible to trade off list size with accuracy in list-decodable learning? More formally, given $\epsilon > 0$, can we can output a slightly larger list in terms of $\alpha$ and $\epsilon$, but so that one element of this list has error at most $\epsilon$ with the ground truth? We call this problem high-accuracy list-decodable learning. Our main result is that non-trivial high-accuracy guarantees, both information-theoretically and algorithmically, are possible for the canonical setting of list-decodable mean estimation of identity-covariance Gaussians. Specifically, we demonstrate that there exists a list of candidate means of size at most $L = \exp \left( O\left( \tfrac{\log^2 1 / \alpha}{\epsilon^2} \right)\right)$ so that one of the elements of this list has $\ell_2$ distance at most $\epsilon$ to the true mean. We also design an algorithm that outputs such a list with runtime and sample complexity $n = d^{O(\log L)} + \exp \exp (\widetilde{O}(\log L))$. We do so by demonstrating a completely novel proof of identifiability, as well as a new algorithmic way of leveraging this proof without the sum-of-squares hierarchy, which may be of independent technical interest.
Authors: Naitik Gada (Rochester Institute of Technology)
Abstract: Clustering algorithms have long been the topic of research, representing the more popular side of unsupervised learning. Since clustering analysis is one of the best ways to find some clarity and structure within raw data, this paper explores a novel approach to \textit{k}-means clustering. Here we present a \textit{k}-means clustering algorithm that takes both the within cluster distance (WCD) and the inter cluster distance (ICD) as the distance metric to cluster the data into \emph{k} clusters pre-determined by the Calinski-Harabasz criterion in order to provide a more robust output for the clustering analysis. The idea with this approach is that by including both the measurement metrics, the convergence of the data into their clusters becomes solidified and more robust. We run the algorithm with some synthetically produced data and also some benchmark data sets obtained from the UCI repository. The results show that the convergence of the data into their respective clusters is more accurate by using both WCD and ICD measurement metrics. The algorithm is also better at clustering the outliers into their true clusters as opposed to the traditional \textit{k} means method. We also address some interesting possible research topics that reveal themselves as we answer the questions we initially set out to address.
Authors: Ziyang Zhang, Xinheng Ding, Jiayi Yuan, Rixin Liu, Huizi Mao, Jiarong Xing, Zirui Liu
Abstract: Deterministic inference is increasingly critical for large language model (LLM) applications such as LLM-as-a-judge evaluation, multi-agent systems, and Reinforcement Learning (RL). However, existing LLM serving frameworks exhibit non-deterministic behavior: identical inputs can yield different outputs when system configurations (e.g., tensor parallel (TP) size, batch size) vary, even under greedy decoding. This arises from the non-associativity of floating-point arithmetic and inconsistent reduction orders across GPUs. While prior work has addressed batch-size-related nondeterminism through batch-invariant kernels, determinism across different TP sizes remains an open problem, particularly in RL settings, where the training engine typically uses Fully Sharded Data Parallel (i.e., TP = 1) while the rollout engine relies on multi-GPU TP to maximize the inference throughput, creating a natural mismatch between the two. This precision mismatch problem may lead to suboptimal performance or even collapse for RL training. We identify and analyze the root causes of TP-induced inconsistency and propose Tree-Based Invariant Kernels (TBIK), a set of TP-invariant matrix multiplication and reduction primitives that guarantee bit-wise identical results regardless of TP size. Our key insight is to align intra- and inter-GPU reduction orders through a unified hierarchical binary tree structure. We implement these kernels in Triton and integrate them into vLLM and FSDP. Experiments confirm zero probability divergence and bit-wise reproducibility for deterministic inference across different TP sizes. Also, we achieve bit-wise identical results between vLLM and FSDP in RL training pipelines with different parallel strategy. Code is available at https://github.com/nanomaoli/llm_reproducibility.
Authors: Akhil Singampalli, Sudeep Pasricha
Abstract: Indoor localization using machine learning has gained traction due to the growing demand for location-based services. However, its long-term reliability is hindered by hardware/software variations across mobile devices, which shift the model's input distribution to create domain shifts. Further, evolving indoor environments can introduce new locations over time, expanding the output space to create class shifts, making static machine learning models ineffective over time. To address these challenges, we propose a novel unified continual learning framework for indoor localization called MOELO that, for the first time, jointly addresses domain-incremental and class-incremental learning scenarios. MOELO enables a lightweight, robust, and adaptive localization solution that can be deployed on resource-limited mobile devices and is capable of continual learning in dynamic, heterogeneous real-world settings. This is made possible by a mixture-of-experts architecture, where experts are incrementally trained per region and selected through an equiangular tight frame based gating mechanism ensuring efficient routing, and low-latency inference, all within a compact model footprint. Experimental evaluations show that MOELO achieves improvements of up to 25.6x in mean localization error, 44.5x in worst-case localization error, and 21.5x lesser forgetting compared to state-of-the-art frameworks across diverse buildings, mobile devices, and learning scenarios.
Authors: Tony Shaska
Abstract: We introduce a graded formulation of internal symbolic computation for transformers. The hidden space is endowed with a grading $V=\bigoplus_{g\in G}V_g$, and symbolic operations are realized as typed block maps (morphisms) $\phi_{h\leftarrow g}:V_g\to V_h$ that are activated selectively by a differentiable routing policy. A self-supervised \emph{graded utility functional}, defined as the loss reduction induced by a candidate morphism, governs activation and yields sparse, interpretable behavior. We develop the algebraic and geometric foundations: an internal model category whose objects are homogeneous components and whose morphisms are admissible grade transitions; adjoint pairs encoding typed round trips; and information-geometric interpretations in terms of KL gain, mirror descent with Bregman divergences, and Fisher natural gradients. Methodologically, we specify a utility--aware routing mechanism and objective that remain fully end-to-end differentiable. Analytic case studies and lightweight sanity checks illustrate selective morphic activation on hybrid symbolic-linguistic tasks. The framework unifies symbolic computation, geometry, and self--supervised learning within the \emph{graded transformer} formalism \cite{sh-89,sh-95}, while subsuming prior external-tool paradigms (e.g., Toolformer \cite{toolformer2023}) as a special case via functorial internalization.
Authors: Zhihui Tian, Ethan Suwandi, Tomas Oppelstrup, Vasily V. Bulatov, Joel B. Harley, Fei Zhou
Abstract: Graph neural networks (GNN) have emerged as a promising machine learning method for microstructure simulations such as grain growth. However, accurate modeling of realistic grain boundary networks requires large simulation cells, which GNN has difficulty scaling up to. To alleviate the computational costs and memory footprint of GNN, we propose a hybrid architecture combining a convolutional neural network (CNN) based bijective autoencoder to compress the spatial dimensions, and a GNN that evolves the microstructure in the latent space of reduced spatial sizes. Our results demonstrate that the new design significantly reduces computational costs with using fewer message passing layer (from 12 down to 3) compared with GNN alone. The reduction in computational cost becomes more pronounced as the spatial size increases, indicating strong computational scalability. For the largest mesh evaluated (160^3), our method reduces memory usage and runtime in inference by 117x and 115x, respectively, compared with GNN-only baseline. More importantly, it shows higher accuracy and stronger spatiotemporal capability than the GNN-only baseline, especially in long-term testing. Such combination of scalability and accuracy is essential for simulating realistic material microstructures over extended time scales. The improvements can be attributed to the bijective autoencoder's ability to compress information losslessly from spatial domain into a high dimensional feature space, thereby producing more expressive latent features for the GNN to learn from, while also contributing its own spatiotemporal modeling capability. The training was optimized to learn from the stochastic Potts Monte Carlo method. Our findings provide a highly scalable approach for simulating grain growth.
Authors: Bochen Lyu, Yiyang Jia, Xiaohao Cai, Zhanxing Zhu
Abstract: Transformers can acquire Chain-of-Thought (CoT) capabilities to solve complex reasoning tasks through fine-tuning. Reinforcement learning (RL) and supervised fine-tuning (SFT) are two primary approaches to this end, yet their underlying mechanisms and differences remain theoretically unclear. In this work, we examine these aspects specifically for learning $k$-sparse Boolean functions with a one-layer transformer and intermediate supervision that is akin to CoT. In particular, we consider $k$-sparse Boolean functions that can be recursively decomposed into fixed 2-sparse Boolean functions. We analyze the learning dynamics of fine-tuning the transformer via either RL or SFT with CoT to identify sufficient conditions for it to provably learn these functions. We verify that these conditions hold for three basic examples, including $k$-PARITY, $k$-AND, and $k$-OR, thus demonstrating the learnability of both approaches. Notably, we reveal that RL and SFT exhibit distinct learning behaviors: RL learns the whole CoT chain simultaneously, whereas SFT learns the CoT chain step-by-step. Overall, our findings provide theoretical insights into the underlying mechanisms of RL and SFT as well as how they differ in triggering the CoT capabilities of transformers.
Authors: Xuesong Jia, Yuanjie Shi, Ziquan Liu, Yi Xu, Yan Yan
Abstract: Conformal prediction (CP) is a general framework to quantify the predictive uncertainty of machine learning models that uses a set prediction to include the true label with a valid probability. To align the uncertainty measured by CP, conformal training methods minimize the size of the prediction sets. A typical way is to use a surrogate indicator function, usually Sigmoid or Gaussian error function. However, these surrogate functions do not have a uniform error bound to the indicator function, leading to uncontrollable learning bounds. In this paper, we propose a simple cost-sensitive conformal training algorithm that does not rely on the indicator approximation mechanism. Specifically, we theoretically show that minimizing the expected size of prediction sets is upper bounded by the expected rank of true labels. To this end, we develop a rank weighting strategy that assigns the weight using the rank of true label on each data sample. Our analysis provably demonstrates the tightness between the proposed weighted objective and the expected size of conformal prediction sets. Extensive experiments verify the validity of our theoretical insights, and superior empirical performance over other conformal training in terms of predictive efficiency with 21.38% reduction for average prediction set size.
Authors: Adrian Goldwaser, Michael Munn, Javier Gonzalvo, Benoit Dherin
Abstract: Recent research has established that the impact of context in a vanilla transformer can be represented implicitly by forming a token-dependent, rank-1 patch to its MLP weights. This work extends that foundational theory to the diverse architectures of modern Large Language Models. We first demonstrate a precise, analytical solution for a Gemma-style transformer block, proving that the entire effect of a context can be perfectly mapped to rank-1 patches on its MLP weight matrices and a patch to the RMSNorm scale. We then generalize this result, providing a constructive proof and algorithm for multi-layer models. To unify these findings, we introduce a general framework centered on two core properties: input controllability and output controllability. We prove that a perfect implicit weight patch is possible for any MLP block where the inner function is input-controllable and the outer function is output-controllable. This provides a simpler and more powerful lens for understanding how transformer models transmute prompts into effective weights. This setup generalizes to a wide range of modern LLM architectures including gating, pre-/post-norm, mixture of experts and sequential/parallel transformer blocks.
Authors: Subramanyam Sahoo, Jared Junkin
Abstract: Embodied AI agents exploit reward signal flaws through reward hacking, achieving high proxy scores while failing true objectives. We introduce Mechanistically Interpretable Task Decomposition (MITD), a hierarchical transformer architecture with Planner, Coordinator, and Executor modules that detects and mitigates reward hacking. MITD decomposes tasks into interpretable subtasks while generating diagnostic visualizations including Attention Waterfall Diagrams and Neural Pathway Flow Charts. Experiments on 1,000 HH-RLHF samples reveal that decomposition depths of 12 to 25 steps reduce reward hacking frequency by 34 percent across four failure modes. We present new paradigms showing that mechanistically grounded decomposition offers a more effective way to detect reward hacking than post-hoc behavioral monitoring.
Authors: Yusong Wu, Stephen Brade, Teng Ma, Tia-Jane Fowler, Enning Yang, Berker Banar, Aaron Courville, Natasha Jaques, Cheng-Zhi Anna Huang
Abstract: Most applications of generative AI involve a sequential interaction in which a person inputs a prompt and waits for a response, and where reaction time and adaptivity are not important factors. In contrast, live jamming is a collaborative interaction that requires real-time coordination and adaptation without access to the other player's future moves, while preserving diversity to sustain a creative flow. Reinforcement learning post-training enables effective adaptation through on-policy interaction, yet it often reduces output diversity by exploiting coherence-based rewards. This collapse, known as ``reward hacking'', affects many RL post-training pipelines, but is especially harmful in live jamming, where musical creativity relies on dynamic variation and mutual responsiveness. In this paper, we propose a novel adversarial training method on policy-generated trajectories to mitigate reward hacking in RL post-training for melody-to-chord accompaniment. A co-evolving discriminator separates policy trajectories from the data distribution, while the policy maximizes the discriminator output in addition to coherence rewards to prevent collapse to trivial outputs. We evaluate accompaniment quality and output diversity in simulation with both fixed test melodies and learned melody agents, and we conduct a user study with the model deployed in a real-time interactive system with expert musicians. Quantitative evaluation and user feedback demonstrate improved output diversity, harmonic coherence, adaptation speed and user agency. Our results demonstrate a simple yet effective method to mitigate reward hacking in RL post-training of generative sequence models.
Authors: Yifan He, Haodong Zhang, Qiuheng Song, Lin Lei, Zhenxuan Zeng, Haoyang He, Hongyan Wu
Abstract: Distributed Fiber Optic Sensing (DFOS) has shown strong potential in perimeter security due to its capability of monitoring vibration events across long distances with fine spatial resolution. However, practical DFOS systems face three critical challenges: (1) signal patterns of the same activity vary drastically under different fiber deployment types (e.g., underground, wall-mounted), causing domain shift; (2) labeled data in new deployment scenarios is often scarce or entirely unavailable, limiting model adaptability; and (3) even within source domains, data scarcity makes it difficult to capture intra-class diversity for robust learning. To address these challenges, we propose a novel meta-learning framework, DUPLE, for cross-deployment DFOS activity identification. First, a dual-domain multi-prototype learner fuses temporal and frequency domain features, enhancing the model's generalization ability under signal distribution shifts. Second, a Statistical Guided Network (SGN) infers domain importance and prototype sensitivity from raw statistical features, providing data-driven prior information for learning in unlabeled or unseen domains. Third, a query-aware prototype aggregation module adaptively selects and combines relevant prototypes, thereby improving classification performance even with limited data. Extensive experiments on cross-deployment DFOS datasets demonstrate that our method significantly outperforms baseline approaches in domain generalization settings, enabling robust event recognition across diverse fiber configurations with minimal labeled data.
Authors: Wenzhang Du
Abstract: Many deployed learning systems must update models on streaming data under memory constraints. The default strategy, sequential fine-tuning on each new phase, is architecture-agnostic but often suffers catastrophic forgetting when later phases correspond to different sub-populations or tasks. Replay with a finite buffer is a simple alternative, yet its behaviour across generative and predictive objectives is not well understood. We present a unified study of stateful replay for streaming autoencoding, time series forecasting, and classification. We view both sequential fine-tuning and replay as stochastic gradient methods for an ideal joint objective, and use a gradient alignment analysis to show when mixing current and historical samples should reduce forgetting. We then evaluate a single replay mechanism on six streaming scenarios built from Rotated MNIST, ElectricityLoadDiagrams 2011-2014, and Airlines delay data, using matched training budgets and three seeds. On heterogeneous multi task streams, replay reduces average forgetting by a factor of two to three, while on benign time based streams both methods perform similarly. These results position stateful replay as a strong and simple baseline for continual learning in streaming environments.
Authors: Min Woo Park, Sanghack Lee
Abstract: Intelligent agents equipped with causal knowledge can optimize their action spaces to avoid unnecessary exploration. The structural causal bandit framework provides a graphical characterization for identifying actions that are unable to maximize rewards by leveraging prior knowledge of the underlying causal structure. While such knowledge enables an agent to estimate the expected rewards of certain actions based on others in online interactions, there has been little guidance on how to transfer information inferred from arbitrary combinations of datasets collected under different conditions -- observational or experimental -- and from heterogeneous environments. In this paper, we investigate the structural causal bandit with transportability, where priors from the source environments are fused to enhance learning in the deployment setting. We demonstrate that it is possible to exploit invariances across environments to consistently improve learning. The resulting bandit algorithm achieves a sub-linear regret bound with an explicit dependence on informativeness of prior data, and it may outperform standard bandit approaches that rely solely on online learning.
Authors: Jun Kevin, Pujianto Yugopuspito
Abstract: This paper introduces a hybrid framework for portfolio optimization that fuses Long Short-Term Memory (LSTM) forecasting with a Proximal Policy Optimization (PPO) reinforcement learning strategy. The proposed system leverages the predictive power of deep recurrent networks to capture temporal dependencies, while the PPO agent adaptively refines portfolio allocations in continuous action spaces, allowing the system to anticipate trends while adjusting dynamically to market shifts. Using multi-asset datasets covering U.S. and Indonesian equities, U.S. Treasuries, and major cryptocurrencies from January 2018 to December 2024, the model is evaluated against several baselines, including equal-weight, index-style, and single-model variants (LSTM-only and PPO-only). The framework's performance is benchmarked against equal-weighted, index-based, and single-model approaches (LSTM-only and PPO-only) using annualized return, volatility, Sharpe ratio, and maximum drawdown metrics, each adjusted for transaction costs. The results indicate that the hybrid architecture delivers higher returns and stronger resilience under non-stationary market regimes, suggesting its promise as a robust, AI-driven framework for dynamic portfolio optimization.
Authors: Oluleke Babayomi, Dong-Seong Kim
Abstract: Maintaining economic efficiency and operational reliability in microgrid energy management systems under cyberattack conditions remains challenging. Most approaches assume non-anomalous measurements, make predictions with unquantified uncertainties, and do not mitigate malicious attacks on renewable forecasts for energy management optimization. This paper presents a comprehensive cyber-resilient framework integrating federated Long Short-Term Memory-based photovoltaic forecasting with a novel two-stage cascade false data injection attack detection and energy management system optimization. The approach combines autoencoder reconstruction error with prediction uncertainty quantification to enable attack-resilient energy storage scheduling while preserving data privacy. Extreme false data attack conditions were studied that caused 58% forecast degradation and 16.9\% operational cost increases. The proposed integrated framework reduced false positive detections by 70%, recovered 93.7% of forecasting performance losses, and achieved 5\% operational cost savings, mitigating 34.7% of attack-induced economic losses. Results demonstrate that precision-focused cascade detection with multi-signal fusion outperforms single-signal approaches, validating security-performance synergy for decentralized microgrids.
Authors: Mohamed Mabrok, Yalda Zafari
Abstract: State-space models (SSMs), particularly Mamba, have become powerful architectures for sequence modeling, yet their internal dynamics remain poorly understood compared to attention-based models. We introduce and validate the Influence Score, a controllability-based metric derived from the discretized state-space parameters of Mamba and computed through a backward recurrence analogous to system observability. The score quantifies how strongly a token at position k affects all later states and outputs. We evaluate this measure across three Mamba variants: mamba-130m, mamba-2.8b, and mamba-2.8b-slimpj, using six experiments that test its sensitivity to temperature, prompt complexity, token type, layer depth, token position, and input perturbations. The results show three main insights: (1) the Influence Score increases with model size and training data, reflecting model capacity; (2) Mamba exhibits consistent architectural patterns, including recency bias and concentrated influence in mid-to-late layers; and (3) emergent behaviors appear only at scale, with mamba-2.8b-slimpj uniquely prioritizing content words and reducing internal influence in the presence of noise. These findings establish the Influence Score as a practical diagnostic tool for interpreting and comparing SSM-based language models.
Authors: Oluleke Babayomi, Dong-Seong Kim
Abstract: Electric Vehicle (EV) charging infrastructure faces escalating cybersecurity threats that can severely compromise operational efficiency and grid stability. Existing forecasting techniques are limited by the lack of combined robust anomaly mitigation solutions and data privacy preservation. Therefore, this paper addresses these challenges by proposing a novel anomaly-resilient federated learning framework that simultaneously preserves data privacy, detects cyber-attacks, and maintains trustworthy demand prediction accuracy under adversarial conditions. The proposed framework integrates three key innovations: LSTM autoencoder-based distributed anomaly detection deployed at each federated client, interpolation-based anomalous data mitigation to preserve temporal continuity, and federated Long Short-Term Memory (LSTM) networks that enable collaborative learning without centralized data aggregation. The framework is validated on real-world EV charging infrastructure datasets combined with real-world DDoS attack datasets, providing robust validation of the proposed approach under realistic threat scenarios. Experimental results demonstrate that the federated approach achieves superior performance compared to centralized models, with 15.2% improvement in R2 accuracy while maintaining data locality. The integrated cyber-attack detection and mitigation system produces trustworthy datasets that enhance prediction reliability, recovering 47.9% of attack-induced performance degradation while maintaining exceptional precision (91.3%) and minimal false positive rates (1.21%). The proposed architecture enables enhanced EV infrastructure planning, privacy-preserving collaborative forecasting, cybersecurity resilience, and rapid recovery from malicious threats across distributed charging networks.
Authors: Naoki Masuyama, Yuichiro Toda, Yusuke Nojima, Hisao Ishibuchi
Abstract: Clustering in stationary and nonstationary settings, where data distributions remain static or evolve over time, requires models that can adapt to distributional shifts while preserving previously learned cluster structures. This paper proposes an Adaptive Resonance Theory (ART)-based topological clustering algorithm that autonomously adjusts its recalculation interval and vigilance threshold through a diversity-driven adaptation mechanism. This mechanism enables hyperparameter-free learning that maintains cluster stability and continuity in dynamic environments. Experiments on 24 real-world datasets demonstrate that the proposed algorithm outperforms state-of-the-art methods in both clustering performance and continual learning capability. These results highlight the effectiveness of the proposed parameter adaptation in mitigating catastrophic forgetting and maintaining consistent clustering in evolving data streams. Source code is available at https://github.com/Masuyama-lab/IDAT
Authors: Jinping Wang, Zhiqiang Gao, Dinggen Zhang, Zhiwu Xie
Abstract: Current methods for editing pre-trained models face significant challenges, primarily high computational costs and limited scalability. Task arithmetic has recently emerged as a promising solution, using simple arithmetic operations-addition and negation-based on task vectors which are the differences between fine-tuned and pre-trained model weights, to efficiently modify model behavior. However, the full potential of task arithmetic remains underexplored, primarily due to limited mechanisms for overcoming optimization stagnation. To address this challenge, we introduce the notion of difference vector, a generalized form of task vectors derived from the historical movements during optimization. Using difference vectors as directed perturbations, we propose the Difference Vector-based Anisotropic Scaling Iterative algorithm (DV-BASI) to enable a continuous optimization process for task arithmetic methods without relying on any additional modules or components. Notably, by leveraging escapability and directional advantages of difference vectors, the average performance on different tasks of the multi-task model merged by DV-BASI may even outperform models individually fine-tuned. Based on this observation, we extend the application of difference vectors to a feasible fine-tuning method for single-task models. On the practical side, DV-BASI allows expressive searching directions with few learnable parameters and forms a scalable framework. We also integrate DV-BASI with task arithmetic methods and advanced optimization techniques to achieve state-of-the-art performance on both supervised and unsupervised evaluation protocols.
Authors: Jiayi Luo, Qingyun Sun, Yuecen Wei, Haonan Yuan, Xingcheng Fu, Jianxin Li
Abstract: Multi-domain graph pre-training has emerged as a pivotal technique in developing graph foundation models. While it greatly improves the generalization of graph neural networks, its privacy risks under membership inference attacks (MIAs), which aim to identify whether a specific instance was used in training (member), remain largely unexplored. However, effectively conducting MIAs against multi-domain graph pre-trained models is a significant challenge due to: (i) Enhanced Generalization Capability: Multi-domain pre-training reduces the overfitting characteristics commonly exploited by MIAs. (ii) Unrepresentative Shadow Datasets: Diverse training graphs hinder the obtaining of reliable shadow graphs. (iii) Weakened Membership Signals: Embedding-based outputs offer less informative cues than logits for MIAs. To tackle these challenges, we propose MGP-MIA, a novel framework for Membership Inference Attacks against Multi-domain Graph Pre-trained models. Specifically, we first propose a membership signal amplification mechanism that amplifies the overfitting characteristics of target models via machine unlearning. We then design an incremental shadow model construction mechanism that builds a reliable shadow model with limited shadow graphs via incremental learning. Finally, we introduce a similarity-based inference mechanism that identifies members based on their similarity to positive and negative samples. Extensive experiments demonstrate the effectiveness of our proposed MGP-MIA and reveal the privacy risks of multi-domain graph pre-training.
Authors: Nikita P. Kalinin, Joel Daniel Andersson
Abstract: We study differentially private model training with stochastic gradient descent under learning rate scheduling and correlated noise. Although correlated noise, in particular via matrix factorizations, has been shown to improve accuracy, prior theoretical work focused primarily on the prefix-sum workload. That workload assumes a constant learning rate, whereas in practice learning rate schedules are widely used to accelerate training and improve convergence. We close this gap by deriving general upper and lower bounds for a broad class of learning rate schedules in both single- and multi-epoch settings. Building on these results, we propose a learning-rate-aware factorization that achieves improvements over prefix-sum factorizations under both MaxSE and MeanSE error metrics. Our theoretical analysis yields memory-efficient constructions suitable for practical deployment, and experiments on CIFAR-10 and IMDB datasets confirm that schedule-aware factorizations improve accuracy in private training.
Authors: Radman Rakhshandehroo, Daniel Coombs
Abstract: We present ContagionRL, a Gymnasium-compatible reinforcement learning platform specifically designed for systematic reward engineering in spatial epidemic simulations. Unlike traditional agent-based models that rely on fixed behavioral rules, our platform enables rigorous evaluation of how reward function design affects learned survival strategies across diverse epidemic scenarios. ContagionRL integrates a spatial SIRS+D epidemiological model with configurable environmental parameters, allowing researchers to stress-test reward functions under varying conditions including limited observability, different movement patterns, and heterogeneous population dynamics. We evaluate five distinct reward designs, ranging from sparse survival bonuses to a novel potential field approach, across multiple RL algorithms (PPO, SAC, A2C). Through systematic ablation studies, we identify that directional guidance and explicit adherence incentives are critical components for robust policy learning. Our comprehensive evaluation across varying infection rates, grid sizes, visibility constraints, and movement patterns reveals that reward function choice dramatically impacts agent behavior and survival outcomes. Agents trained with our potential field reward consistently achieve superior performance, learning maximal adherence to non-pharmaceutical interventions while developing sophisticated spatial avoidance strategies. The platform's modular design enables systematic exploration of reward-behavior relationships, addressing a knowledge gap in models of this type where reward engineering has received limited attention. ContagionRL is an effective platform for studying adaptive behavioral responses in epidemic contexts and highlight the importance of reward design, information structure, and environmental predictability in learning.
Authors: Meng Ding, Mingxi Lei, Shaopeng Fu, Shaowei Wang, Di Wang, Jinhui Xu
Abstract: Differentially private Stochastic Gradient Descent (DP-SGD) has become integral to privacy-preserving machine learning, ensuring robust privacy guarantees in sensitive domains. Despite notable empirical advances leveraging features from non-private, pre-trained models to enhance DP-SGD training, a theoretical understanding of feature dynamics in private learning remains underexplored. This paper presents the first theoretical framework to analyze private training through a feature learning perspective. Building on the multi-patch data structure from prior work, our analysis distinguishes between label-dependent feature signals and label-independent noise, a critical aspect overlooked by existing analyses in the DP community. Employing a two-layer CNN with polynomial ReLU activation, we theoretically characterize both feature signal learning and data noise memorization in private training via noisy gradient descent. Our findings reveal that (1) Effective private signal learning requires a higher signal-to-noise ratio (SNR) compared to non-private training, and (2) When data noise memorization occurs in non-private learning, it will also occur in private learning, leading to poor generalization despite small training loss. Our findings highlight the challenges of private learning and prove the benefit of feature enhancement to improve SNR. Experiments on synthetic and real-world datasets also validate our theoretical findings.
Authors: Thong Bach, Thanh Nguyen-Tang, Dung Nguyen, Thao Minh Le, Truyen Tran
Abstract: Fine-tuning Large Language Models (LLMs) for downstream tasks often compromises safety alignment, even when using parameter-efficient methods like LoRA. In this work, we uncover a notable property: fine-tuned models preserve the geometric structure of their loss landscapes concerning harmful content, regardless of the fine-tuning method employed. This suggests that safety behaviors are not erased but shifted to less influential regions of the parameter space. Building on this insight, we propose a curvature-aware alignment restoration method that leverages influence functions and second-order optimization to selectively increase loss on harmful inputs while preserving task performance. By navigating the shared geometry between base and fine-tuned models, our method discourages unsafe outputs while preserving task-relevant performance, avoiding full reversion and enabling precise, low-impact updates. Extensive evaluations across multiple model families and adversarial settings show that our approach efficiently reduces harmful responses while maintaining or even improving utility and few-shot learning performance.
Authors: Maximilien Dreveton, Matthias Grossglauser, Daichi Kuroda, Patrick Thiran
Abstract: Hierarchical clustering seeks to uncover nested structures in data by constructing a tree of clusters, where deeper levels reveal finer-grained relationships. Traditional methods, including linkage approaches, face three major limitations: (i) they always return a hierarchy, even if none exists, (ii) they are restricted to binary trees, even if the true hierarchy is non-binary, and (iii) they are highly sensitive to the choice of linkage function. In this paper, we address these issues by introducing the notion of a valid hierarchy and defining a partial order over the set of valid hierarchies. We prove the existence of a finest valid hierarchy, that is, the hierarchy that encodes the maximum information consistent with the similarity structure of the data set. In particular, the finest valid hierarchy is not constrained to binary structures and, when no hierarchical relationships exist, collapses to a star tree. We propose a simple two-step algorithm that first constructs a binary tree via a linkage method and then prunes it to enforce validity. We establish necessary and sufficient conditions on the linkage function under which this procedure exactly recovers the finest valid hierarchy, and we show that all linkage functions satisfying these conditions yield the same hierarchy after pruning. Notably, classical linkage rules such as single, complete, and average satisfy these conditions, whereas Ward's linkage fails to do so.
Authors: Md Akil Raihan Iftee, Syed Md. Ahnaf Hasan, Mir Sazzat Hossain, Rakibul Hasan Rajib, Amin Ahsan Ali, AKM Mahbubur Rahman, Sajib Mistry, Monowar Bhuyan
Abstract: Test-time adaptation (TTA) in federated learning (FL) is crucial for handling unseen data distributions across clients, particularly when faced with domain shifts and skewed class distributions. Class Imbalance (CI) remains a fundamental challenge in FL, where rare but critical classes are often severely underrepresented in individual client datasets. Although prior work has addressed CI during training through reliable aggregation and local class distribution alignment, these methods typically rely on access to labeled data or coordination among clients, and none address class unsupervised adaptation to dynamic domains or distribution shifts at inference time under federated CI constraints. Revealing the failure of state-of-the-art TTA in federated client adaptation in CI scenario, we propose pFedBBN,a personalized federated test-time adaptation framework that employs balanced batch normalization (BBN) during local client adaptation to mitigate prediction bias by treating all classes equally, while also enabling client collaboration guided by BBN similarity, ensuring that clients with similar balanced representations reinforce each other and that adaptation remains aligned with domain-specific characteristics. pFedBBN supports fully unsupervised local adaptation and introduces a class-aware model aggregation strategy that enables personalized inference without compromising privacy. It addresses both distribution shifts and class imbalance through balanced feature normalization and domain-aware collaboration, without requiring any labeled or raw data from clients. Extensive experiments across diverse baselines show that pFedBBN consistently enhances robustness and minority-class performance over state-of-the-art FL and TTA methods.
Authors: Dou Liu, Ying Long, Sophia Zuoqiu, Kaipeng Xie, Runze Yang, Di Liu, Kang Li, Yiting Lin, Hanyi Liu, Rong Yin, Tian Tang
Abstract: Large language models (LLMs) are increasingly adopted in clinical decision support, yet aligning them with the multifaceted reasoning pathways of real-world medicine remains a major challenge. Using more than 8,000 infertility treatment records, we systematically evaluate four alignment strategies: Supervised Fine-Tuning (SFT), Direct Preference Optimization (DPO), Group Relative Policy Optimization (GRPO), and In-Context Learning (ICL) through a dual-layer framework combining automatic benchmarks with blinded doctor-in-the-loop assessments. GRPO achieves the highest algorithmic accuracy across multiple decision layers, confirming the value of reinforcement-based optimization for structured prediction tasks. However, clinicians consistently prefer the SFT model, citing clearer reasoning processes (p = 0.035) and higher therapeutic feasibility (p = 0.019). In blinded pairwise comparisons, SFT attains the highest winning rate (51.2%), outperforming both GRPO (26.2%) and even physicians' original decisions (22.7%). These results reveal an alignment paradox: algorithmic improvements do not necessarily translate into higher clinical trust, and may diverge from human-centered preferences. Our findings highlight the need for alignment strategies that prioritize clinically interpretable and practically feasible reasoning, rather than solely optimizing decision-level accuracy.
Authors: Fulong Yao, Wanqing Zhao, Matthew Forshaw
Abstract: Predictive control approaches based on deep reinforcement learning (DRL) have gained significant attention in microgrid energy optimization. However, existing research often overlooks the issue of uncertainty stemming from imperfect prediction models, which can lead to suboptimal control strategies. This paper presents a new error temporal difference (ETD) algorithm for DRL to address the uncertainty in predictions,aiming to improve the performance of microgrid operations. First,a microgrid system integrated with renewable energy sources (RES) and energy storage systems (ESS), along with its Markov decision process (MDP), is modelled. Second, a predictive control approach based on a deep Q network (DQN) is presented, in which a weighted average algorithm and a new ETD algorithm are designed to quantify and address the prediction uncertainty, respectively. Finally, simulations on a realworld US dataset suggest that the developed ETD effectively improves the performance of DRL in optimizing microgrid operations.
Authors: Yegon Kim, Hyunsu Kim, Gyeonghoon Ko, Juho Lee
Abstract: Accurately solving partial differential equations (PDEs) is critical to understanding complex scientific and engineering phenomena, yet traditional numerical solvers are computationally expensive. Surrogate models offer a more efficient alternative, but their development is hindered by the cost of generating sufficient training data from numerical solvers. In this paper, we present a novel framework for active learning (AL) in PDE surrogate modeling that reduces this cost. Unlike the existing AL methods for PDEs that always acquire entire PDE trajectories, our approach strategically generates only the most important time steps with the numerical solver, while employing the surrogate model to approximate the remaining steps. This dramatically reduces the cost incurred by each trajectory and thus allows the active learning algorithm to try out a more diverse set of trajectories given the same budget. To accommodate this novel framework, we develop an acquisition function that estimates the utility of a set of time steps by approximating its resulting variance reduction. We demonstrate the effectiveness of our method on several benchmark PDEs, including the Burgers' equation, Korteweg-De Vries equation, Kuramoto-Sivashinsky equation, the incompressible Navier-Stokes equation, and the compressible Navier-Stokes equation. Experiments show that our approach improves performance by large margins over the best existing method. Our method not only reduces average error but also the 99\%, 95\%, and 50\% quantiles of error, which is rare for an AL algorithm. All in all, our approach offers a data-efficient solution to surrogate modeling for PDEs.
Authors: Junrui Zhang, Xinyu Zhao, Jie Peng, Chenjie Wang, Jianmin Ji, Tianlong Chen
Abstract: Multimodal learning has shown significant superiority on various tasks by integrating multiple modalities. However, the interdependencies among modalities increase the susceptibility of multimodal models to adversarial attacks. Existing methods mainly focus on attacks on specific modalities or indiscriminately attack all modalities. In this paper, we find that these approaches ignore the differences between modalities in their contribution to final robustness, resulting in suboptimal robustness performance. To bridge this gap, we introduce Vulnerability-Aware Robust Multimodal Adversarial Training (VARMAT), a probe-in-training adversarial training method that improves multimodal robustness by identifying the vulnerability of each modality. To be specific, VARMAT first explicitly quantifies the vulnerability of each modality, grounded in a first-order approximation of the attack objective (Probe). Then, we propose a targeted regularization term that penalizes modalities with high vulnerability, guiding robust learning while maintaining task accuracy (Training). We demonstrate the enhanced robustness of our method across multiple multimodal datasets involving diverse modalities. Finally, we achieve {12.73%, 22.21%, 11.19%} robustness improvement on three multimodal datasets, revealing a significant blind spot in multimodal adversarial training.
Authors: Randy Davila, Beyzanur Ispir
Abstract: We investigate machine learning approaches to approximating the \emph{domination number} of graphs, the minimum size of a dominating set. Exact computation of this parameter is NP-hard, restricting classical methods to small instances. We compare two neural paradigms: Convolutional Neural Networks (CNNs), which operate on adjacency matrix representations, and Graph Neural Networks (GNNs), which learn directly from graph structure through message passing. Across 2,000 random graphs with up to 64 vertices, GNNs achieve markedly higher accuracy ($R^2=0.987$, MAE $=0.372$) than CNNs ($R^2=0.955$, MAE $=0.500$). Both models offer substantial speedups over exact solvers, with GNNs delivering more than $200\times$ acceleration while retaining near-perfect fidelity. Our results position GNNs as a practical surrogate for combinatorial graph invariants, with implications for scalable graph optimization and mathematical discovery.
Authors: Martin Schuck, Alexander von Rohr, Angela P. Schoellig
Abstract: Three-dimensional rigid-body transforms, i.e. rotations and translations, are central to modern differentiable machine learning pipelines in robotics, vision, and simulation. However, numerically robust and mathematically correct implementations, particularly on SO(3), are error-prone due to issues such as axis conventions, normalizations, composition consistency and subtle errors that only appear in edge cases. SciPy's spatial.transform module is a rigorously tested Python implementation. However, it historically only supported NumPy, limiting adoption in GPU-accelerated and autodiff-based workflows. We present a complete overhaul of SciPy's spatial.transform functionality that makes it compatible with any array library implementing the Python array API, including JAX, PyTorch, and CuPy. The revised implementation preserves the established SciPy interface while enabling GPU/TPU execution, JIT compilation, vectorized batching, and differentiation via native autodiff of the chosen backend. We demonstrate how this foundation supports differentiable scientific computing through two case studies: (i) scalability of 3D transforms and rotations and (ii) a JAX drone simulation that leverages SciPy's Rotation for accurate integration of rotational dynamics. Our contributions have been merged into SciPy main and will ship in the next release, providing a framework-agnostic, production-grade basis for 3D spatial math in differentiable systems and ML.
Authors: Abdelrahman Abdelmotlb, Abdallah Taman, Sherif Mostafa, Moustafa Youssef
Abstract: Indoor localization systems commonly rely on fingerprinting, which requires extensive survey efforts to obtain location-tagged signal data, limiting their real-world deployability. Recent approaches that attempt to reduce this overhead either suffer from low representation ability, mode collapse issues, or require the effort of collecting data at all target locations. We present LocaGen, a novel spatial augmentation framework that significantly reduces fingerprinting overhead by generating high-quality synthetic data at completely unseen locations. LocaGen leverages a conditional diffusion model guided by a novel spatially aware optimization strategy to synthesize realistic fingerprints at unseen locations using only a subset of seen locations. To further improve our diffusion model performance, LocaGen augments seen location data based on domain-specific heuristics and strategically selects the seen and unseen locations using a novel density-based approach that ensures robust coverage. Our extensive evaluation on a real-world WiFi fingerprinting dataset shows that LocaGen maintains the same localization accuracy even with 30% of the locations unseen and achieves up to 28% improvement in accuracy over state-of-the-art augmentation methods.
Authors: Mengni Jia, Mengyu Zhou, Yihao Liu, Xiaoxi Jiang, Guanjun Jiang
Abstract: Masked diffusion models (MDMs) are a promising alternative to autoregressive models (ARMs), but they suffer from inherently much higher training variance. High variance leads to noisier gradient estimates and unstable optimization, so even equally strong pretrained MDMs and ARMs that are competitive at initialization often diverge after task-specific training, with MDMs falling far behind. There has been no theoretical explanation or systematic solution. We derive the first decomposition of MDM training variance into three sources: (A) masking pattern noise, (B) masking rate noise, and (C) data noise, while ARMs are only affected by (C). This explains the fundamental training gap. Building on this foundation, we design six variance-reduction methods, including two core methods: (1) P-POTS, a Pareto-optimal t sampler that minimizes training variance by sampling harder t values more often with appropriately smaller update steps, and (2) MIRROR, which uses negatively correlated samples to reduce (A). Experiments show that compared to standard MDM training, our methods improve accuracy by 7-8% on complex reasoning tasks, while simultaneously reducing run-to-run variability to near ARM levels, substantially narrowing the gap with strong ARM baselines; in most settings, even the best baseline runs remain below the worst run of our method.
Authors: Shrenik Zinage, Peter Meckl, Ilias Bilionis
Abstract: Accurate prediction of engine-out NOx is essential for meeting stringent emissions regulations and optimizing engine performance. Traditional approaches rely on models trained on data from a small number of engines, which can be insufficient in generalizing across an entire population of engines due to sensor biases and variations in input conditions. In real world applications, these models require tuning or calibration to maintain acceptable error tolerance when applied to other engines. This highlights the need for models that can adapt with minimal adjustments to accommodate engine-to-engine variability and sensor discrepancies. While previous studies have explored machine learning methods for predicting engine-out NOx, these approaches often fail to generalize reliably across different engines and operating environments. To address these issues, we propose a Bayesian calibration framework that combines Gaussian processes with approximate Bayesian computation to infer and correct sensor biases. Starting with a pre-trained model developed using nominal engine data, our method identifies engine specific sensor biases and recalibrates predictions accordingly. By incorporating these inferred biases, our approach generates posterior predictive distributions for engine-out NOx on unseen test data, achieving high accuracy without retraining the model. Our results demonstrate that this transferable modeling approach significantly improves the accuracy of predictions compared to conventional non-adaptive GP models, effectively addressing engine-to-engine variability and improving model generalizability.
Authors: Adam Callaghan, Karl Mason, Patrick Mannion
Abstract: This paper addresses a critical gap in Multi-Objective Multi-Agent Reinforcement Learning (MOMARL) by introducing the first dedicated inner-loop actor-critic framework for continuous state and action spaces: Multi-Objective Multi-Agent Actor-Critic (MOMA-AC). Building on single-objective, single-agent algorithms, we instantiate this framework with Twin Delayed Deep Deterministic Policy Gradient (TD3) and Deep Deterministic Policy Gradient (DDPG), yielding MOMA-TD3 and MOMA-DDPG. The framework combines a multi-headed actor network, a centralised critic, and an objective preference-conditioning architecture, enabling a single neural network to encode the Pareto front of optimal trade-off policies for all agents across conflicting objectives in a continuous MOMARL setting. We also outline a natural test suite for continuous MOMARL by combining a pre-existing multi-agent single-objective physics simulator with its multi-objective single-agent counterpart. Evaluating cooperative locomotion tasks in this suite, we show that our framework achieves statistically significant improvements in expected utility and hypervolume relative to outer-loop and independent training baselines, while demonstrating stable scalability as the number of agents increases. These results establish our framework as a foundational step towards robust, scalable multi-objective policy learning in continuous multi-agent domains.
Authors: Pranav Subbaraman, Fang Sun, Yue Yao, Huacong Tang, Xiao Luo, Yizhou Sun
Abstract: Modern web applications--from real-time content recommendation and dynamic pricing to CDN optimization--increasingly rely on time-series forecasting to deliver personalized experiences to billions of users. Large-scale Transformer-based models have achieved state-of-the-art performance in time-series forecasting but suffer from high computational costs, limiting their deployment in latency-sensitive web applications. To address this challenge, we propose a general inference acceleration framework that adapts speculative decoding to autoregressive time-series models. Our approach employs a smaller "draft" model to propose future time-series patches, which are then verified in parallel by a larger "target" model, reducing the number of sequential forward passes required. We address key technical challenges in adapting this technique from discrete language tokens to continuous time-series distributions, including the design of acceptance criteria for multivariate Gaussian patches and practical variants that balance efficiency with accuracy. Through experiments on time series forecasting benchmarks relevant to web applications, we demonstrate significant inference speedups while maintaining competitive accuracy. The framework requires no architectural modifications to existing foundation models, making it immediately applicable to accelerate deployed time-series forecasting systems. Our implementation can be found at https://github.com/PranavSubbaraman/STRIDE
Authors: Matthijs van der Lende, Juan Cardenas-Cartagena
Abstract: Uncertainty estimation for Reinforcement Learning (RL) is a critical component in control tasks where agents must balance safe exploration and efficient learning. While deep neural networks have enabled breakthroughs in RL, they often lack calibrated uncertainty estimates. We introduce Deep Gaussian Process Proximal Policy Optimization (GPPO), a scalable, model-free actor-critic algorithm that leverages Deep Gaussian Processes (DGPs) to approximate both the policy and value function. GPPO maintains competitive performance with respect to Proximal Policy Optimization on standard high-dimensional continuous control benchmarks while providing well-calibrated uncertainty estimates that can inform safer and more effective exploration.
Authors: Douglas Spencer, Samual Nicholls, Michele Caprio
Abstract: Quantum machine learning seeks to leverage quantum computers to improve upon classical machine learning algorithms. Currently, robust uncertainty quantification methods remain underdeveloped in the quantum domain, despite the critical need for reliable and trustworthy predictions. Recent work has introduced quantum conformal prediction, a framework that produces prediction sets that are guaranteed to contain the true outcome with user-specified probability. In this work, we formalise how the time-varying noise inherent in quantum processors can undermine conformal guarantees, even when calibration and test data are exchangeable. To address this challenge, we draw on Adaptive Conformal Inference, a method which maintains validity over time via repeated recalibration. We introduce Adaptive Quantum Conformal Prediction (AQCP), an algorithm which preserves asymptotic average coverage guarantees under arbitrary hardware noise conditions. Empirical studies on an IBM quantum processor demonstrate that AQCP achieves target coverage levels and exhibits greater stability than quantum conformal prediction.
Authors: Sajad Khodadadian, Mehrdad Moharrami
Abstract: We derive instance-dependent tail bounds for the regret of optimism-based reinforcement learning in finite-horizon tabular Markov decision processes with unknown transition dynamics. Focusing on a UCBVI-type algorithm, we characterize the tail distribution of the cumulative regret $R_K$ over $K$ episodes, rather than only its expectation or a single high-probability quantile. We analyze two natural exploration-bonus schedules: (i) a $K$-dependent scheme that explicitly incorporates the total number of episodes $K$, and (ii) a $K$-independent scheme that depends only on the current episode index. For both settings, we obtain an upper bound on $\Pr(R_K \ge x)$ that exhibits a distinctive two-regime structure: a sub-Gaussian tail starting from an instance-dependent scale $m_K$ up to a transition threshold, followed by a sub-Weibull tail beyond that point. We further derive corresponding instance-dependent bounds on the expected regret $\mathbb{E}[R_K]$. The proposed algorithm depends on a tuning parameter $\alpha$, which balances the expected regret and the range over which the regret exhibits a sub-Gaussian tail. To the best of our knowledge, our results provide one of the first comprehensive tail-regret guarantees for a standard optimistic algorithm in episodic reinforcement learning.
Authors: Wei Zhen Teoh
Abstract: Jointly forecasting trajectories of multiple interacting agents is a core challenge in sports analytics and other domains involving complex group dynamics. Accurate prediction enables realistic simulation and strategic understanding of gameplay evolution. Most existing models are evaluated solely on per-agent accuracy metrics (minADE, minFDE), which assess each agent independently on its best-of-k prediction. However these metrics overlook whether the model learns which predicted trajectories can jointly form a plausible multi-agent future. Many state-of-the-art models are designed and optimized primarily based on these metrics. As a result, they may underperform on joint predictions and also fail to generate coherent, interpretable multi-agent scenarios in team sports. We propose CausalTraj, a temporally causal, likelihood-based model that is built to generate jointly probable multi-agent trajectory forecasts. To better assess collective modeling capability, we emphasize joint metrics (minJADE, minJFDE) that measure joint accuracy across agents within the best generated scenario sample. Evaluated on the NBA SportVU, Basketball-U, and Football-U datasets, CausalTraj achieves competitive per-agent accuracy and the best recorded results on joint metrics, while yielding qualitatively coherent and realistic gameplay evolutions.
Authors: Yueqi Wang, Guang Lin
Abstract: Parametric PDEs power modern simulation, design, and digital-twin systems, yet their many-query workloads still hinge on repeatedly solving large finite-element systems. Existing operator-learning approaches accelerate this process but often rely on opaque learned trunks, require extensive labeled data, or break down when boundary and source data vary independently from physical parameters. We introduce RB-DeepONet, a hybrid operator-learning framework that fuses reduced-basis (RB) numerical structure with the branch-trunk architecture of DeepONet. The trunk is fixed to a rigorously constructed RB space generated offline via Greedy selection, granting physical interpretability, stability, and certified error control. The branch network predicts only RB coefficients and is trained label-free using a projected variational residual that targets the RB-Galerkin solution. For problems with independently varying loads or boundary conditions, we develop boundary and source modal encodings that compress exogenous data into low-dimensional coordinates while preserving accuracy. Combined with affine or empirical interpolation decompositions, RB-DeepONet achieves a strict offline-online split: all heavy lifting occurs offline, and online evaluation scales only with the RB dimension rather than the full mesh. We provide convergence guarantees separating RB approximation error from statistical learning error, and numerical experiments show that RB-DeepONet attains accuracy competitive with intrusive RB-Galerkin, POD-DeepONet, and FEONet while using dramatically fewer trainable parameters and achieving significant speedups. This establishes RB-DeepONet as an efficient, stable, and interpretable operator learner for large-scale parametric PDEs.
Authors: Ved Mohan, El Mehdi Er Raqabi, Pascal Van Hentenryck
Abstract: Ensuring that the right resource is available at the right location and time remains a major challenge for organizations operating large-scale logistics networks. The challenge comes from uneven demand patterns and the resulting asymmetric flow of resources across the arcs, which create persistent imbalances at the network nodes. Resource substitution among multiple, potentially composite and interchangeable, resource types is a cost-effective way to mitigate these imbalances. This leads to the resource substitution problem, which aims at determining the minimum number of resource substitutions from an initial assignment to minimize the overall network imbalance. In decentralized settings, achieving globally coordinated solutions becomes even more difficult. When substitution entails costs, effective prescriptions must also incorporate fairness and account for the individual preferences of schedulers. This paper presents a generic framework that combines operations research (OR) and machine learning (ML) to enable fair resource substitution in large networks. The OR component models and solves the resource substitution problem under a fairness lens. The ML component leverages historical data to learn schedulers' preferences, guide intelligent exploration of the decision space, and enhance computational efficiency by dynamically selecting the top-$\kappa$ resources for each arc in the network. The framework produces a portfolio of high-quality solutions from which schedulers can select satisfactory trade-offs. The proposed framework is applied to the network of one of the largest package delivery companies in the world, which serves as the primary motivation for this research. Computational results demonstrate substantial improvements over state-of-the-art methods, including an 80% reduction in model size and a 90% decrease in execution time while preserving optimality.
Authors: Jianqiao Zheng, Cameron Gordon, Yiping Ji, Hemanth Saratchandran, Simon Lucey
Abstract: Task-agnostic tabular foundation models such as TabPFN have achieved impressive performance on tabular learning tasks, yet the origins of their inductive biases remain poorly understood. In this work, we study TabPFN through the lens of signal reconstruction and provide the first frequency-based analysis of its in-context learning behavior. We show that TabPFN possesses a broader effective frequency capacity than standard ReLU-MLPs, even without hyperparameter tuning. Moreover, unlike MLPs whose spectra evolve primarily over training epochs, we find that TabPFN's spectral capacity adapts directly to the number of samples provided in-context, a phenomenon we term Spectral Adaptivity. We further demonstrate that positional encoding modulates TabPFN's frequency response, mirroring classical results in implicit neural representations. Finally, we show that these properties enable TabPFN to perform training-free and hyperparameter-free image denoising, illustrating its potential as a task-agnostic implicit model. Our analysis provides new insight into the structure and inductive biases of tabular foundation models and highlights their promise for broader signal reconstruction tasks.
Authors: Rui Peng, Ziru Liu, Lingyuan Ye, Yuxing Lu, Boxin Shi, Jinzhuo Wang
Abstract: Accurately modeling the relationship between perturbations, transcriptional responses, and phenotypic changes is essential for building an AI Virtual Cell (AIVC). However, existing methods typically constrained to modeling direct associations, such as Perturbation $\rightarrow$ RNA or Perturbation $\rightarrow$ Morphology, overlook the crucial causal link from RNA to morphology. To bridge this gap, we propose TRIDENT, a cascade generative framework that synthesizes realistic cellular morphology by conditioning on both the perturbation and the corresponding gene expression profile. To train and evaluate this task, we construct MorphoGene, a new dataset pairing L1000 gene expression with Cell Painting images for 98 compounds. TRIDENT significantly outperforms state-of-the-art approaches, achieving up to 7-fold improvement with strong generalization to unseen compounds. In a case study on docetaxel, we validate that RNA-guided synthesis accurately produces the corresponding phenotype. An ablation study further confirms that this RNA conditioning is essential for the model's high fidelity. By explicitly modeling transcriptome-phenome mapping, TRIDENT provides a powerful in silico tool and moves us closer to a predictive virtual cell.
Authors: Xiaoyu Wang, Xiaotian Li, Zhixiang Zhou, Chen Li, Yong Liu
Abstract: This paper revisits alternating low-rank updates for federated fine-tuning and examines their behavior in decentralized federated learning (DFL). While alternating the LoRA matrices has been shown to stabilize aggregation in centralized FL, extending this mechanism to decentralized, peer-to-peer communication introduces new challenges due to phase-state mismatch and block-wise divergence across clients. We introduce ADF-LoRA, which synchronizes the update of only one low-rank matrix per round and mixes both matrices to maintain more consistent parameter states under decentralized propagation. This design preserves the cross-term suppression effect of alternating updates while improving stability in serverless topologies. We provide a convergence analysis under standard smoothness assumptions and evaluate ADF-LoRA on multiple GLUE tasks. Experiments show that ADF-LoRA achieves faster and smoother convergence and delivers the highest average accuracy across tasks, outperforming existing LoRA variants in decentralized FL by a consistent margin.
Authors: Mengchun Zhang, Kateryna Shapovalenko, Yucheng Shao, Eddie Guo, Parusha Pradhan
Abstract: Neural decoding from electroencephalography (EEG) remains fundamentally limited by poor generalization to unseen subjects, driven by high inter-subject variability and the lack of large-scale datasets to model it effectively. Existing methods often rely on synthetic subject generation or simplistic data augmentation, but these strategies fail to scale or generalize reliably. We introduce \textit{MultiDiffNet}, a diffusion-based framework that bypasses generative augmentation entirely by learning a compact latent space optimized for multiple objectives. We decode directly from this space and achieve state-of-the-art generalization across various neural decoding tasks using subject and session disjoint evaluation. We also curate and release a unified benchmark suite spanning four EEG decoding tasks of increasing complexity (SSVEP, Motor Imagery, P300, and Imagined Speech) and an evaluation protocol that addresses inconsistent split practices in prior EEG research. Finally, we develop a statistical reporting framework tailored for low-trial EEG settings. Our work provides a reproducible and open-source foundation for subject-agnostic EEG decoding in real-world BCI systems.
Authors: Kiran Thorat, Hongwu Peng, Yuebo Luo, Xi Xie, Shaoyi Huang, Amit Hasan, Jiahui Zhao, Yingjie Li, Zhijie Shi, Cunxi Yu, Caiwen Ding
Abstract: Traditional verification methods in chip design are highly time-consuming and computationally demanding, especially for large scale circuits. Graph neural networks (GNNs) have gained popularity as a potential solution to improve verification efficiency. However, there lacks a joint framework that considers all chip design domain knowledge, graph theory, and GPU kernel designs. To address this challenge, we introduce GROOT, an algorithm and system co-design framework that contains chip design domain knowledge and redesigned GPU kernels, to improve verification efficiency. More specifically, we create node features utilizing the circuit node types and the polarity of the connections between the input edges to nodes in And-Inverter Graphs (AIGs). We utilize a graph partitioning algorithm to divide the large graphs into smaller sub-graphs for fast GPU processing and develop a graph edge re-growth algorithm to recover verification accuracy. We carefully profile the EDA graph workloads and observe the uniqueness of their polarized distribution of high degree (HD) nodes and low degree (LD) nodes. We redesign two GPU kernels (HD-kernel and LD-kernel), to fit the EDA graph learning workload on a single GPU. We compare the results with state-of-the-art (SOTA) methods: GAMORA, a GNN-based approach, and the traditional ABC framework. Results show that GROOT achieves a significant reduction in memory footprint (59.38 %), with high accuracy (99.96%) for a very large CSA multiplier, i.e. 1,024 bits with a batch size of 16, which consists of 134,103,040 nodes and 268,140,544 edges. We compare GROOT with GPU-based GPU Kernel designs SOTAs such as cuSPARSE, MergePath-SpMM, and GNNAdvisor. We achieve up to 1.104x, 5.796x, and 1.469x improvement in runtime, respectively.
Authors: Rui Ding, Rodrigo Pires Ferreira, Yuxin Chen, Junhong Chen
Abstract: We present a long-horizon, hierarchical deep research (DR) agent designed for complex materials and device discovery problems that exceed the scope of existing Machine Learning (ML) surrogates and closed-source commercial agents. Our framework instantiates a locally deployable DR instance that integrates local retrieval-augmented generation with large language model reasoners, enhanced by a Deep Tree of Research (DToR) mechanism that adaptively expands and prunes research branches to maximize coverage, depth, and coherence. We systematically evaluate across 27 nanomaterials/device topics using a large language model (LLM)-as-judge rubric with five web-enabled state-of-the-art models as jurors. In addition, we conduct dry-lab validations on five representative tasks, where human experts use domain simulations (e.g., density functional theory, DFT) to verify whether DR-agent proposals are actionable. Results show that our DR agent produces reports with quality comparable to--and often exceeding--those of commercial systems (ChatGPT-5-thinking/o3/o4-mini-high Deep Research) at a substantially lower cost, while enabling on-prem integration with local data and tools.
Authors: Zihao Yao, Jiankai Zuo, Yaying Zhang
Abstract: Time series data plays a pivotal role in a wide variety of fields but faces challenges related to privacy concerns. Recently, synthesizing data via diffusion models is viewed as a promising solution. However, existing methods still struggle to capture long-range temporal dependencies and complex channel interrelations. In this research, we aim to utilize the sequence modeling capability of a State Space Model called Mamba to extend its applicability to time series data generation. We firstly analyze the core limitations in State Space Model, namely the lack of consideration for correlated temporal lag and channel permutation. Building upon the insight, we propose Lag Fusion Mamba and Permutation Scanning Mamba, which enhance the model's ability to discern significant patterns during the denoising process. Theoretical analysis reveals that both variants exhibit a unified matrix multiplication framework with the original Mamba, offering a deeper understanding of our method. Finally, we integrate two variants and introduce Diffusion Mamba for Time Series (DiM-TS), a high-quality time series generation model that better preserves the temporal periodicity and inter-channel correlations. Comprehensive experiments on public datasets demonstrate the superiority of DiM-TS in generating realistic time series while preserving diverse properties of data.
Authors: Yuting Gao, Wang Lan, Hengyuan Zhao, Linjiang Huang, Si Liu, Qingpei Guo
Abstract: Multimodal Mixture-of-Experts (MoE) models offer a promising path toward scalable and efficient large vision-language systems. However, existing approaches rely on rigid routing strategies (typically activating a fixed number of experts per token) ignoring the inherent heterogeneity in semantic importance across modalities. This leads to suboptimal compute allocation, where redundant tokens consume as many resources as critical ones. To address this, we propose AnyExperts, a novel on-demand, budget-aware dynamic routing framework that allocates a variable total number of expert slots per token based on its semantic importance. Crucially, to prevent uncontrolled compute growth, the total slots per token are constrained within a fixed range, and each slot is filled by either a real expert or a virtual expert, with the virtual share capped at a small maximum (e.g., 20%). The model then adaptively balances the real-to-virtual ratio per token, assigning more real experts to semantically rich regions and relying more on virtual experts for redundant content. Evaluated across diverse tasks in visual understanding, audio understanding, and NLP understanding, AnyExperts improves performance under the same compute budget. Notably, on general image/video tasks, it achieves comparable accuracy with 40% fewer real expert activations; on text-dense tasks (OCR and NLP), it maintains performance while reducing real expert usage by 10%. These results demonstrate that fine-grained, importance-driven expert allocation significantly enhances both the efficiency and effectiveness of multimodal MoE models.
Authors: Sohini Roychowdhury, Adam Holeman, Mohammad Amin, Feng Wei, Bhaskar Mehta, Srihari Reddy
Abstract: For online ad-recommendation systems, processing complete user-ad-engagement histories is both computationally intensive and noise-prone. We introduce Dynamix, a scalable, personalized sequence exploration framework that optimizes event history processing using maximum relevance principles and self-supervised learning through Event Based Features (EBFs). Dynamix categorizes users-engagements at session and surface-levels by leveraging correlations between dwell-times and ad-conversion events. This enables targeted, event-level feature removal and selective feature boosting for certain user-segments, thereby yielding training and inference efficiency wins without sacrificing engaging ad-prediction accuracy. While, dynamic resource removal increases training and inference throughput by 1.15% and 1.8%, respectively, dynamic feature boosting provides 0.033 NE gains while boosting inference QPS by 4.2% over baseline models. These results demonstrate that Dynamix achieves significant cost efficiency and performance improvements in online user-sequence based recommendation models. Self-supervised user-segmentation and resource exploration can further boost complex feature selection strategies while optimizing for workflow and compute resources.
Authors: Chibuike E. Ugwu, Roschelle Fritz, Diane J. Cook, Janardhan Rao Doppa
Abstract: Urinary tract infection (UTI) flare-ups pose a significant health risk for older adults with chronic conditions. These infections often go unnoticed until they become severe, making early detection through innovative smart home technologies crucial. Traditional machine learning (ML) approaches relying on simple binary classification for UTI detection offer limited utility to nurses and practitioners as they lack insight into prediction uncertainty, hindering informed clinical decision-making. This paper presents a clinician-in-the-loop (CIL) smart home system that leverages ambient sensor data to extract meaningful behavioral markers, train robust predictive ML models, and calibrate them to enable uncertainty-aware decision support. The system incorporates a statistically valid uncertainty quantification method called Conformal-Calibrated Interval (CCI), which quantifies uncertainty and abstains from making predictions ("I don't know") when the ML model's confidence is low. Evaluated on real-world data from eight smart homes, our method outperforms baseline methods in recall and other classification metrics while maintaining the lowest abstention proportion and interval width. A survey of 42 nurses confirms that our system's outputs are valuable for guiding clinical decision-making, underscoring their practical utility in improving informed decisions and effectively managing UTIs and other condition flare-ups in older adults.
Authors: Kaito Shiku, Kazuya Nishimura, Shinnosuke Matsuo, Yasuhiro Kojima, Ryoma Bise
Abstract: Spatial transcriptomics (ST) is a novel technology that enables the observation of gene expression at the resolution of individual spots within pathological tissues. ST quantifies the expression of tens of thousands of genes in a tissue section; however, heavy observational noise is often introduced during measurement. In prior studies, to ensure meaningful assessment, both training and evaluation have been restricted to only a small subset of highly variable genes, and genes outside this subset have also been excluded from the training process. However, since there are likely co-expression relationships between genes, low-expression genes may still contribute to the estimation of the evaluation target. In this paper, we propose $Auxiliary \ Gene \ Learning$ (AGL) that utilizes the benefit of the ignored genes by reformulating their expression estimation as auxiliary tasks and training them jointly with the primary tasks. To effectively leverage auxiliary genes, we must select a subset of auxiliary genes that positively influence the prediction of the target genes. However, this is a challenging optimization problem due to the vast number of possible combinations. To overcome this challenge, we propose Prior-Knowledge-Based Differentiable Top-$k$ Gene Selection via Bi-level Optimization (DkGSB), a method that ranks genes by leveraging prior knowledge and relaxes the combinatorial selection problem into a differentiable top-$k$ selection problem. The experiments confirm the effectiveness of incorporating auxiliary genes and show that the proposed method outperforms conventional auxiliary task learning approaches.
Authors: Chinmay Karkar, Paras Chopra
Abstract: Large Language Models (LLMs) demonstrate partial forecasting competence across social, political, and economic events. Yet, their predictive ability varies sharply with domain structure and prompt framing. We investigate how forecasting performance varies with different model families on real-world questions about events that happened beyond the model cutoff date. We analyze how context, question type, and external knowledge affect accuracy and calibration, and how adding factual news context modifies belief formation and failure modes. Our results show that forecasting ability is highly variable as it depends on what, and how, we ask.
Authors: Van Thuy Hoang, O-Joun Lee
Abstract: Recent pre-training strategies for molecular graphs have attempted to use 2D and 3D molecular views as both inputs and self-supervised signals, primarily aligning graph-level representations. However, existing studies remain limited in addressing two main challenges of multi-view molecular learning: (1) discovering shared information between two views while diminishing view-specific information and (2) identifying and aligning important substructures, e.g., functional groups, which are crucial for enhancing cross-view consistency and model expressiveness. To solve these challenges, we propose a Multi-View Conditional Information Bottleneck framework, called MVCIB, for pre-training graph neural networks on 2D and 3D molecular structures in a self-supervised setting. Our idea is to discover the shared information while minimizing irrelevant features from each view under the MVCIB principle, which uses one view as a contextual condition to guide the representation learning of its counterpart. To enhance semantic and structural consistency across views, we utilize key substructures, e.g., functional groups and ego-networks, as anchors between the two views. Then, we propose a cross-attention mechanism that captures fine-grained correlations between the substructures to achieve subgraph alignment across views. Extensive experiments in four molecular domains demonstrated that MVCIB consistently outperforms baselines in both predictive performance and interpretability. Moreover, MVCIB achieved the 3d Weisfeiler-Lehman expressiveness power to distinguish not only non-isomorphic graphs but also different 3D geometries that share identical 2D connectivity, such as isomers.
Authors: Yoshihiro Maruyama
Abstract: We develop a theory of category-equivariant neural networks (CENNs) that unifies group/groupoid-equivariant networks, poset/lattice-equivariant networks, graph and sheaf neural networks. Equivariance is formulated as naturality in a topological category with Radon measures, formulating linear and nonlinear layers in the categorical setup. We prove the equivariant universal approximation theorem in the general setting: the class of finite-depth CENNs is dense in the space of continuous equivariant transformations. We instantiate the framework for groups/groupoids, posets/lattices, graphs and cellular sheaves, deriving universal approximation theorems for them in a systematic manner. Categorical equivariant deep learning thus allows us to expand the horizons of equivariant deep learning beyond group actions, encompassing not only geometric symmetries but also contextual and compositional symmetries.
Authors: Duncan Stothers, Ben Stothers, Emily Schaeffer, Kishore Mulpuri
Abstract: We study an ultrasound-first, radiation-preserving policy for developmental dysplasia of the hip (DDH) that requests a radiograph only when needed. We (i) pretrain modality-specific encoders (ResNet-18) with SimSiam on a large unlabelled registry (37186 ultrasound; 19546 radiographs), (ii) freeze the backbones and fit small, measurement-faithful heads on DDH relevant landmarks and measurements (iii) calibrate a one sided conformal deferral rule on ultrasound predictions that provides finite sample coverage guarantees under exchangeability, using a held-out calibration set. Ultrasound heads predict Graf alpha, beta, and femoral head coverage; X-ray heads predict acetabular index (AI), center-edge (CE) angle and IHDI grade. On our held out labeled evaluation set, ultrasound measurement error is modest (e.g., alpha MAE ~= 9.7 degrees, coverage MAE ~= 14.0%), while radiographic probes achieve AI and CE MAEs of ~= 7.6 degrees and ~= 8.9 degrees, respectively. The calibrated US-only policy is explored across rule families (alpha-only; alpha OR coverage; alpha AND coverage), uncertainty inflation factors, and per-utility trade-offs using decision-curve analysis. Conservative settings yield high coverage with near-zero US-only rates; permissive settings (e.g., alpha OR coverage at larger deltas) achieve non-zero US-only throughput with expected coverage tradeoffs. The result is a simple, reproducible pipeline that turns limited labels into interpretable measurements and tunable selective imaging curves suitable for clinical handoff and future external validation.
Authors: Md Akil Raihan Iftee, Mir Sazzat Hossain, Rakibul Hasan Rajib, Tariq Iqbal, Md Mofijul Islam, M Ashraful Amin, Amin Ahsan Ali, AKM Mahbubur Rahman
Abstract: Continual Test-Time Adaptation (CTTA) is crucial for deploying models in real-world applications with unseen, evolving target domains. Existing CTTA methods, however, often rely on source data or prototypes, limiting their applicability in privacy-sensitive and resource-constrained settings. Additionally, these methods suffer from long-term forgetting, which degrades performance on previously encountered domains as target domains shift. To address these challenges, we propose SloMo-Fast, a source-free, dual-teacher CTTA framework designed for enhanced adaptability and generalization. It includes two complementary teachers: the Slow-Teacher, which exhibits slow forgetting and retains long-term knowledge of previously encountered domains to ensure robust generalization, and the Fast-Teacher rapidly adapts to new domains while accumulating and integrating knowledge across them. This framework preserves knowledge of past domains and adapts efficiently to new ones. We also introduce Cyclic Test-Time Adaptation (Cyclic-TTA), a novel CTTA benchmark that simulates recurring domain shifts. Our extensive experiments demonstrate that SloMo-Fast consistently outperforms state-of-the-art methods across Cyclic-TTA, as well as ten other CTTA settings, highlighting its ability to both adapt and generalize across evolving and revisited domains.
Authors: Winfried van den Dool, Maksim Zhdanov, Yuki M. Asano, Max Welling
Abstract: Physical systems commonly exhibit spatially varying complexity, presenting a significant challenge for neural PDE solvers. While Graph Neural Networks can handle the irregular meshes required for complex geometries and boundary conditions, they still apply uniform computational effort across all nodes regardless of the underlying physics complexity. This leads to inefficient resource allocation where computationally simple regions receive the same treatment as complex phenomena. We address this challenge by introducing Adaptive Mesh Quantization: spatially adaptive quantization across mesh node, edge, and cluster features, dynamically adjusting the bit-width used by a quantized model. We propose an adaptive bit-width allocation strategy driven by a lightweight auxiliary model that identifies high-loss regions in the input mesh. This enables dynamic resource distribution in the main model, where regions of higher difficulty are allocated increased bit-width, optimizing computational resource utilization. We demonstrate our framework's effectiveness by integrating it with two state-of-the-art models, MP-PDE and GraphViT, to evaluate performance across multiple tasks: 2D Darcy flow, large-scale unsteady fluid dynamics in 2D, steady-state Navier-Stokes simulations in 3D, and a 2D hyper-elasticity problem. Our framework demonstrates consistent Pareto improvements over uniformly quantized baselines, yielding up to 50% improvements in performance at the same cost.
Authors: Sai Puppala, Ismail Hossain, Md Jahangir Alam, Sajedul Talukder
Abstract: Our study presents a multifaceted approach to enhancing user interaction and content relevance in social media platforms through a federated learning framework. We introduce personalized LLM Federated Learning and Context-based Social Media models. In our framework, multiple client entities receive a foundational GPT model, which is fine-tuned using locally collected social media data while ensuring data privacy through federated aggregation. Key modules focus on categorizing user-generated content, computing user persona scores, and identifying relevant posts from friends networks. By integrating a sophisticated social engagement quantification method with matrix factorization techniques, our system delivers real-time personalized content suggestions tailored to individual preferences. Furthermore, an adaptive feedback loop, alongside a robust readability scoring algorithm, significantly enhances the quality and relevance of the content presented to users. This comprehensive solution not only addresses the challenges of content filtering and recommendation but also fosters a more engaging social media experience while safeguarding user privacy, setting a new standard for personalized interactions in digital platforms.
Authors: Ange-Cl\'ement Akazan, Issa Karambal, Jean Medard Ngnotchouye, Abebe Geletu Selassie. W
Abstract: Physics-informed neural networks (PINNs) typically minimize average residuals, which can conceal large, localized errors. We propose Residual Risk-Aware Physics-Informed Neural Networks PINNs (RRaPINNs), a single-network framework that optimizes tail-focused objectives using Conditional Value-at-Risk (CVaR), we also introduced a Mean-Excess (ME) surrogate penalty to directly control worst-case PDE residuals. This casts PINN training as risk-sensitive optimization and links it to chance-constrained formulations. The method is effective and simple to implement. Across several partial differential equations (PDEs) such as Burgers, Heat, Korteweg-de-Vries, and Poisson (including a Poisson interface problem with a source jump at x=0.5) equations, RRaPINNs reduce tail residuals while maintaining or improving mean errors compared to vanilla PINNs, Residual-Based Attention and its variant using convolution weighting; the ME surrogate yields smoother optimization than a direct CVaR hinge. The chance constraint reliability level $\alpha$ acts as a transparent knob trading bulk accuracy (lower $\alpha$ ) for stricter tail control (higher $\alpha$ ). We discuss the framework limitations, including memoryless sampling, global-only tail budgeting, and residual-centric risk, and outline remedies via persistent hard-point replay, local risk budgets, and multi-objective risk over BC/IC terms. RRaPINNs offer a practical path to reliability-aware scientific ML for both smooth and discontinuous PDEs.
Authors: Xinlin Zhuang, Yichen Li, Xiwei Liu, Haolin Yang, Yifan Lu, Ziyun Zou, Yulong Li, Huifa Li, Dongliang Chen, Qinglei Wang, Weiyang Liu, Ying Qian, Jiangming Shi, Imran Razzak
Abstract: Adapting CLIP to vertical domains is typically approached by novel fine-tuning strategies or by continual pre-training (CPT) on large domain-specific datasets. Yet, data itself remains an underexplored factor in this process. We revisit this task from a data-centric perspective: Can effective data selection substitute for large-scale datasets in CPT? We introduce CHIPS (Curvature-aware Hybrid Influence in Projection Subspace), which assigns each image-text pair a utility score that integrates three complementary factors aligned with three goals: faithfulness via a curvature-aware, Newton-style alignment computed in CLIP's end-point subspace; scalability via an InfoNCE-aware curvature estimator with Johnson-Lindenstrauss (JL) sketching; and retention via a selection-aware relevance weight combined with learnability to balance target adaptation against general-domain preservation. We justify this design theoretically by proving a lower-bound guarantee on the proxy's correlation with full-parameter alignment and by characterizing the bias-variance trade-offs introduced by curvature mixing and JL sketching. We evaluate CHIPS empirically across various settings: 1) CHIPS attains state-of-the-art performance among selection baselines on 17 medical benchmarks, matches full-dataset CPT with 30% of the data, and outperforms half-dataset CPT using only 10%; 2) on 31 general-domain benchmarks, CHIPS yields the smallest performance drop under 10-30% data-retention budgets. Code, data, and checkpoints will be released.
Authors: Core Francisco Park, Manuel Perez-Carrasco, Caroline Nowlan, Cecilia Garraffo
Abstract: Geostationary hyperspectral satellites generate terabytes of data daily, creating critical challenges for storage, transmission, and distribution to the scientific community. We present a variational autoencoder (VAE) approach that achieves x514 compression of NASA's TEMPO satellite hyperspectral observations (1028 channels, 290-490nm) with reconstruction errors 1-2 orders of magnitude below the signal across all wavelengths. This dramatic data volume reduction enables efficient archival and sharing of satellite observations while preserving spectral fidelity. Beyond compression, we investigate to what extent atmospheric information is retained in the compressed latent space by training linear and nonlinear probes to extract Level-2 products (NO2, O3, HCHO, cloud fraction). Cloud fraction and total ozone achieve strong extraction performance (R^2 = 0.93 and 0.81 respectively), though these represent relatively straightforward retrievals given their distinct spectral signatures. In contrast, tropospheric trace gases pose genuine challenges for extraction (NO2 R^2 = 0.20, HCHO R^2 = 0.51) reflecting their weaker signals and complex atmospheric interactions. Critically, we find the VAE encodes atmospheric information in a semi-linear manner - nonlinear probes substantially outperform linear ones - and that explicit latent supervision during training provides minimal improvement, revealing fundamental encoding challenges for certain products. This work demonstrates that neural compression can dramatically reduce hyperspectral data volumes while preserving key atmospheric signals, addressing a critical bottleneck for next-generation Earth observation systems. Code - https://github.com/cfpark00/Hyperspectral-VAE
Authors: Lingyu Jiang, Lingyu Xu, Peiran Li, Qianwen Ge, Dingyi Zhuang, Shuo Xing, Wenjing Chen, Xiangbo Gao, Ting-Hsuan Chen, Xueying Zhan, Xin Zhang, Ziming Zhang, Zhengzhong Tu, Michael Zielewski, Kazunori Yamada, Fangzhou Lin
Abstract: Probabilistic Time-Series Forecasting (PTSF) is critical for uncertainty-aware decision making, but existing generative models, such as diffusion-based approaches, are computationally prohibitive due to expensive iterative sampling. Non-sampling frameworks like Multiple Choice Learning (MCL) offer an efficient alternative, but suffer from severe training instability and hypothesis collapse, which has historically hindered their performance. This problem is dramatically exacerbated when attempting to combine them with modern, efficient MLP-based backbones. To resolve this fundamental incompatibility, we propose TimePre, a novel framework that successfully unifies the efficiency of MLP-based models with the distributional flexibility of the MCL paradigm. The core of our solution is Stabilized Instance Normalization (SIN), a novel normalization layer that explicitly remedies this incompatibility. SIN stabilizes the hybrid architecture by correcting channel-wise statistical shifts, definitively resolving the catastrophic hypothesis collapse. Extensive experiments on six benchmark datasets demonstrate that TimePre achieves new state-of-the-art accuracy on key probabilistic metrics. Critically, TimePre achieves inference speeds orders of magnitude faster than sampling-based models and, unlike prior MCL work, demonstrates stable performance scaling. It thus bridges the long-standing gap between accuracy, efficiency, and stability in probabilistic forecasting.
Authors: Arya Shah, Vaibhav Tripathi
Abstract: The Forward-Forward (FF) algorithm offers a biologically plausible alternative to backpropagation, enabling neural networks to learn through local updates. However, FF's efficacy relies heavily on the definition of "goodness", which is a scalar measure of neural activity. While current implementations predominantly utilize a simple sum-of-squares metric, it remains unclear if this default choice is optimal. To address this, we benchmarked 21 distinct goodness functions across four standard image datasets (MNIST, FashionMNIST, CIFAR-10, STL-10), evaluating classification accuracy, energy consumption, and carbon footprint. We found that certain alternative goodness functions inspired from various domains significantly outperform the standard baseline. Specifically, \texttt{game\_theoretic\_local} achieved 97.15\% accuracy on MNIST, \texttt{softmax\_energy\_margin\_local} reached 82.84\% on FashionMNIST, and \texttt{triplet\_margin\_local} attained 37.69\% on STL-10. Furthermore, we observed substantial variability in computational efficiency, highlighting a critical trade-off between predictive performance and environmental cost. These findings demonstrate that the goodness function is a pivotal hyperparameter in FF design. We release our code on \href{https://github.com/aryashah2k/In-Search-of-Goodness}{Github} for reference and reproducibility.
Authors: Jiazhen Hong, Geoffrey Mackellar, Soheila Ghane
Abstract: Long-sequence electroencephalogram (EEG) modeling is essential for developing generalizable EEG representation models. This need arises from the high sampling rate of EEG data and the long recording durations required to capture extended neurological patterns in brain activity. Transformer-based models have shown promise in modeling short sequences of a few seconds; however, their quadratic complexity limits scalability to longer contexts. Moreover, variability in electrode montage across available datasets, along with inter-subject differences in brain signals, pose significant challenges to developing a generalizable and robust foundation model. We propose \textit{SAMBA}, a self-supervised learning framework with a Mamba-based U-shaped encoder-decoder architecture, which effectively captures long-range temporal dependencies and spatial variability in EEG data. Leveraging the inherent ability of Mamba in processing long context sizes, we introduce: (1) \textit{Temporal Semantic Random Masking} for semantic-level sequence reconstruction, (2) a \textit{Multi-Head Differential Mamba} module to suppress redundancy and emphasize salient temporal structures, and (3) a \textit{Spatial-Adaptive Input Embedding} that learns unified embeddings in a three-dimensional Euclidean space, enabling robustness across devices. Experiments on thirteen EEG datasets across diverse tasks, electrode configurations, and sequence durations demonstrate that SAMBA consistently outperforms state-of-the-art methods while maintaining low memory consumption and inference time. We also show the learned spatial weight maps from our embedding module align closely with task-relevant neurophysiological regions, demonstrating the learnability and interpretability of SAMBA. These results highlight SAMBA's scalability and practical potential as a foundation model for real-time brain-computer interface applications.
Authors: Milad Siami
Abstract: Graph Diffusion Models (GDMs) optimize for statistical likelihood, implicitly acting as \textbf{frequency filters} that favor abundant substructures over spectrally critical ones. We term this phenomenon \textbf{Generative Myopia}. In combinatorial tasks like graph sparsification, this leads to the catastrophic removal of ``rare bridges,'' edges that are structurally mandatory ($R_{\text{eff}} \approx 1$) but statistically scarce. We prove theoretically and empirically that this failure is driven by \textbf{Gradient Starvation}: the optimization landscape itself suppresses rare structural signals, rendering them unlearnable regardless of model capacity. To resolve this, we introduce \textbf{Spectrally-Weighted Diffusion}, which re-aligns the variational objective using Effective Resistance. We demonstrate that spectral priors can be amortized into the training phase with zero inference overhead. Our method eliminates myopia, matching the performance of an optimal Spectral Oracle and achieving \textbf{100\% connectivity} on adversarial benchmarks where standard diffusion fails completely (0\%).
Authors: Mengdi Wang, Efe Bozkir, Enkelejda Kasneci
Abstract: Split learning emerges as a promising paradigm for collaborative distributed model training, akin to federated learning, by partitioning neural networks between clients and a server without raw data exchange. However, sequential split learning suffers from poor scalability, while parallel variants like parallel split learning and split federated learning often incur high server resource overhead due to model duplication and aggregation, and generally exhibit reduced model performance and convergence owing to factors like client drift and lag. To address these limitations, we introduce CycleSL, a novel aggregation-free split learning framework that enhances scalability and performance and can be seamlessly integrated with existing methods. Inspired by alternating block coordinate descent, CycleSL treats server-side training as an independent higher-level machine learning task, resampling client-extracted features (smashed data) to mitigate heterogeneity and drift. It then performs cyclical updates, namely optimizing the server model first, followed by client updates using the updated server for gradient computation. We integrate CycleSL into previous algorithms and benchmark them on five publicly available datasets with non-iid data distribution and partial client attendance. Our empirical findings highlight the effectiveness of CycleSL in enhancing model performance. Our source code is available at https://gitlab.lrz.de/hctl/CycleSL.
Authors: Tabish Ali Rather, S M Mahmudul Hasan Joy, Nadezda Sukhorukova, Federico Frascoli
Abstract: This paper compares Kolmogorov-Arnold Networks (KAN) and Long Short-Term Memory networks (LSTM) for forecasting non-deterministic stock price data, evaluating predictive accuracy versus interpretability trade-offs using Root Mean Square Error (RMSE).LSTM demonstrates substantial superiority across all tested prediction horizons, confirming their established effectiveness for sequential data modelling. Standard KAN, while offering theoretical interpretability through the Kolmogorov-Arnold representation theorem, exhibits significantly higher error rates and limited practical applicability for time series forecasting. The results confirm LSTM dominance in accuracy-critical time series applications while identifying computational efficiency as KANs' primary advantage in resource-constrained scenarios where accuracy requirements are less stringent. The findings support LSTM adoption for practical financial forecasting while suggesting that continued research into specialised KAN architectures may yield future improvements.
Authors: Jiawei Hu, Javier A. Barria
Abstract: Label shift, a prevalent challenge in supervised learning, arises when the class prior distribution of test data differs from that of training data, leading to significant degradation in classifier performance. To accurately estimate the test priors and enhance classification accuracy, we propose a Bayesian framework for label shift estimation, termed Full Maximum A Posterior Label Shift (FMAPLS), along with its online version, online-FMAPLS. Leveraging batch and online Expectation-Maximization (EM) algorithms, these methods jointly and dynamically optimize Dirichlet hyperparameters $\boldsymbol{\alpha}$ and class priors $\boldsymbol{\pi}$, thereby overcoming the rigid constraints of the existing Maximum A Posterior Label Shift (MAPLS) approach. Moreover, we introduce a linear surrogate function (LSF) to replace gradient-based hyperparameter updates, yielding closed-form solutions that reduce computational complexity while retaining asymptotic equivalence. The online variant substitutes the batch E-step with a stochastic approximation, enabling real-time adaptation to streaming data. Furthermore, our theoretical analysis reveals a fundamental trade-off between online convergence rate and estimation accuracy. Extensive experiments on CIFAR100 and ImageNet datasets under shuffled long-tail and Dirichlet test priors demonstrate that FMAPLS and online-FMAPLS respectively achieve up to 40% and 12% lower KL divergence and substantial improvements in post-shift accuracy over state-of-the-art baselines, particularly under severe class imbalance and distributional uncertainty. These results confirm the robustness, scalability, and suitability of the proposed methods for large-scale and dynamic learning scenarios.
Authors: Amin Rakhsha, Kanika Madan, Tianyu Zhang, Amir-massoud Farahmand, Amir Khasahmadi
Abstract: Sampling multiple outputs from a Large Language Model (LLM) and selecting the most frequent (Self-consistency) or highest-scoring (Best-of-N) candidate is a popular approach to achieve higher accuracy in tasks with discrete final answers. Best-of-N (BoN) selects the output with the highest reward, and with perfect rewards, it often achieves near-perfect accuracy. With imperfect rewards from reward models, however, BoN fails to reliably find the correct answer and its performance degrades drastically. We consider the distribution of BoN's outputs and highlight that, although the correct answer does not usually have a probability close to one under imperfect rewards, it is often the most likely outcome. This suggests that the mode of this distribution can be more reliably correct than a sample from it. Based on this idea, we propose Majority-of-the-Bests (MoB), a novel selection mechanism that estimates the output distribution of BoN via bootstrapping and selects its mode. Experimental results across five benchmarks, three different base LLMs, and two reward models demonstrate consistent improvements over BoN in 25 out of 30 setups. We also provide theoretical results for the consistency of the bootstrapping. MoB serves as a simple, yet strong alternative to BoN and self-consistency, and more broadly, motivates further research in more nuanced selection mechanisms.
Authors: Kiyan Rezaee, Morteza Ziabakhsh, Niloofar Nikfarjam, Mohammad M. Ghassemi, Yazdan Rezaee Jouryabi, Sadegh Eskandari, Reza Lashgari
Abstract: Interdisciplinary scientific breakthroughs mostly emerge unexpectedly, and forecasting the formation of novel research fields remains a major challenge. We introduce FOS (Future Of Science), a comprehensive time-aware graph-based benchmark that reconstructs annual co-occurrence graphs of 65,027 research sub-fields (spanning 19 general domains) over the period 1827-2024. In these graphs, edges denote the co-occurrence of two fields in a single publication and are timestamped with the corresponding publication year. Nodes are enriched with semantic embeddings, and edges are characterized by temporal and topological descriptors. We formulate the prediction of new field-pair linkages as a temporal link-prediction task, emphasizing the "first-time" connections that signify pioneering interdisciplinary directions. Through extensive experiments, we evaluate a suite of state-of-the-art temporal graph architectures under multiple negative-sampling regimes and show that (i) embedding long-form textual descriptions of fields significantly boosts prediction accuracy, and (ii) distinct model classes excel under different evaluation settings. Case analyses show that top-ranked link predictions on FOS align with field pairings that emerge in subsequent years of academic publications. We publicly release FOS, along with its temporal data splits and evaluation code, to establish a reproducible benchmark for advancing research in predicting scientific frontiers.
Authors: Jan Benedikt Ruhland, Doguhan Bahcivan, Jan-Peter Sowa, Ali Canbay, Dominik Heider
Abstract: Recent advances in large language models made it possible to achieve high conversational performance with substantially reduced computational demands, enabling practical on-site deployment in clinical environments. Such progress allows for local integration of AI systems that uphold strict data protection and patient privacy requirements, yet their secure implementation in medicine necessitates careful consideration of ethical, regulatory, and technical constraints. In this study, we introduce MedChat, a locally deployable virtual physician framework that integrates an LLM-based medical chatbot with a diffusion-driven avatar for automated and structured anamnesis. The chatbot was fine-tuned using a hybrid corpus of real and synthetically generated medical dialogues, while model efficiency was optimized via Low-Rank Adaptation. A secure and isolated database interface was implemented to ensure complete separation between patient data and the inference process. The avatar component was realized through a conditional diffusion model operating in latent space, trained on researcher video datasets and synchronized with mel-frequency audio features for realistic speech and facial animation. Unlike existing cloud-based systems, this work demonstrates the feasibility of a fully offline, locally deployable LLM-diffusion framework for clinical anamnesis. The autoencoder and diffusion networks exhibited smooth convergence, and MedChat achieved stable fine-tuning with strong generalization to unseen data. The proposed system thus provides a privacy-preserving, resource-efficient foundation for AI-assisted clinical anamnesis, also in low-cost settings.
Authors: Haojun Xia, Xiaoxia Wu, Jisen Li, Robert Wu, Junxiong Wang, Jue Wang, Chenxi Li, Aman Singhal, Alay Dilipbhai Shah, Alpay Ariyak, Donglin Zhuang, Zhongzhu Zhou, Ben Athiwaratkun, Zhen Zheng, Shuaiwen Leon Song
Abstract: The KV cache is a dominant memory bottleneck for LLM inference. While 4-bit KV quantization preserves accuracy, 2-bit often degrades it, especially on long-context reasoning. We close this gap via an algorithm-system co-design for mixed-precision KV caching: Kitty. On the algorithm side, extensive experiments show that Dynamic Channel-wise Precision Boost -- which ranks Key-cache channels by sensitivity and keeps only a small fraction at higher precision -- maintains near-zero loss in accuracy drop while approaching 2-bit memory. The main challenge is handling dynamic 4-bit channel boosts while keeping the page layout coalesced and the dequantization uniform, with no scattered reads or hard-coded masks. Kitty addresses these issues by decompose each mixed-precision Key page into two tensors with unified 2-bit precision. Based on this, Kitty provides a page-centric KV layout, Triton-compatible page dequantization kernels, and a lightweight runtime pipeline that preserves coalescing and avoids divergence. Across seven tasks and two model families (Qwen3, LLaMA3), Kitty cuts KV memory by nearly 8x with negligible accuracy loss, enabling up to 8x larger batches and 2.1x-4.1x higher throughput under the same memory budget. We release the full implementation of Kitty at https://github.com/Summer-Summer/Kitty.
Authors: Mostafa Mozafari, Farooq Ahmad Wani, Maria Sofia Bucarelli, Fabrizio Silvestri
Abstract: Corrupted training data are ubiquitous. Corrective Machine Unlearning (CMU) seeks to remove the influence of such corruption post-training. Prior CMU typically assumes access to identified corrupted training samples (a ``forget set''). However, in many real-world scenarios the training data are no longer accessible. We formalize \emph{source-free} CMU, where the original training data are unavailable and, consequently, no forget set of identified corrupted training samples can be specified. Instead, we assume a small proxy (surrogate) set of corrupted samples that reflect the suspected corruption type without needing to be the original training samples. In this stricter setting, methods relying on forget set are ineffective or narrow in scope. We introduce \textit{Corrective Unlearning in Task Space} (CUTS), a lightweight weight space correction method guided by the proxy set using task arithmetic principles. CUTS treats the clean and the corruption signal as distinct tasks. Specifically, we briefly fine-tune the corrupted model on the proxy to amplify the corruption mechanism in the weight space, compute the difference between the corrupted and fine-tuned weights as a proxy task vector, and subtract a calibrated multiple of this vector to cancel the corruption. Without access to clean data or a forget set, CUTS recovers a large fraction of the lost utility under label noise and, for backdoor triggers, nearly eliminates the attack with minimal damage to utility, outperforming state-of-the-art specialized CMU methods in source-free setting.
Authors: Rowan Bradbury, Aniket Srinivasan Ashok, Sai Ram Kasanagottu, Gunmay Jhingran, Shuai Meng
Abstract: Replacing modules in pretrained models, especially swapping quadratic self-attention for efficient attention alternatives, poses a hard optimization problem: cold-start reinitialization destabilizes frozen backbones. We isolate this core stability challenge in a controlled study. Deterministic Continuous Replacement (DCR) blends teacher and student outputs with a deterministic, annealed weight. Theoretically, DCR eliminates gate-induced gradient variance inherent to stochastic replacement. In a single-seed study, DCR attains faster convergence and stronger alignment than stochastic gating and distillation baselines on controlled attention replacement, establishing a foundation for heterogeneous operator swaps.
Authors: Yan Wang, Ke Deng, Yongli Ren
Abstract: Cooperative multi-agent reinforcement learning (MARL) commonly adopts centralized training with decentralized execution (CTDE), where centralized critics leverage global information to guide decentralized actors. However, centralized-decentralized mismatch (CDM) arises when the suboptimal behavior of one agent degrades others' learning. Prior approaches mitigate CDM through value decomposition, but linear decompositions allow per-agent gradients at the cost of limited expressiveness, while nonlinear decompositions improve representation but require centralized gradients, reintroducing CDM. To overcome this trade-off, we propose the multi-agent cross-entropy method (MCEM), combined with monotonic nonlinear critic decomposition (NCD). MCEM updates policies by increasing the probability of high-value joint actions, thereby excluding suboptimal behaviors. For sample efficiency, we extend off-policy learning with a modified k-step return and Retrace. Analysis and experiments demonstrate that MCEM outperforms state-of-the-art methods across both continuous and discrete action benchmarks.
Authors: Kazi Ahmed Asif Fuad, Lizhong Chen
Abstract: Kolmogorov Arnold Networks (KANs) represent a new class of neural architectures that replace conventional linear transformations and node-based nonlinearities with spline-based function approximations distributed along network edges. Although KANs offer strong expressivity and interpretability, their heterogeneous spline and base branch parameters hinder efficient quantization, which remains unexamined compared to CNNs and Transformers. In this paper, we present QuantKAN, a unified framework for quantizing KANs across both quantization aware training (QAT) and post-training quantization (PTQ) regimes. QuantKAN extends modern quantization algorithms, such as LSQ, LSQ+, PACT, DoReFa, QIL, GPTQ, BRECQ, AdaRound, AWQ, and HAWQ-V2, to spline based layers with branch-specific quantizers for base, spline, and activation components. Through extensive experiments on MNIST, CIFAR 10, and CIFAR 100 across multiple KAN variants (EfficientKAN, FastKAN, PyKAN, and KAGN), we establish the first systematic benchmarks for low-bit spline networks. Our results show that KANs, particularly deeper KAGN variants, are compatible with low-bit quantization but exhibit strong method architecture interactions: LSQ, LSQ+, and PACT preserve near full precision accuracy at 4 bit for shallow KAN MLP and ConvNet models, while DoReFa provides the most stable behavior for deeper KAGN under aggressive low-bit settings. For PTQ, GPTQ and Uniform consistently deliver the strongest overall performance across datasets, with BRECQ highly competitive on simpler regimes such as MNIST. Our proposed QuantKAN framework thus unifies spline learning and quantization, and provides practical tools and guidelines for efficiently deploying KANs in real-world, resource-constrained environments.
Authors: Kichang Yang, Seonjun Kim, Minjae Kim, Nairan Zhang, Chi Zhang, Youngki Lee
Abstract: Edge deployment of large Vision-Language Models (VLMs) increasingly relies on flash-based weight offloading, where activation sparsification is used to reduce I/O overhead. However, conventional sparsification remains model-centric, selecting neurons solely by activation magnitude and neglecting how access patterns influence flash performance. We present Neuron Chunking, an I/O-efficient sparsification strategy that operates on chunks (i.e., groups of contiguous neurons in memory) and couples neuron importance with storage access cost. The method models I/O latency through a lightweight abstraction of access contiguity and selects chunks with high utility, defined as neuron importance normalized by estimated latency. By aligning sparsification decisions with the underlying storage behavior, Neuron Chunking improves I/O efficiency by up to 4.65x and 5.76x on Jetson Orin Nano and Jetson AGX Orin, respectively.
Authors: Zesheng Liu, Maryam Rahnemoonfar
Abstract: Graph transformers have demonstrated remarkable capability on complex spatio-temporal tasks, yet their depth is often limited by oversmoothing and weak long-range dependency modeling. To address these challenges, we introduce GRIT-LP, a graph transformer explicitly designed for polar ice-layer thickness estimation from polar radar imagery. Accurately estimating ice layer thickness is critical for understanding snow accumulation, reconstructing past climate patterns and reducing uncertainties in projections of future ice sheet evolution and sea level rise. GRIT-LP combines an inductive geometric graph learning framework with self-attention mechanism, and introduces two major innovations that jointly address challenges in modeling the spatio-temporal patterns of ice layers: a partitioned spatial graph construction strategy that forms overlapping, fully connected local neighborhoods to preserve spatial coherence and suppress noise from irrelevant long-range links, and a long-range skip connection mechanism within the transformer that improves information flow and mitigates oversmoothing in deeper attention layers. We conducted extensive experiments, demonstrating that GRIT-LP outperforms current state-of-the-art methods with a 24.92\% improvement in root mean squared error. These results highlight the effectiveness of graph transformers in modeling spatiotemporal patterns by capturing both localized structural features and long-range dependencies across internal ice layers, and demonstrate their potential to advance data-driven understanding of cryospheric processes.
Authors: Adarsh Kumarappan, Ayushi Mehrotra
Abstract: The SmoothLLM defense provides a certification guarantee against jailbreaking attacks, but it relies on a strict `k-unstable' assumption that rarely holds in practice. This strong assumption can limit the trustworthiness of the provided safety certificate. In this work, we address this limitation by introducing a more realistic probabilistic framework, `(k, $\varepsilon$)-unstable,' to certify defenses against diverse jailbreaking attacks, from gradient-based (GCG) to semantic (PAIR). We derive a new, data-informed lower bound on SmoothLLM's defense probability by incorporating empirical models of attack success, providing a more trustworthy and practical safety certificate. By introducing the notion of (k, $\varepsilon$)-unstable, our framework provides practitioners with actionable safety guarantees, enabling them to set certification thresholds that better reflect the real-world behavior of LLMs. Ultimately, this work contributes a practical and theoretically-grounded mechanism to make LLMs more resistant to the exploitation of their safety alignments, a critical challenge in secure AI deployment.
Authors: Devansh Agarwal, Maitreyi Chatterjee, Biplab Chatterjee
Abstract: Aircraft maintenance logs hold valuable safety data but remain underused due to their unstructured text format. This paper introduces LogSyn, a framework that uses Large Language Models (LLMs) to convert these logs into structured, machine-readable data. Using few-shot in-context learning on 6,169 records, LogSyn performs Controlled Abstraction Generation (CAG) to summarize problem-resolution narratives and classify events within a detailed hierarchical ontology. The framework identifies key failure patterns, offering a scalable method for semantic structuring and actionable insight extraction from maintenance logs. This work provides a practical path to improve maintenance workflows and predictive analytics in aviation and related industries.
Authors: Maitreyi Chatterjee, Devansh Agarwal, Biplab Chatterjee
Abstract: The transition to autonomous material systems necessitates adaptive control methodologies to maximize structural longevity. This study frames the self-healing process as a Reinforcement Learning (RL) problem within a Markov Decision Process (MDP), enabling agents to autonomously derive optimal policies that efficiently balance structural integrity maintenance against finite resource consumption. A comparative evaluation of discrete-action (Q-learning, DQN) and continuous-action (TD3) agents in a stochastic simulation environment revealed that RL controllers significantly outperform heuristic baselines, achieving near-complete material recovery. Crucially, the TD3 agent utilizing continuous dosage control demonstrated superior convergence speed and stability, underscoring the necessity of fine-grained, proportional actuation in dynamic self-healing applications.
Authors: Michael Horton, Patrick Lucey
Abstract: Football (soccer) is a sport that is characterised by complex game play, where players perform a variety of actions, such as passes, shots, tackles, fouls, in order to score goals, and ultimately win matches. Accurately forecasting the total number of each action that each player will complete during a match is desirable for a variety of applications, including tactical decision-making, sports betting, and for television broadcast commentary and analysis. Such predictions must consider the game state, the ability and skill of the players in both teams, the interactions between the players, and the temporal dynamics of the game as it develops. In this paper, we present a transformer-based neural network that jointly and recurrently predicts the expected totals for thirteen individual actions at multiple time-steps during the match, and where predictions are made for each individual player, each team and at the game-level. The neural network is based on an \emph{axial transformer} that efficiently captures the temporal dynamics as the game progresses, and the interactions between the players at each time-step. We present a novel axial transformer design that we show is equivalent to a regular sequential transformer, and the design performs well experimentally. We show empirically that the model can make consistent and reliable predictions, and efficiently makes $\sim$75,000 live predictions at low latency for each game.
Authors: Haoming Jia, Yi Han, Xiang Wang, Huizan Wang, Wei Wu, Jianming Zheng, Peikun Xiao
Abstract: Global ocean forecasting aims to predict key ocean variables such as temperature, salinity, and currents, which is essential for understanding and describing oceanic phenomena. In recent years, data-driven deep learning-based ocean forecast models, such as XiHe, WenHai, LangYa and AI-GOMS, have demonstrated significant potential in capturing complex ocean dynamics and improving forecasting efficiency. Despite these advancements, the absence of open-source, standardized benchmarks has led to inconsistent data usage and evaluation methods. This gap hinders efficient model development, impedes fair performance comparison, and constrains interdisciplinary collaboration. To address this challenge, we propose OceanForecastBench, a benchmark offering three core contributions: (1) A high-quality global ocean reanalysis data over 28 years for model training, including 4 ocean variables across 23 depth levels and 4 sea surface variables. (2) A high-reliability satellite and in-situ observations for model evaluation, covering approximately 100 million locations in the global ocean. (3) An evaluation pipeline and a comprehensive benchmark with 6 typical baseline models, leveraging observations to evaluate model performance from multiple perspectives. OceanForecastBench represents the most comprehensive benchmarking framework currently available for data-driven ocean forecasting, offering an open-source platform for model development, evaluation, and comparison. The dataset and code are publicly available at: https://github.com/Ocean-Intelligent-Forecasting/OceanForecastBench.
URLs: https://github.com/Ocean-Intelligent-Forecasting/OceanForecastBench.
Authors: Senmao Tian, Xiang Wei, Shunli Zhang
Abstract: Class imbalance remains a critical challenge in semi-supervised learning (SSL), especially when distributional mismatches between labeled and unlabeled data lead to biased classification. Although existing methods address this issue by adjusting logits based on the estimated class distribution of unlabeled data, they often handle model imbalance in a coarse-grained manner, conflating data imbalance with bias arising from varying class-specific learning difficulties. To address this issue, we propose a unified framework, SC-SSL, which suppresses model bias through decoupled sampling control. During training, we identify the key variables for sampling control under ideal conditions. By introducing a classifier with explicit expansion capability and adaptively adjusting sampling probabilities across different data distributions, SC-SSL mitigates feature-level imbalance for minority classes. In the inference phase, we further analyze the weight imbalance of the linear classifier and apply post-hoc sampling control with an optimization bias vector to directly calibrate the logits. Extensive experiments across various benchmark datasets and distribution settings validate the consistency and state-of-the-art performance of SC-SSL.
Authors: Chenhong Zhou, Jie Chen, Zaifeng Yang
Abstract: Neural operators have shown great potential in solving a family of Partial Differential Equations (PDEs) by modeling the mappings between input and output functions. Fourier Neural Operator (FNO) implements global convolutions via parameterizing the integral operators in Fourier space. However, it often results in over-smoothing solutions and fails to capture local details and high-frequency components. To address these limitations, we investigate incorporating the spatial-frequency localization property of Wavelet transforms into the Transformer architecture. We propose a novel Wavelet Attention (WA) module with linear computational complexity to efficiently learn locality-aware features. Building upon WA, we further develop the Spectral Attention Operator Transformer (SAOT), a hybrid spectral Transformer framework that integrates WA's localized focus with the global receptive field of Fourier-based Attention (FA) through a gated fusion block. Experimental results demonstrate that WA significantly mitigates the limitations of FA and outperforms existing Wavelet-based neural operators by a large margin. By integrating the locality-aware and global spectral representations, SAOT achieves state-of-the-art performance on six operator learning benchmarks and exhibits strong discretization-invariant ability.
Authors: Renchu Guan, Xuyang Li, Yachao Zhang, Wei Pang, Fausto Giunchiglia, Ximing Li, Yonghao Liu, Xiaoyue Feng
Abstract: Hypergraphs, as a generalization of traditional graphs, naturally capture high-order relationships. In recent years, hypergraph neural networks (HNNs) have been widely used to capture complex high-order relationships. However, most existing hypergraph neural network methods inherently rely on the homophily assumption, which often does not hold in real-world scenarios that exhibit significant heterophilic structures. To address this limitation, we propose \textbf{HONOR}, a novel unsupervised \textbf{H}ypergraph c\textbf{ON}trastive learning framework suitable for both hom\textbf{O}philic and hete\textbf{R}ophilic hypergraphs. Specifically, HONOR explicitly models the heterophilic relationships between hyperedges and nodes through two complementary mechanisms: a prompt-based hyperedge feature construction strategy that maintains global semantic consistency while suppressing local noise, and an adaptive attention aggregation module that dynamically captures the diverse local contributions of nodes to hyperedges. Combined with high-pass filtering, these designs enable HONOR to fully exploit heterophilic connection patterns, yielding more discriminative and robust node and hyperedge representations. Theoretically, we demonstrate the superior generalization ability and robustness of HONOR. Empirically, extensive experiments further validate that HONOR consistently outperforms state-of-the-art baselines under both homophilic and heterophilic datasets.
Authors: Haichen Hu, David Simchi-Levi
Abstract: We study the problem of excess risk evaluation for empirical risk minimization (ERM) under general convex loss functions. Our contribution is an efficient refitting procedure that computes the excess risk and provides high-probability upper bounds under the fixed-design setting. Assuming only black-box access to the training algorithm and a single dataset, we begin by generating two sets of artificially modified pseudo-outcomes termed wild response, created by stochastically perturbing the gradient vectors with carefully chosen scaling. Using these two pseudo-labeled datasets, we then refit the black-box procedure twice to obtain two corresponding wild predictors. Finally, leveraging the original predictor, the two wild predictors, and the constructed wild responses, we derive an efficient excess risk upper bound. A key feature of our analysis is that it requires no prior knowledge of the complexity of the underlying function class. As a result, the method is essentially model-free and holds significant promise for theoretically evaluating modern opaque machine learning system--such as deep nerral networks and generative model--where traditional capacity-based learning theory becomes infeasible due to the extreme complexity of the hypothesis class.
Authors: Kanav Arora, Girish Narayanswamy, Shwetak Patel, Richard Li
Abstract: Heart rate estimation from photoplethysmography (PPG) signals generated by wearable devices such as smartwatches and fitness trackers has significant implications for the health and well-being of individuals. Although prior work has demonstrated deep learning models with strong performance in the heart rate estimation task, in order to deploy these models on wearable devices, these models must also adhere to strict memory and latency constraints. In this work, we explore and characterize how large pre-trained PPG models may be distilled to smaller models appropriate for real-time inference on the edge. We evaluate four distillation strategies through comprehensive sweeps of teacher and student model capacities: (1) hard distillation, (2) soft distillation, (3) decoupled knowledge distillation (DKD), and (4) feature distillation. We present a characterization of the resulting scaling laws describing the relationship between model size and performance. This early investigation lays the groundwork for practical and predictable methods for building edge-deployable models for physiological sensing.
Authors: Fang Wang, Paolo Ceravolo, Ernesto Damiani
Abstract: Existing deep learning models for Predictive Process Monitoring (PPM) struggle with temporal irregularities, particularly stochastic event durations and overlapping timestamps, limiting their adaptability across heterogeneous datasets. We propose a dual input neural network strategy that separates event and sequence attributes, using a duration-aware pseudo-embedding matrix to transform temporal importance into compact, learnable representations. This design is implemented across two baseline families: B-LSTM and B-GCN, and their duration-aware variants D-LSTM and D-GCN. All models incorporate self-tuned hypermodels for adaptive architecture selection. Experiments on balanced and imbalanced outcome prediction tasks show that duration pseudo-embedding inputs consistently improve generalization, reduce model complexity, and enhance interpretability. Our results demonstrate the benefits of explicit temporal encoding and provide a flexible design for robust, real-world PPM applications.
Authors: Fang Wang, Lance Kosca, Adrienne Kosca, Marko Gacesa, Ernesto Damiani
Abstract: This paper introduces HGNN(O), an AutoML GNN hypermodel framework for outcome prediction on event-sequence data. Building on our earlier work on graph convolutional network hypermodels, HGNN(O) extends four architectures-One Level, Two Level, Two Level Pseudo Embedding, and Two Level Embedding-across six canonical GNN operators. A self-tuning mechanism based on Bayesian optimization with pruning and early stopping enables efficient adaptation over architectures and hyperparameters without manual configuration. Empirical evaluation on both balanced and imbalanced event logs shows that HGNN(O) achieves accuracy exceeding 0.98 on the Traffic Fines dataset and weighted F1 scores up to 0.86 on the Patients dataset without explicit imbalance handling. These results demonstrate that the proposed AutoML-GNN approach provides a robust and generalizable benchmark for outcome prediction in complex event-sequence data.
Authors: Mincheol Jeon, Euinam Huh
Abstract: Personalized Federated Learning (PFL) faces persistent challenges, including domain heterogeneity from diverse client data, data imbalance due to skewed participation, and strict communication constraints. Traditional federated learning often lacks personalization, as a single global model cannot capture client-specific characteristics, leading to biased predictions and poor generalization, especially for clients with highly divergent data distributions. To address these issues, we propose FedSTAR, a style-aware federated learning framework that disentangles client-specific style factors from shared content representations. FedSTAR aggregates class-wise prototypes using a Transformer-based attention mechanism, allowing the server to adaptively weight client contributions while preserving personalization. Furthermore, by exchanging compact prototypes and style vectors instead of full model parameters, FedSTAR significantly reduces communication overhead. Experimental results demonstrate that combining content-style disentanglement with attention-driven prototype aggregation improves personalization and robustness in heterogeneous environments without increasing communication cost.
Authors: Yubo Wang, Hui He, Chaoxi Niu, Zhendong Niu
Abstract: Due to the inherent complexity, temporal patterns in real-world time series often evolve across multiple intertwined scales, including long-term periodicity, short-term fluctuations, and abrupt regime shifts. While existing literature has designed many sophisticated decomposition approaches based on the time or frequency domain to partition trend-seasonality components and high-low frequency components, an alternative line of approaches based on the wavelet domain has been proposed to provide a unified multi-resolution representation with precise time-frequency localization. However, most wavelet-based methods suffer from a persistent bias toward recursively decomposing only low-frequency components, severely underutilizing subtle yet informative high-frequency components that are pivotal for precise time series forecasting. To address this problem, we propose WaveTuner, a Wavelet decomposition framework empowered by full-spectrum subband Tuning for time series forecasting. Concretely, WaveTuner comprises two key modules: (i) Adaptive Wavelet Refinement module, that transforms time series into time-frequency coefficients, utilizes an adaptive router to dynamically assign subband weights, and generates subband-specific embeddings to support refinement; and (ii) Multi-Branch Specialization module, that employs multiple functional branches, each instantiated as a flexible Kolmogorov-Arnold Network (KAN) with a distinct functional order to model a specific spectral subband. Equipped with these modules, WaveTuner comprehensively tunes global trends and local variations within a unified time-frequency framework. Extensive experiments on eight real-world datasets demonstrate WaveTuner achieves state-of-the-art forecasting performance in time series forecasting.
Authors: Bo Jiang, Weijun Zhao, Beibei Wang, Xiao Wang, Jin Tang
Abstract: Recently, fine-tuning large-scale pre-trained GNNs has yielded remarkable attention in adapting pre-trained GNN models for downstream graph learning tasks. One representative fine-tuning method is to exploit adapter (termed AdapterGNN) which aims to 'augment' the pre-trained model by inserting a lightweight module to make the 'augmented' model better adapt to the downstream tasks. However, graph data may contain various types of noise in downstream tasks, such as noisy edges and ambiguous node attributes. Existing AdapterGNNs are often prone to graph noise and exhibit limited generalizability. How to enhance the robustness and generalization ability of GNNs' fine tuning remains an open problem. In this paper, we show that the above problem can be well addressed by integrating uncertainty learning into the GNN adapter. We propose the Uncertainty-aware Adapter (UAdapterGNN) that fortifies pre-trained GNN models against noisy graph data in the fine-tuning process. Specifically, in contrast to regular AdapterGNN, our UAdapterGNN exploits Gaussian probabilistic adapter to augment the pre-trained GNN model. In this way, when the graph contains various noises,our method can automatically absorb the effects of changes in the variances of the Gaussian distribution, thereby significantly enhancing the model's robustness. Also, UAdapterGNN can further improve the generalization ability of the model on the downstream tasks. Extensive experiments on several benchmarks demonstrate the effectiveness, robustness and high generalization ability of the proposed UAdapterGNN method.
Authors: Dezhi Ran, Shuxiao Xie, Mingfang Ji, Ziyue Hua, Mengzhou Wu, Yuan Cao, Yuzhe Guo, Yu Hao, Linyi Li, Yitao Hu, Tao Xie
Abstract: High quality kernels are critical for reducing training and inference costs of Large Language Models (LLMs), yet they traditionally require significant expertise in hardware architecture and software optimization. While recent advances in LLM-based code generation show promise for complex optimization, existing methods struggle with the vast optimization space due to insufficient hardware domain knowledge, failing to effectively balance exploration and exploitation. We present KernelBand, a novel framework that formulates kernel optimization as a hierarchical multi-armed bandit problem, enabling LLM agents to strategically navigate the optimization space by treating kernel selection and optimization strategy application as sequential decision-making processes. Our approach leverages hardware profiling information to identify promising optimization strategies and employs runtime behavior clustering to reduce exploration overhead across kernel candidates. Extensive experiments on TritonBench demonstrate that KernelBand significantly outperforms state-of-the-art methods, achieving superior performance with fewer tokens while exhibiting consistent improvement without saturation as computational resources increase.
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: Hyeong-Gun Joo, Songnam Hong, Seunghwan Lee, Dong-Joon Shin
Abstract: Federated learning (FL) faces challenges in ensuring both privacy and communication efficiency, particularly in resource-constrained environments such as Internet of Things (IoT) and edge networks. While sign-based methods, such as sign stochastic gradient descent with majority voting (SIGNSGD-MV), offer substantial bandwidth savings, they remain vulnerable to inference attacks due to exposure of gradient signs. Existing secure aggregation techniques are either incompatible with sign-based methods or incur prohibitive overhead. To address these limitations, we propose Hi-SAFE, a lightweight and cryptographically secure aggregation framework for sign-based FL. Our core contribution is the construction of efficient majority vote polynomials for SIGNSGD-MV, derived from Fermat's Little Theorem. This formulation represents the majority vote as a low-degree polynomial over a finite field, enabling secure evaluation that hides intermediate values and reveals only the final result. We further introduce a hierarchical subgrouping strategy that ensures constant multiplicative depth and bounded per-user complexity, independent of the number of users n.
Authors: Yonggan Fu, Xin Dong, Shizhe Diao, Matthijs Van keirsbilck, Hanrong Ye, Wonmin Byeon, Yashaswi Karnati, Lucas Liebenwein, Hannah Zhang, Nikolaus Binder, Maksim Khadkevich, Alexander Keller, Jan Kautz, Yingyan Celine Lin, Pavlo Molchanov
Abstract: Efficient deployment of small language models (SLMs) is essential for numerous real-world applications with stringent latency constraints. While previous work on SLM design has primarily focused on reducing the number of parameters to achieve parameter-optimal SLMs, parameter efficiency does not necessarily translate into proportional real-device speed-ups. This work aims to identify the key determinants of SLMs' real-device latency and offer generalizable principles and methodologies for SLM design and training when real-device latency is the primary consideration. Specifically, we identify two central architectural factors: depth-width ratios and operator choices. The former is crucial for small-batch-size latency, while the latter affects both latency and large-batch-size throughput. In light of this, we first study latency-optimal depth-width ratios, with the key finding that although deep-thin models generally achieve better accuracy under the same parameter budget, they may not lie on the accuracy-latency trade-off frontier. Next, we explore emerging efficient attention alternatives to evaluate their potential as candidate building operators. Using the identified promising operators, we construct an evolutionary search framework to automatically discover latency-optimal combinations of these operators within hybrid SLMs, thereby advancing the accuracy-latency frontier. In addition to architectural improvements, we further enhance SLM training using a weight normalization technique that enables more effective weight updates and improves final convergence. Combining these methods, we introduce a new family of hybrid SLMs, called Nemotron-Flash, which significantly advances the accuracy-efficiency frontier of state-of-the-art SLMs, e.g., achieving over +5.5% average accuracy, 1.3x/1.9x lower latency, and 18.7x/45.6x higher throughput compared to Qwen3-1.7B/0.6B, respectively.
Authors: Zengjie Hu, Jiantao Qiu, Tianyi Bai, Haojin Yang, Binhang Yuan, Qi Jing, Conghui He, Wentao Zhang
Abstract: Group-based policy optimization methods like GRPO and GSPO have become standard for training multimodal models, leveraging group-wise rollouts and relative advantage estimation. However, they suffer from a critical \emph{gradient vanishing} problem when all responses within a group receive identical rewards, causing advantage estimates to collapse and training signals to diminish. Existing attempts to mitigate this issue fall into two paradigms: filtering-based and sampling-based methods. Filtering-based methods first generate rollouts broadly and then retroactively filter out uninformative groups, leading to substantial computational overhead. Sampling-based methods proactively select effective samples before rollout but rely on static criteria or prior dataset knowledge, lacking real-time adaptability. To address these issues, we propose \textbf{VADE}, a \textbf{V}ariance-\textbf{A}ware \textbf{D}ynamic sampling framework via online sample-level difficulty \textbf{E}stimation. Our framework integrates three key components: online sample-level difficulty estimation using Beta distributions, a Thompson sampler that maximizes information gain through the estimated correctness probability, and a two-scale prior decay mechanism that maintains robust estimation under policy evolution. This three components design enables VADE to dynamically select the most informative samples, thereby amplifying training signals while eliminating extra rollout costs. Extensive experiments on multimodal reasoning benchmarks show that VADE consistently outperforms strong baselines in both performance and sample efficiency, while achieving a dramatic reduction in computational overhead. More importantly, our framework can serves as a plug-and-play component to be seamlessly integrated into existing group-based RL algorithms. Code and models are available at https://VADE-RL.github.io.
Authors: Kairong Luo, Zhenbo Sun, Haodong Wen, Xinyu Shi, Jiarui Cui, Chenyi Dang, Kaifeng Lyu, Wenguang Chen
Abstract: Due to the scarcity of high-quality data, large language models (LLMs) are often trained on mixtures of data with varying quality levels, even after sophisticated data curation. A natural approach to better leverage high-quality data is curriculum-based pretraining, where the model is trained on data sorted in ascending order of quality as determined by a quality metric. However, prior studies have reported limited improvements from such curriculum-based pretraining strategies. This work identifies a critical factor constraining these methods: the incompatibility between the ascending data quality order and the decaying learning rate (LR) schedule. We find that while curriculum-based training substantially outperforms random shuffling when using a constant LR, its advantage diminishes under standard LR decay schedules. Our experiments show this incompatibility can be mitigated by two simple strategies: (1) employing a more moderate LR decay schedule, where the final LR is only moderately smaller than the peak LR, and (2) replacing LR decay with model averaging, i.e., computing a weighted average of the final few checkpoints. By combining these strategies, we improve the average score on a suite of standard benchmarks by 1.64% over random shuffling, without additional data refinement. Validated on 1.5B-parameter models trained over 30B tokens with various data-quality metrics, our findings call for a re-evaluation of curriculum-based LLM pretraining and underscore the potential of co-designing data curricula with optimization methods.
Authors: Salah Eddine Choutri, Prajwal Chauhan, Othmane Mazhar, Saif Eddin Jabari
Abstract: The Monte Carlo-type Neural Operator (MCNO) introduces a lightweight architecture for learning solution operators for parametric PDEs by directly approximating the kernel integral using a Monte Carlo approach. Unlike Fourier Neural Operators, MCNO makes no spectral or translation-invariance assumptions. The kernel is represented as a learnable tensor over a fixed set of randomly sampled points. This design enables generalization across multiple grid resolutions without relying on fixed global basis functions or repeated sampling during training. Experiments on standard 1D PDE benchmarks show that MCNO achieves competitive accuracy with low computational cost, providing a simple and practical alternative to spectral and graph-based neural operators.
Authors: Santhosh G S, Saurav Prakash, Balaraman Ravindran
Abstract: Large Language Models (LLMs) face a significant bottleneck during autoregressive inference due to the massive memory footprint of the Key-Value (KV) cache. Existing compression techniques like token eviction, quantization, or other low-rank methods often risk information loss, have fixed limits, or introduce significant computational overhead from explicit decompression steps. In this work, we introduce SWAN, a novel, fine-tuning-free framework that eliminates this overhead. Our method uses an offline orthogonal matrix to rotate and prune the KV-cache, which is then used directly in the attention computation without any reconstruction. Our extensive experiments demonstrate that SWAN, augmented with a small dense buffer, offers a robust trade-off, maintaining performance close to the uncompressed baseline even at aggressive 50-60% memory savings per-token on KV-cache. A key advantage is its runtime-tunable compression level, allowing operators to dynamically adjust the memory footprint, a flexibility absent in methods requiring fixed offline configurations. This combination of a decompression-free design, high performance under compression, and adaptability makes SWAN a practical and efficient solution for serving LLMs with long contexts.
Authors: Sanjeev Manivannan (Indian Institute of Technology Madras), Chandrashekar Lakshminarayan (Indian Institute of Technology Madras)
Abstract: Cross-subject motor-imagery decoding remains a major challenge in EEG-based brain-computer interfaces due to strong subject variability and the curved geometry of covariance matrices on the symmetric positive definite (SPD) manifold. We address the zero-shot cross-subject setting, where no target-subject labels or adaptation are allowed, by introducing novel geometry-aware preprocessing modules and deep congruence networks that operate directly on SPD covariance matrices. Our preprocessing modules, DCR and RiFU, extend Riemannian Alignment by improving action separation while reducing subject-specific distortions. We further propose two manifold classifiers, SPD-DCNet and RiFUNet, which use hierarchical congruence transforms to learn discriminative, subject-invariant covariance representations. On the BCI-IV 2a benchmark, our framework improves cross-subject accuracy by 3-4% over the strongest classical baselines, demonstrating the value of geometry-aware transformations for robust EEG decoding.
Authors: German Gritsai, Megan Richards, Maxime M\'eloux, Kyunghyun Cho, Maxime Peyrard
Abstract: We propose a fully data-driven approach to designing mutual information (MI) estimators. Since any MI estimator is a function of the observed sample from two random variables, we parameterize this function with a neural network (MIST) and train it end-to-end to predict MI values. Training is performed on a large meta-dataset of 625,000 synthetic joint distributions with known ground-truth MI. To handle variable sample sizes and dimensions, we employ a two-dimensional attention scheme ensuring permutation invariance across input samples. To quantify uncertainty, we optimize a quantile regression loss, enabling the estimator to approximate the sampling distribution of MI rather than return a single point estimate. This research program departs from prior work by taking a fully empirical route, trading universal theoretical guarantees for flexibility and efficiency. Empirically, the learned estimators largely outperform classical baselines across sample sizes and dimensions, including on joint distributions unseen during training. The resulting quantile-based intervals are well-calibrated and more reliable than bootstrap-based confidence intervals, while inference is orders of magnitude faster than existing neural baselines. Beyond immediate empirical gains, this framework yields trainable, fully differentiable estimators that can be embedded into larger learning pipelines. Moreover, exploiting MI's invariance to invertible transformations, meta-datasets can be adapted to arbitrary data modalities via normalizing flows, enabling flexible training for diverse target meta-distributions.
Authors: Qisen Chai, Yansong Wang, Junjie Huang, Tao Jia
Abstract: As graph-structured data grow increasingly large, evaluating their robustness under adversarial attacks becomes computationally expensive and difficult to scale. To address this challenge, we propose to compress graphs into compact representations that preserve both topological structure and robustness profile, enabling efficient and reliable evaluation.We propose Cutter, a dual-agent reinforcement learning framework composed of a Vital Detection Agent (VDA) and a Redundancy Detection Agent (RDA), which collaboratively identify structurally vital and redundant nodes for guided compression. Cutter incorporates three key strategies to enhance learning efficiency and compression quality: trajectory-level reward shaping to transform sparse trajectory returns into dense, policy-equivalent learning signals; prototype-based shaping to guide decisions using behavioral patterns from both highand low-return trajectories; and cross-agent imitation to enable safer and more transferable exploration. Experiments on multiple real-world graphs demonstrate that Cutter generates compressed graphs that retain essential static topological properties and exhibit robustness degradation trends highly consistent with the original graphs under various attack scenarios, thereby significantly improving evaluation efficiency without compromising assessment fidelity.
Authors: Lei Xiao, Jifeng Li, Juntao Gao, Feiyang Ye, Yan Jin, Jingjing Qian, Jing Zhang, Yong Wu, Xiaoyuan Yu
Abstract: Vision-Language-Action (VLA) models have demonstrated remarkable capabilities in embodied AI tasks. However, existing VLA models, often built upon Vision-Language Models (VLMs), typically process dense visual inputs independently at each timestep. This approach implicitly models the task as a Markov Decision Process (MDP). However, this history-agnostic design is suboptimal for effective visual token processing in dynamic sequential decision-making, as it fails to leverage the context of history. To address this limitation, we reformulate the problem from a Partially Observable Markov Decision Process (POMDP) perspective and propose a novel framework named AVA-VLA. Inspired by the POMDP that the action generation should be conditioned on the belief state. AVA-VLA introduces Active Visual Attention (AVA) to dynamically modulate visual processing. It achieves this by leveraging the recurrent state, which is a neural approximation of the agent's belief state derived from the previous decision step. Specifically, the AVA module uses the recurrent state to compute the soft weights to actively process task-relevant visual tokens based on its historical context. Comprehensive evaluations demonstrate that AVA-VLA achieves state-of-the-art performance across popular robotic benchmarks, including LIBERO and CALVIN. Furthermore, real-world deployments on a dual-arm robot platform validate the framework's practical applicability and robust sim-to-real transferability.
Authors: Xin Yuan, Siqi Li, Jiateng Wei, Chengrui Zhu, Yanming Wu, Qingpeng Li, Jiajun Lv, Xiaoke Lan, Jun Chen, Yong Liu
Abstract: Pruning is an effective method for compressing Large Language Models, but finding an optimal, non-uniform layer-wise sparsity allocation remains a key challenge. While heuristic methods are fast but yield suboptimal performance, more powerful search-based approaches like Reinforcement Learning are often hindered by prohibitive computational costs on large-scale models. To overcome this efficiency barrier, we propose FastForward Pruning. Its core is a decoupled, single-step RL framework that separates policy optimization from the complex budget satisfaction problem. Such a decoupling is crucial for efficiently searching the vast policy space of LLMs. This curriculum-based strategy begins with low-cost, simple tasks and gradually increases in complexity, significantly reducing the search's computational overhead. Evaluated on the LLaMA, Mistral, and OPT model families, our framework discovers pruning policies that achieve superior performance over strong heuristic baselines. Crucially, when compared to other search-based algorithms, our method achieves competitive or superior results at a fraction of the computational cost, demonstrating a clear advantage in search efficiency.
Authors: Donghu Kim
Abstract: The challenge of building neural networks that can continuously learn and adapt to evolving data streams is central to the fields of continual learning (CL) and reinforcement learning (RL). This lifelong learning problem is often framed in terms of the plasticity-stability dilemma, focusing on issues like loss of plasticity and catastrophic forgetting. Unlike neural networks, biological brains maintain plasticity through capacity growth, inspiring researchers to explore similar approaches in artificial networks, such as adding capacity dynamically. Prior solutions often lack parameter efficiency or depend on explicit task indices, but Mixture-of-Experts (MoE) architectures offer a promising alternative by specializing experts for distinct distributions. This paper aims to evaluate a DynamicMoE approach for continual and reinforcement learning environments and benchmark its effectiveness against existing network expansion methods.
Authors: Nguyen Duc Minh Quang, Chang Liu, Huy-Trung Nguyen, Shuangyang Li, Derrick Wing Kwan Ng, Wei Xiang
Abstract: Low-altitude wireless networks (LAWN) are rapidly expanding with the growing deployment of unmanned aerial vehicles (UAVs) for logistics, surveillance, and emergency response. Reliable connectivity remains a critical yet challenging task due to three-dimensional (3D) mobility, time-varying user density, and limited power budgets. The transmit power of base stations (BSs) fluctuates dynamically according to user locations and traffic demands, leading to a highly non-stationary 3D radio environment. Radio maps (RMs) have emerged as an effective means to characterize spatial power distributions and support radio-aware network optimization. However, most existing works construct static or offline RMs, overlooking real-time power variations and spatio-temporal dependencies in multi-UAV networks. To overcome this limitation, we propose a {3D dynamic radio map (3D-DRM)} framework that learns and predicts the spatio-temporal evolution of received power. Specially, a Vision Transformer (ViT) encoder extracts high-dimensional spatial representations from 3D RMs, while a Transformer-based module models sequential dependencies to predict future power distributions. Experiments unveil that 3D-DRM accurately captures fast-varying power dynamics and substantially outperforms baseline models in both RM reconstruction and short-term prediction.
Authors: Yuting Gao, Weihao Chen, Lan Wang, Ruihan Xu, Qingpei Guo
Abstract: Preference learning has recently emerged as a pivotal strategy for post-training alignment of Multimodal Large Language Models (MLLMs). However, existing approaches predominantly rely on external human-annotated preference data, which is costly and labor-intensive to collect. In this work, we propose OrdMoE, a novel preference alignment framework that bypasses the reliance on external human preferences entirely by leveraging intrinsic signals within Mixture-of-Experts (MoE) architectures. Specifically, we observe that the router's expert selection scores implicitly encode a quality-aware ranking of responses (i.e. higher-scoring experts consistently generate higher-quality outputs). Building on this insight, OrdMoE constructs an internal preference hierarchy by grouping experts into ranked tiers based on their per-token routing scores and activating each tier separately to produce a sequence of responses with increasing quality. This yields a zero-cost, self-supervised preference ordering over generated responses, which can be directly optimized using standard preference learning objectives. Extensive experiments across multiple multimodal benchmarks demnstrate that OrdMoE significantly enhances both alignment and overall performance of multimodal Mixture-of-Experts LLMs, achieving competitive results without requiring any human-annotated preference data.
Authors: Zimo Yan, Zheng Xie, Chang Liu, Yuan Wang
Abstract: Message passing graph neural networks are widely used for learning on graphs, yet their expressive power is limited by the one-dimensional Weisfeiler-Lehman test and can fail to distinguish structurally different nodes. We provide rigorous theory for a Laplacian positional encoding that is invariant to eigenvector sign flips and to basis rotations within eigenspaces. We prove that this encoding yields node identifiability from a constant number of observations and establishes a sample-complexity separation from architectures constrained by the Weisfeiler-Lehman test. The analysis combines a monotone link between shortest-path and diffusion distance, spectral trilateration with a constant set of anchors, and quantitative spectral injectivity with logarithmic embedding size. As an instantiation, pairing this encoding with a neural-process style decoder yields significant gains on a drug-drug interaction task on chemical graphs, improving both the area under the ROC curve and the F1 score and demonstrating the practical benefits of resolving theoretical expressiveness limitations with principled positional information.
Authors: Xiangyu Chang, Manyi Yao, Srikanth V. Krishnamurthy, Christian R. Shelton, Anirban Chakraborty, Ananthram Swami, Samet Oymak, Amit Roy-Chowdhury
Abstract: In Asynchronous Federated Learning (AFL), the central server immediately updates the global model with each arriving client's contribution. As a result, clients perform their local training on different model versions, causing information staleness (delay). In federated environments with non-IID local data distributions, this asynchronous pattern amplifies the adverse effect of client heterogeneity (due to different data distribution, local objectives, etc.), as faster clients contribute more frequent updates, biasing the global model. We term this phenomenon heterogeneity amplification. Our work provides a theoretical analysis that maps AFL design choices to their resulting error sources when heterogeneity amplification occurs. Guided by our analysis, we propose ACE (All-Client Engagement AFL), which mitigates participation imbalance through immediate, non-buffered updates that use the latest information available from all clients. We also introduce a delay-aware variant, ACED, to balance client diversity against update staleness. Experiments on different models for different tasks across diverse heterogeneity and delay settings validate our analysis and demonstrate the robust performance of our approaches.
Authors: Ziyun Li, Ben Dai, Huancheng Hu, Henrik Bostr\"om, Soon Hoe Lim
Abstract: Flow-based generative models synthesize data by integrating a learned velocity field from a reference distribution to the target data distribution. Prior work has focused on endpoint metrics (e.g., fidelity, likelihood, perceptual quality) while overlooking a deeper question: what do the sampling trajectories reveal? Motivated by classical mechanics, we introduce kinetic path energy (KPE), a simple yet powerful diagnostic that quantifies the total kinetic effort along each generation path of ODE-based samplers. Through comprehensive experiments on CIFAR-10 and ImageNet-256, we uncover two key phenomena: ({i}) higher KPE predicts stronger semantic quality, indicating that semantically richer samples require greater kinetic effort, and ({ii}) higher KPE inversely correlates with data density, with informative samples residing in sparse, low-density regions. Together, these findings reveal that semantically informative samples naturally reside on the sparse frontier of the data distribution, demanding greater generative effort. Our results suggest that trajectory-level analysis offers a physics-inspired and interpretable framework for understanding generation difficulty and sample characteristics.
Authors: Shenghan Zhao, Yuzhen Lin, Ximeng Yang, Qiaochu Lu, Haozhong Xue, Gaozhe Jiang
Abstract: The advent of financial technology has witnessed a surge in the utilization of deep learning models to anticipate consumer conduct, a trend that has demonstrated considerable potential in enhancing lending strategies and bolstering market efficiency. We study multi-horizon demand forecasting on e-commerce transactions using the UCI Online Retail II dataset. Unlike prior versions of this manuscript that mixed financial-loan narratives with retail data, we focus exclusively on retail market behavior and define a clear prediction target: per SKU daily demand (or revenue) for horizons H=1,7,14. We present a hybrid sequence model that combines multi-scale temporal convolutions, a gated recurrent module, and time-aware self-attention. The model is trained with standard regression losses and evaluated under MAE, RMSE, sMAPE, MASE, and Theil's U_2 with strict time-based splits to prevent leakage. We benchmark against ARIMA/Prophet, LSTM/GRU, LightGBM, and state-of-the-art Transformer forecasters (TFT, Informer, Autoformer, N-BEATS). Results show consistent accuracy gains and improved robustness on peak/holiday periods. We further provide ablations and statistical significance tests to ensure the reliability of improvements, and we release implementation details to facilitate reproducibility.
Authors: Dora Krekovic, Mario Kusek, Ivana Podnar Zarko, Danh Le-Phuoc
Abstract: The rapid growth of IoT devices has led to an enormous amount of sensor data that requires transmission to cloud servers for processing, resulting in excessive network congestion, increased latency and high energy consumption. This is particularly problematic in resource-constrained and remote environments where bandwidth is limited, and battery-dependent devices further emphasize the problem. Moreover, in domains such as agriculture, consecutive sensor readings often have minimal variation, making continuous data transmission inefficient and unnecessarily resource intensive. To overcome these challenges, we propose an analytical prediction algorithm designed for edge computing environments and validated through simulation. The proposed solution utilizes a predictive filter at the network edge that forecasts the next sensor data point and triggers data transmission only when the deviation from the predicted value exceeds a predefined tolerance. A complementary cloud-based model ensures data integrity and overall system consistency. This dual-model strategy effectively reduces communication overhead and demonstrates potential for improving energy efficiency by minimizing redundant transmissions. In addition to reducing communication load, our approach leverages both in situ and satellite observations from the same locations to enhance model robustness. It also supports cross-site generalization, enabling models trained in one region to be effectively deployed elsewhere without retraining. This makes our solution highly scalable, energy-aware, and well-suited for optimizing sensor data transmission in remote and bandwidth-constrained IoT environments.
Authors: Robert Bredereck, Eva Deltl, Leon Kellerhals, Jannik Peters
Abstract: We study core stability in non-centroid clustering under the max-loss objective, where each agent's loss is the maximum distance to other members of their cluster. We prove that for all $k\geq 3$ there exist metric instances with $n\ge 9$ agents, with $n$ divisible by $k$, for which no clustering lies in the $\alpha$-core for any $\alpha<2^{\frac{1}{5}}\sim 1.148$. The bound is tight for our construction. Using a computer-aided proof, we also identify a two-dimensional Euclidean point set whose associated lower bound is slightly smaller than that of our general construction. This is, to our knowledge, the first impossibility result showing that the core can be empty in non-centroid clustering under the max-loss objective.
Authors: Krishang Sharma
Abstract: Accurate Remaining Useful Life (RUL) prediction coupled with uncertainty quantification remains a critical challenge in aerospace prognostics. This research introduces a novel uncertainty-aware deep learning framework that learns aleatoric uncertainty directly through probabilistic modeling, an approach unexplored in existing CMAPSS-based literature. Our hierarchical architecture integrates multi-scale Inception blocks for temporal pattern extraction, bidirectional Long Short-Term Memory networks for sequential modeling, and a dual-level attention mechanism operating simultaneously on sensor and temporal dimensions. The innovation lies in the Bayesian output layer that predicts both mean RUL and variance, enabling the model to learn data-inherent uncertainty. Comprehensive preprocessing employs condition-aware clustering, wavelet denoising, and intelligent feature selection. Experimental validation on NASA CMAPSS benchmarks (FD001-FD004) demonstrates competitive overall performance with RMSE values of 16.22, 19.29, 16.84, and 19.98 respectively. Remarkably, our framework achieves breakthrough critical zone performance (RUL <= 30 cycles) with RMSE of 5.14, 6.89, 5.27, and 7.16, representing 25-40 percent improvements over conventional approaches and establishing new benchmarks for safety-critical predictions. The learned uncertainty provides well-calibrated 95 percent confidence intervals with coverage ranging from 93.5 percent to 95.2 percent, enabling risk-aware maintenance scheduling previously unattainable in CMAPSS literature.
Authors: Prateek Garg, Bhavya Kohli, Sunita Sarawagi
Abstract: Masked Diffusion Models (MDMs) have emerged as one of the most promising paradigms for generative modeling over discrete domains. It is known that MDMs effectively train to decode tokens in a random order, and that this ordering has significant performance implications in practice. This observation raises a fundamental question: can we design a training framework that optimizes for a favorable decoding order? We answer this in the affirmative, showing that the continuous-time variational objective of MDMs, when equipped with multivariate noise schedules, can identify and optimize for a decoding order during training. We establish a direct correspondence between decoding order and the multivariate noise schedule and show that this setting breaks invariance of the MDM objective to the noise schedule. Furthermore, we prove that the MDM objective decomposes precisely into a weighted auto-regressive losses over these orders, which establishes them as auto-regressive models with learnable orders.
Authors: Fabian Schramm, Nicolas Perrin-Gilbert, Justin Carpentier
Abstract: We propose a refinement of temporal-difference learning that enforces first-order Bellman consistency: the learned value function is trained to match not only the Bellman targets in value but also their derivatives with respect to states and actions. By differentiating the Bellman backup through differentiable dynamics, we obtain analytically consistent gradient targets. Incorporating these into the critic objective using a Sobolev-type loss encourages the critic to align with both the value and local geometry of the target function. This first-order TD matching principle can be seamlessly integrated into existing algorithms, such as Q-learning or actor-critic methods (e.g., DDPG, SAC), potentially leading to faster critic convergence and more stable policy gradients without altering their overall structure.
Authors: Deyi Ji, Yuekui Yang, Liqun Liu, Peng Shu, Haiyang Wu, Shaogang Tang, Xudong Chen, Shaoping Ma, Tianrun Chen, Lanyun Zhu
Abstract: Advertising (Ad) is a cornerstone of the digital economy, yet the moderation of video advertisements remains a significant challenge due to their complexity and the need for precise violation localization. While recent advancements, such as the RAVEN model, have improved coarse-grained violation detection, critical gaps persist in fine-grained understanding, explainability, and generalization. To address these limitations, we propose RAVEN++, a novel framework that introduces three key innovations: 1) Active Reinforcement Learning (RL), which dynamically adapts training to samples of varying difficulty; 2) Fine-Grained Violation Understanding, achieved through hierarchical reward functions and reasoning distillation; and 3) Progressive Multi-Stage Training, which systematically combines knowledge injection, curriculum-based passive RL, and active RL. Extensive experiments on both public and proprietary datasets, on both offline scenarios and online deployed A/B Testing, demonstrate that RAVEN++ outperforms general-purpose LLMs and specialized models like RAVEN in terms of fine-grained violation understanding, reasoning capabilities, and generalization ability.
Authors: Jeeho Shin, Kyungho Kim, Kijung Shin
Abstract: Recipe recommendation has become an essential task in web-based food platforms. A central challenge is effectively leveraging rich multimodal features beyond user-recipe interactions. Our analysis shows that even simple uses of multimodal signals yield competitive performance, suggesting that systematic enhancement of these signals is highly promising. We propose TESMR, a 3-stage framework for recipe recommendation that progressively refines raw multimodal features into effective embeddings through: (1) content-based enhancement using foundation models with multimodal comprehension, (2) relation-based enhancement via message propagation over user-recipe interactions, and (3) learning-based enhancement through contrastive learning with learnable embeddings. Experiments on two real-world datasets show that TESMR outperforms existing methods, achieving 7-15% higher Recall@10.
Authors: Minxin Chen
Abstract: Many real-world bandit problems involve non-stationary reward distributions, where the optimal decision may shift due to evolving environments. However, the performance of some typical Multi-Armed Bandit (MAB) models such as Upper Confidence Bound (UCB) algorithms degrades significantly in non-stationary environments where reward distributions change over time. To address this limitation, this paper introduces and evaluates FDSW-UCB, a novel dual-view algorithm that integrates a discount-based long-term perspective with a sliding-window-based short-term view. A data-driven semi-synthetic simulation platform, built upon the MovieLens-1M and Open Bandit datasets, is developed to test algorithm adaptability under abrupt and gradual drift scenarios. Experimental results demonstrate that a well-configured sliding-window mechanism (SW-UCB) is robust, while the widely used discounting method (D-UCB) suffers from a fundamental learning failure, leading to linear regret. Crucially, the proposed FDSW-UCB, when employing an optimistic aggregation strategy, achieves superior performance in dynamic settings, highlighting that the ensemble strategy itself is a decisive factor for success.
Authors: David Stenger, Armin Lindicke, Alexander von Rohr, Sebastian Trimpe
Abstract: Searching large and complex design spaces for a global optimum can be infeasible and unnecessary. A practical alternative is to iteratively refine the neighborhood of an initial design using local optimization methods such as gradient descent. We propose local entropy search (LES), a Bayesian optimization paradigm that explicitly targets the solutions reachable by the descent sequences of iterative optimizers. The algorithm propagates the posterior belief over the objective through the optimizer, resulting in a probability distribution over descent sequences. It then selects the next evaluation by maximizing mutual information with that distribution, using a combination of analytic entropy calculations and Monte-Carlo sampling of descent sequences. Empirical results on high-complexity synthetic objectives and benchmark problems show that LES achieves strong sample efficiency compared to existing local and global Bayesian optimization methods.
Authors: Boyuan Wu
Abstract: Cooperative Multi-Agent Reinforcement Learning (MARL) faces two major design bottlenecks: crafting dense reward functions and constructing curricula that avoid local optima in high-dimensional, non-stationary environments. Existing approaches rely on fixed heuristics or use Large Language Models (LLMs) directly in the control loop, which is costly and unsuitable for real-time systems. We propose MAESTRO (Multi-Agent Environment Shaping through Task and Reward Optimization), a framework that moves the LLM outside the execution loop and uses it as an offline training architect. MAESTRO introduces two generative components: (i) a semantic curriculum generator that creates diverse, performance-driven traffic scenarios, and (ii) an automated reward synthesizer that produces executable Python reward functions adapted to evolving curriculum difficulty. These components guide a standard MARL backbone (MADDPG) without increasing inference cost at deployment. We evaluate MAESTRO on large-scale traffic signal control (Hangzhou, 16 intersections) and conduct controlled ablations. Results show that combining LLM-generated curricula with LLM-generated reward shaping yields improved performance and stability. Across four seeds, the full system achieves +4.0% higher mean return (163.26 vs. 156.93) and 2.2% better risk-adjusted performance (Sharpe 1.53 vs. 0.70) over a strong curriculum baseline. These findings highlight LLMs as effective high-level designers for cooperative MARL training.
Authors: Kyle Verrier, Achille Nazaret, Joseph Futoma, Andrew C. Miller, Guillermo Sapiro
Abstract: Hunger and satiety dynamics shape dietary behaviors and metabolic health, yet remain difficult to capture in everyday settings. We present a Nutrition Photoplethysmography Language Model (NPLM), integrating continuous photoplethysmography (PPG) from wearables with meal descriptions. NPLM projects PPG into embeddings interpretable by language models, enabling joint reasoning over physiology and meal context. Trained on 19,340 participants and 1.1 million meal-PPG pairs, the model improved daily caloric intake prediction by 11% over text-only baselines, with accuracy maintained when 80% of meal text was removed. In an independent validation study (n=140) with controlled dining and detailed meal information, the model replicated these findings. These results demonstrate the value of integrating physiological measurements from consumer wearables with meal information for noninvasive dietary monitoring at scale.
Authors: Lucas Li, Jean-Baptiste Puel, Florence Carton, Dounya Barrit, Jhony H. Giraldo
Abstract: Perovskite solar cells are promising candidates for next-generation photovoltaics. However, their performance as multi-scale devices is determined by complex interactions between their constituent layers. This creates a vast combinatorial space of possible materials and device architectures, making the conventional experimental-based screening process slow and expensive. Machine learning models try to address this problem, but they only focus on individual material properties or neglect the important geometric information of the perovskite crystal. To address this problem, we propose to predict perovskite solar cell power conversion efficiency with a geometric-aware co-attention (Solar-GECO) model. Solar-GECO combines a geometric graph neural network (GNN) - that directly encodes the atomic structure of the perovskite absorber - with language model embeddings that process the textual strings representing the chemical compounds of the transport layers and other device components. Solar-GECO also integrates a co-attention module to capture intra-layer dependencies and inter-layer interactions, while a probabilistic regression head predicts both power conversion efficiency (PCE) and its associated uncertainty. Solar-GECO achieves state-of-the-art performance, significantly outperforming several baselines, reducing the mean absolute error (MAE) for PCE prediction from 3.066 to 2.936 compared to semantic GNN (the previous state-of-the-art model). Solar-GECO demonstrates that integrating geometric and textual information provides a more powerful and accurate framework for PCE prediction.
Authors: Amirtha Varshini A S, Duminda S. Ranasinghe, Hok Hei Tam
Abstract: Generative Flow Networks, or GFlowNets, offer a promising framework for molecular design, but their internal decision policies remain opaque. This limits adoption in drug discovery, where chemists require clear and interpretable rationales for proposed structures. We present an interpretability framework for SynFlowNet, a GFlowNet trained on documented chemical reactions and purchasable starting materials that generates both molecules and the synthetic routes that produce them. Our approach integrates three complementary components. Gradient based saliency combined with counterfactual perturbations identifies which atomic environments influence reward and how structural edits change molecular outcomes. Sparse autoencoders reveal axis aligned latent factors that correspond to physicochemical properties such as polarity, lipophilicity, and molecular size. Motif probes show that functional groups including aromatic rings and halogens are explicitly encoded and linearly decodable from the internal embeddings. Together, these results expose the chemical logic inside SynFlowNet and provide actionable and mechanistic insight that supports transparent and controllable molecular design.
Authors: Bianka Kowalska, Halina Kwa\'snicka
Abstract: The black box nature of deep neural networks poses a significant challenge for the deployment of transparent and trustworthy artificial intelligence (AI) systems. With the growing presence of AI in society, it becomes increasingly important to develop methods that can explain and interpret the decisions made by these systems. To address this, mechanistic interpretability (MI) emerged as a promising and distinctive research program within the broader field of explainable artificial intelligence (XAI). MI is the process of studying the inner computations of neural networks and translating them into human-understandable algorithms. It encompasses reverse engineering techniques aimed at uncovering the computational algorithms implemented by neural networks. In this article, we propose a unified taxonomy of MI approaches and provide a detailed analysis of key techniques, illustrated with concrete examples and pseudo-code. We contextualize MI within the broader interpretability landscape, comparing its goals, methods, and insights to other strands of XAI. Additionally, we trace the development of MI as a research area, highlighting its conceptual roots and the accelerating pace of recent work. We argue that MI holds significant potential to support a more scientific understanding of machine learning systems -- treating models not only as tools for solving tasks, but also as systems to be studied and understood. We hope to invite new researchers into the field of mechanistic interpretability.
Authors: Manish Singh, Arpita Dayama
Abstract: This work evaluates the effectiveness of spatiotemporal Graph Neural Networks (GNNs) for multi-store retail sales forecasting and compares their performance against ARIMA, LSTM, and XGBoost baselines. Using weekly sales data from 45 Walmart stores, we construct a relational forecasting framework that models inter-store dependencies through a learned adaptive graph. The proposed STGNN predicts log-differenced sales and reconstructs final values through a residual path, enabling stable training and improved generalisation. Experiments show that STGNN achieves the lowest overall forecasting error, outperforming all baselines in Normalised Total Absolute Error, P90 MAPE, and variance of MAPE across stores. Analysis of the learned adjacency matrix reveals meaningful functional store clusters and high-influence nodes that emerge without geographic metadata. These results demonstrate that relational structure significantly improves forecast quality in interconnected retail environments and establishes STGNNs as a robust modelling choice for multi-store demand prediction.
Authors: Minseo Kim, Chenfeng Xu, Coleman Hooper, Harman Singh, Ben Athiwaratkun, Ce Zhang, Kurt Keutzer, Amir Gholami
Abstract: Diffusion Language Models (DLMs) offer a promising parallel generation paradigm but suffer from slow inference due to numerous refinement steps and the inability to use standard KV caching. We introduce CDLM (Consistency Diffusion Language Models), a training-based acceleration method that simultaneously tackles both bottlenecks. CDLM integrates consistency modeling to drastically reduce the number of required sampling steps by enabling multi-token finalization. Furthermore, we enforce a block-wise causal attention mask during fine-tuning, making the model fully compatible with KV caching. Experiments show CDLM achieves 3.6x-14.5x lower latency while maintaining competitive accuracy on math and coding tasks. The full training and evaluation code is available at https://github.com/SqueezeAILab/CDLM.
Authors: Felix Birkel
Abstract: We present Tiny-TSM, a time series foundation model characterized by small scale, economical training, and state-of-the-art performance. It comprises 23M total parameters, trained on a single A100 GPU in less than a week using a new synthetic data generation and data augmentation pipeline (SynthTS). Without any neural architecture search, hyperparameter tuning, or scaling up model size, Tiny-TSM achieves state-of-the-art performance on a wide range of time series benchmark datasets, often outperforming much larger models and even matching the performance of much larger, industrial-scale, likely highly tuned foundation models. Specifically, Tiny-TSM outperforms all other time series foundation models we evaluated on medium- and long-term forecasting tasks under MSE loss, while short-term accuracy is still competitive with state-of-the-art models. We also introduce a causal input normalization scheme that enables time series models to be trained with dense next-token prediction loss, significantly accelerating convergence speed and reducing training time. All experiments were conducted on a single A100 GPU, illustrating the practicality of the proposed approach in a resource-constrained setting.
Authors: Kunal Dumbre, Lei Jiao, Ole-Christoffer Granmo
Abstract: The PC algorithm is a widely used method in causal inference for learning the structure of Bayesian networks. Despite its popularity, the PC algorithm suffers from significant time complexity, particularly as the size of the dataset increases, which limits its applicability in large-scale real-world problems. In this study, we propose a novel approach that utilises the Tsetlin Machine (TM) to construct Bayesian structures more efficiently. Our method leverages the most significant literals extracted from the TM and performs conditional independence (CI) tests on these selected literals instead of the full set of variables, resulting in a considerable reduction in computational time. We implemented our approach and compared it with various state-of-the-art methods. Our evaluation includes categorical datasets from the bnlearn repository, such as Munin1, Hepar2. The findings indicate that the proposed TM-based method not only reduces computational complexity but also maintains competitive accuracy in causal discovery, making it a viable alternative to traditional PC algorithm implementations by offering improved efficiency without compromising performance.
Authors: Brittany V. Lancellotti, Jordan M. Malof, Aaron Davitt, Gavin McCormick, Shelby Anderson, Pol Carb\'o-Mestre, Gary Collins, Verity Crane, Zoheyr Doctor, George Ebri, Kevin Foster, Trey M. Gowdy, Michael Guzzardi, John Heal, Heather Hunter, David Kroodsma, Khandekar Mahammad Galib, Paul J. Markakis, Gavin McDonald, Daniel P. Moore, Eric D. Nguyen, Sabina Parvu, Michael Pekala, Christine D. Piatko, Amy Piscopo, Mark Powell, Krsna Raniga, Elizabeth P. Reilly, Michael Robinette, Ishan Saraswat, Patrick Sicurello, Isabella S\"oldner-Rembold, Raymond Song, Charlotte Underwood, Kyle Bradbury
Abstract: Global greenhouse gas emissions estimates are essential for monitoring and mitigation planning. Yet most datasets lack one or more characteristics that enhance their actionability, such as accuracy, global coverage, high spatial and temporal resolution, and frequent updates. To address these gaps, we present Climate TRACE (climatetrace.org), an open-access platform delivering global emissions estimates with enhanced detail, coverage, and timeliness. Climate TRACE synthesizes existing emissions data, prioritizing accuracy, coverage, and resolution, and fills gaps using sector-specific estimation approaches. The dataset is the first to provide globally comprehensive emissions estimates for individual sources (e.g., individual power plants) for all anthropogenic emitting sectors. The dataset spans January 1, 2021, to the present, with a two-month reporting lag and monthly updates. The open-access platform enables non-technical audiences to engage with detailed emissions datasets for most subnational governments worldwide. Climate TRACE supports data-driven climate action at scales where decisions are made, representing a major breakthrough for emissions accounting and mitigation.
Authors: Victor Rambaud, Salvador Mascarenhas, Yair Lakretz
Abstract: A cognitive map is an internal model which encodes the abstract relationships among entities in the world, giving humans and animals the flexibility to adapt to new situations, with a strong out-of-distribution (OOD) generalization that current AI systems still do not possess. To bridge this gap, we introduce MapFormers, new architectures based on Transformer models, which can learn cognitive maps from observational data and perform path integration in parallel, in a self-supervised manner. Cognitive maps are learned in the model by disentangling structural relationships in the inputs from their specific content, a property that can be achieved naturally by updating the positional encoding in Transformers with input-dependent matrices. We developed two variants of MapFormers that unify absolute and relative positional encoding to model episodic (EM) and working memory (WM), respectively. We tested MapFormers on several tasks, including a classic 2D navigation task, showing that our models can learn a cognitive map of the underlying space and generalize OOD (e.g., to longer sequences) with near-perfect performance, unlike current architectures. Together, these results demonstrate the superiority of models designed to learn a cognitive map, and the importance of introducing a structural bias for structure-content disentanglement, which can be achieved in Transformers with input-dependent positional encoding. MapFormers have broad applications in both neuroscience and AI, by explaining the neural mechanisms giving rise to cognitive maps, while allowing these relation models to be learned at scale.
Authors: James R. M. Black, Moritz S. Hanke, Aaron Maiwald, Tina Hernandez-Boussard, Oliver M. Crook, Jaspreet Pannu
Abstract: Novel deep learning architectures are increasingly being applied to biological data, including genetic sequences. These models, referred to as genomic language mod- els (gLMs), have demonstrated impressive predictive and generative capabilities, raising concerns that such models may also enable misuse, for instance via the generation of genomes for human-infecting viruses. These concerns have catalyzed calls for risk mitigation measures. The de facto mitigation of choice is filtering of pretraining data (i.e., removing viral genomic sequences from training datasets) in order to limit gLM performance on virus-related tasks. However, it is not currently known how robust this approach is for securing open-source models that can be fine-tuned using sensitive pathogen data. Here, we evaluate a state-of-the-art gLM, Evo 2, and perform fine-tuning using sequences from 110 harmful human-infecting viruses to assess the rescue of misuse-relevant predictive capabilities. The fine- tuned model exhibited reduced perplexity on unseen viral sequences relative to 1) the pretrained model and 2) a version fine-tuned on bacteriophage sequences. The model fine-tuned on human-infecting viruses also identified immune escape variants from SARS-CoV-2 (achieving an AUROC of 0.6), despite having no expo- sure to SARS-CoV-2 sequences during fine-tuning. This work demonstrates that data exclusion might be circumvented by fine-tuning approaches that can, to some degree, rescue misuse-relevant capabilities of gLMs. We highlight the need for safety frameworks for gLMs and outline further work needed on evaluations and mitigation measures to enable the safe deployment of gLMs.
Authors: Rohan Saha, Farzane Aminmansour, Alona Fyshe
Abstract: While transformers can discover latent structure from context, the dynamics of how they acquire different components of the latent structure remain poorly understood. In this work, we use the Alchemy benchmark, to investigate the dynamics of latent structure learning. We train a small decoder-only transformer on three task variants: 1) inferring missing rules from partial contextual information, 2) composing simple rules to solve multi-step sequences, and 3) decomposing complex multi-step examples to infer intermediate steps. By factorizing each task into interpretable events, we show that the model acquires capabilities in discrete stages, first learning the coarse grained rules, before learning the complete latent structure. We also identify a crucial asymmetry, where the model can compose fundamental rules robustly, but struggles to decompose complex examples to discover the fundamental rules. These findings offer new insights into understanding how a transformer model learns latent structures, providing a granular view of how these capabilities evolve during training.
Authors: Dominik Luszczynski
Abstract: A common method of attacking deep learning models is through adversarial attacks, which occur when an attacker specifically modifies the input of a model to produce an incorrect result. Adversarial attacks have been deeply investigated in the image domain; however, there is less research in the time-series domain and very little for forecasting financial data. To address these concerns, this study aims to build upon previous research on adversarial attacks for time-series data by introducing two new slope-based methods aimed to alter the trends of the predicted stock forecast generated by an N-HiTS model. Compared to the normal N-HiTS predictions, the two new slope-based methods, the General Slope Attack and Least-Squares Slope Attack, can manipulate N-HiTS predictions by doubling the slope. These new slope attacks can bypass standard security mechanisms, such as a discriminator that filters real and perturbed inputs, reducing a 4-layered CNN's specificity to 28% and accuracy to 57%. Furthermore, the slope based methods were incorporated into a GAN architecture as a means of generating realistic synthetic data, while simultaneously fooling the model. Finally, this paper also proposes a sample malware designed to inject an adversarial attack in the model inference library, proving that ML-security research should not only focus on making the model safe, but also securing the entire pipeline.
Authors: Hari Chandana Kuchibhotla, K S Ananth, Vineeth N Balasubramanian
Abstract: Despite significant progress in continual learning ranging from architectural novelty to clever strategies for mitigating catastrophic forgetting most existing methods rest on a strong but unrealistic assumption the availability of labeled data throughout the learning process. In real-world scenarios, however, data often arrives sequentially and without annotations, rendering conventional approaches impractical. In this work, we revisit the fundamental assumptions of continual learning and ask: Can current systems adapt when labels are absent and tasks emerge incrementally over time? To this end, we introduce Annotation-Free Class-Incremental Learning (AFCIL), a more realistic and challenging paradigm where unlabeled data arrives continuously, and the learner must incrementally acquire new classes without any supervision. To enable effective learning under AFCIL, we propose CrossWorld CL, a Cross Domain World Guided Continual Learning framework that incorporates external world knowledge as a stable auxiliary source. The method retrieves semantically related ImageNet classes for each downstream category, maps downstream and ImageNet features through a cross domain alignment strategy and finally introduce a novel replay strategy. This design lets the model uncover semantic structure without annotations while keeping earlier knowledge intact. Across four datasets, CrossWorld-CL surpasses CLIP baselines and existing continual and unlabeled learning methods, underscoring the benefit of world knowledge for annotation free continual learning.
Authors: Nikita Neveditsin, Pawan Lingras, Vijay Mago
Abstract: Clustering short text embeddings is a foundational task in natural language processing, yet remains challenging due to the need to specify the number of clusters in advance. We introduce a scalable spectral method that estimates the number of clusters directly from the structure of the Laplacian eigenspectrum, constructed using cosine similarities and guided by an adaptive sampling strategy. This sampling approach enables our estimator to efficiently scale to large datasets without sacrificing reliability. To support intrinsic evaluation of cluster quality without ground-truth labels, we propose the Cohesion Ratio, a simple and interpretable evaluation metric that quantifies how much intra-cluster similarity exceeds the global similarity background. It has an information-theoretic motivation inspired by mutual information, and in our experiments it correlates closely with extrinsic measures such as normalized mutual information and homogeneity. Extensive experiments on six short-text datasets and four modern embedding models show that standard algorithms like K-Means and HAC, when guided by our estimator, significantly outperform popular parameter-light methods such as HDBSCAN, OPTICS, and Leiden. These results demonstrate the practical value of our spectral estimator and Cohesion Ratio for unsupervised organization and evaluation of short text data. Implementation of our estimator of k and Cohesion Ratio, along with code for reproducing the experiments, is available at https://anonymous.4open.science/r/towards_clustering-0C2E.
URLs: https://anonymous.4open.science/r/towards_clustering-0C2E.
Authors: Franklin Cardenoso, Wouter Caarls
Abstract: The challenge of designing effective reward functions in reinforcement learning (RL) represents a significant bottleneck, often requiring extensive human expertise and being time-consuming. Previous work and recent advancements in large language models (LLMs) have demonstrated their potential for automating the generation of reward functions. However, existing methodologies often require preliminary evaluation metrics, human-engineered feedback for the refinement process, or the use of environmental source code as context. To address these limitations, this paper introduces LEARN-Opt (LLM-based Evaluator and Analyzer for Reward functioN Optimization). This LLM-based, fully autonomous, and model-agnostic framework eliminates the need for preliminary metrics and environmental source code as context to generate, execute, and evaluate reward function candidates from textual descriptions of systems and task objectives. LEARN-Opt's main contribution lies in its ability to autonomously derive performance metrics directly from the system description and the task objective, enabling unsupervised evaluation and selection of reward functions. Our experiments indicate that LEARN-Opt achieves performance comparable to or better to that of state-of-the-art methods, such as EUREKA, while requiring less prior knowledge. We find that automated reward design is a high-variance problem, where the average-case candidate fails, requiring a multi-run approach to find the best candidates. Finally, we show that LEARN-Opt can unlock the potential of low-cost LLMs to find high-performing candidates that are comparable to, or even better than, those of larger models. This demonstrated performance affirms its potential to generate high-quality reward functions without requiring any preliminary human-defined metrics, thereby reducing engineering overhead and enhancing generalizability.
Authors: Ariel Fargion, Lahav Dabah, Tom Tirer
Abstract: Conformal Prediction (CP) has emerged as a powerful statistical framework for high-stakes classification applications. Instead of predicting a single class, CP generates a prediction set, guaranteed to include the true label with a pre-specified probability. The performance of different CP methods is typically assessed by their average prediction set size. In setups where the classes can be partitioned into semantic groups, e.g., diseases that require similar treatment, users can benefit from prediction sets that are not only small on average, but also contain a small number of semantically different groups. This paper begins by addressing this problem and ultimately offers a widely applicable tool for boosting any CP method on any dataset. First, given a class partition, we propose augmenting the CP score function with a term that penalizes predictions with out-of-group errors. We theoretically analyze this strategy and prove its advantages for group-related metrics. Surprisingly, we show mathematically that, for common class partitions, it can also reduce the average set size of any CP score function. Our analysis reveals the class similarity factors behind this improvement and motivates us to propose a model-specific variant, which does not require any human semantic partition and can further reduce the prediction set size. Finally, we present an extensive empirical study, encompassing prominent CP methods, multiple models, and several datasets, which demonstrates that our class-similarity-based approach consistently enhances CP methods.
Authors: Carlos Ruiz-Gonzalez, S\"oren Arlt, Sebastian Lehner, Arturs Berzins, Yehonathan Drori, Rana X Adhikari, Johannes Brandstetter, Mario Krenn
Abstract: Physics simulators are essential in science and engineering, enabling the analysis, control, and design of complex systems. In experimental sciences, they are increasingly used to automate experimental design, often via combinatorial search and optimization. However, as the setups grow more complex, the computational cost of traditional, CPU-based simulators becomes a major limitation. Here, we show how neural surrogate models can significantly reduce reliance on such slow simulators while preserving accuracy. Taking the design of interferometric gravitational wave detectors as a representative example, we train a neural network to surrogate the gravitational wave physics simulator Finesse, which was developed by the LIGO community. Despite that small changes in physical parameters can change the output by orders of magnitudes, the model rapidly predicts the quality and feasibility of candidate designs, allowing an efficient exploration of large design spaces. Our algorithm loops between training the surrogate, inverse designing new experiments, and verifying their properties with the slow simulator for further training. Assisted by auto-differentiation and GPU parallelism, our method proposes high-quality experiments much faster than direct optimization. Solutions that our algorithm finds within hours outperform designs that take five days for the optimizer to reach. Though shown in the context of gravitational wave detectors, our framework is broadly applicable to other domains where simulator bottlenecks hinder optimization and discovery.
Authors: Tianyang Duan, Zongyuan Zhang, Zheng Lin, Songxiao Guo, Xiuxian Guan, Guangyu Wu, Zihan Fang, Haotian Meng, Xia Du, Ji-Zhe Zhou, Heming Cui, Jun Luo, Yue Gao
Abstract: Multi-agent reinforcement learning (MARL) has been increasingly adopted in many real-world applications. While MARL enables decentralized deployment on resource-constrained edge devices, it suffers from severe non-stationarity due to the synchronous updates of agent policies. This non stationarity results in unstable training and poor policy con vergence, especially as the number of agents increases. In this paper, we propose RELED, a scalable MARL framework that integrates large language model (LLM)-driven expert demonstrations with autonomous agent exploration. RELED incorporates a Stationarity-Aware Expert Demonstration module, which leverages theoretical non-stationarity bounds to enhance the quality of LLM-generated expert trajectories, thus providing high reward and training-stable samples for each agent. Moreover, a Hybrid Expert-Agent Policy Optimization module adaptively balances each agent's learning from both expert-generated and agent-generated trajectories, accelerating policy convergence and improving generalization. Extensive experiments with real city networks based on OpenStreetMap demonstrate that RELED achieves superior performance compared to state-of-the-art MARL methods.
Authors: Srishti Gupta, Yashasvee Taiwade
Abstract: Denoising Diffusion Probabilistic Models (DDPMs) have established a new state-of-the-art in generative image synthesis, yet their deployment is hindered by significant computational overhead during inference, often requiring up to 1,000 iterative steps. This study presents a rigorous comparative analysis of DDPMs against the emerging Flow Matching (Rectified Flow) paradigm, specifically isolating their geometric and efficiency properties on low-resource hardware. By implementing both frameworks on a shared Time-Conditioned U-Net backbone using the MNIST dataset, we demonstrate that Flow Matching significantly outperforms Diffusion in efficiency. Our geometric analysis reveals that Flow Matching learns a highly rectified transport path (Curvature $\mathcal{C} \approx 1.02$), which is near-optimal, whereas Diffusion trajectories remain stochastic and tortuous ($\mathcal{C} \approx 3.45$). Furthermore, we establish an ``efficiency frontier'' at $N=10$ function evaluations, where Flow Matching retains high fidelity while Diffusion collapses. Finally, we show via numerical sensitivity analysis that the learned vector field is sufficiently linear to render high-order ODE solvers (Runge-Kutta 4) unnecessary, validating the use of lightweight Euler solvers for edge deployment. \textbf{This work concludes that Flow Matching is the superior algorithmic choice for real-time, resource-constrained generative tasks.}
Authors: Rudy Morel, Francesco Pio Ramunno, Jeff Shen, Alberto Bietti, Kyunghyun Cho, Miles Cranmer, Siavash Golkar, Olexandr Gugnin, Geraud Krawezik, Tanya Marwah, Michael McCabe, Lucas Meyer, Payel Mukhopadhyay, Ruben Ohana, Liam Parker, Helen Qu, Fran\c{c}ois Rozet, K. D. Leka, Fran\c{c}ois Lanusse, David Fouhey, Shirley Ho
Abstract: Conditional diffusion models provide a natural framework for probabilistic prediction of dynamical systems and have been successfully applied to fluid dynamics and weather prediction. However, in many settings, the available information at a given time represents only a small fraction of what is needed to predict future states, either due to measurement uncertainty or because only a small fraction of the state can be observed. This is true for example in solar physics, where we can observe the Sun's surface and atmosphere, but its evolution is driven by internal processes for which we lack direct measurements. In this paper, we tackle the probabilistic prediction of partially observable, long-memory dynamical systems, with applications to solar dynamics and the evolution of active regions. We show that standard inference schemes, such as autoregressive rollouts, fail to capture long-range dependencies in the data, largely because they do not integrate past information effectively. To overcome this, we propose a multiscale inference scheme for diffusion models, tailored to physical processes. Our method generates trajectories that are temporally fine-grained near the present and coarser as we move farther away, which enables capturing long-range temporal dependencies without increasing computational cost. When integrated into a diffusion model, we show that our inference scheme significantly reduces the bias of the predicted distributions and improves rollout stability.
Authors: Dereck Piche, Mohammed Muqeeth, Milad Aghajohari, Juan Duque, Michael Noukhovitch, Aaron Courville
Abstract: As agentic AI becomes more widespread, agents with distinct and possibly conflicting goals will interact in complex ways. These multi-agent interactions pose a fundamental challenge, particularly in social dilemmas, where agents' individual incentives can undermine collective welfare. While reinforcement learning (RL) has been effective for aligning large language models (LLMs) in the single-agent regime, prior small-network results suggest that standard RL in multi-agent settings often converges to defecting, self-interested policies. We show the same effect in LLMs: despite cooperative priors, RL-trained LLM agents develop opportunistic behavior that can exploit even advanced closed-source models. To address this tendency of RL to converge to poor equilibria, we adapt a recent opponent-learning awareness algorithm, Advantage Alignment, to fine-tune LLMs toward multi-agent cooperation and non-exploitability. We then introduce a group-relative baseline that simplifies advantage computation in iterated games, enabling multi-agent training at LLM scale. We also contribute a novel social dilemma environment, Trust and Split, which requires natural language communication to achieve high collective welfare. Across a wide range of social dilemmas, policies learned with Advantage Alignment achieve higher collective payoffs while remaining robust against exploitation by greedy agents.
Authors: Zhaolong Su, Wang Lu, Hao Chen, Sharon Li, Jindong Wang
Abstract: Unified Multimodal Models (UMMs) have shown impressive performance in both understanding and generation with a single architecture. However, UMMs still exhibit a fundamental inconsistency: understanding favors compact embeddings, whereas generation favors reconstruction-rich representations. This structural trade-off produces misaligned decision boundaries, degraded cross-modal coherence, and heightened vulnerability under distributional and adversarial shifts. In this paper, we present UniGame, a self-adversarial post-training framework that directly targets the inconsistencies. By applying a lightweight perturber at the shared token interface, UniGame enables the generation branch to actively seek and challenge fragile understanding, turning the model itself into its own adversary. Experiments demonstrate that UniGame significantly improves the consistency (+4.6%). Moreover, it also achieves substantial improvements in understanding (+3.6%), generation (+0.02), out-of-distribution and adversarial robustness (+4.8% and +6.2% on NaturalBench and AdVQA). The framework is architecture-agnostic, introduces less than 1% additional parameters, and is complementary to existing post-training methods. These results position adversarial self-play as a general and effective principle for enhancing the coherence, stability, and unified competence of future multimodal foundation models. The official code is available at: https://github.com/AIFrontierLab/UniGame
Authors: Shangyuan Tong, Nanye Ma, Saining Xie, Tommi Jaakkola
Abstract: State-of-the-art flow models achieve remarkable quality but require slow, iterative sampling. To accelerate this, flow maps can be distilled from pre-trained teachers, a procedure that conventionally requires sampling from an external dataset. We argue that this data-dependency introduces a fundamental risk of Teacher-Data Mismatch, as a static dataset may provide an incomplete or even misaligned representation of the teacher's full generative capabilities. This leads us to question whether this reliance on data is truly necessary for successful flow map distillation. In this work, we explore a data-free alternative that samples only from the prior distribution, a distribution the teacher is guaranteed to follow by construction, thereby circumventing the mismatch risk entirely. To demonstrate the practical viability of this philosophy, we introduce a principled framework that learns to predict the teacher's sampling path while actively correcting for its own compounding errors to ensure high fidelity. Our approach surpasses all data-based counterparts and establishes a new state-of-the-art by a significant margin. Specifically, distilling from SiT-XL/2+REPA, our method reaches an impressive FID of 1.45 on ImageNet 256x256, and 1.49 on ImageNet 512x512, both with only 1 sampling step. We hope our work establishes a more robust paradigm for accelerating generative models and motivates the broader adoption of flow map distillation without data.
Authors: Letian Chen, Runhan Shi, Gufeng Yu, Yang Yang
Abstract: Aligning molecular sequence representations (e.g., SMILES notations) with textual descriptions is critical for applications spanning drug discovery, materials design, and automated chemical literature analysis. Existing methodologies typically treat molecular captioning (molecule-to-text) and text-based molecular design (text-to-molecule) as separate tasks, relying on supervised fine-tuning or contrastive learning pipelines. These approaches face three key limitations: (i) conventional metrics like BLEU prioritize linguistic fluency over chemical accuracy, (ii) training datasets frequently contain chemically ambiguous narratives with incomplete specifications, and (iii) independent optimization of generation directions leads to bidirectional inconsistency. To address these issues, we propose RTMol, a bidirectional alignment framework that unifies molecular captioning and text-to-SMILES generation through self-supervised round-trip learning. The framework introduces novel round-trip evaluation metrics and enables unsupervised training for molecular captioning without requiring paired molecule-text corpora. Experiments demonstrate that RTMol enhances bidirectional alignment performance by up to 47% across various LLMs, establishing an effective paradigm for joint molecule-text understanding and generation.
Authors: Chenhua Shi, Joji Philip, Subhadip Bandyopadhyay, Jayanta Choudhury
Abstract: To keep modern Radio Access Networks (RAN) running smoothly, operators need to spot the real-world triggers behind Service-Level Agreement (SLA) breaches well before customers feel them. We introduce an AI/ML pipeline that does two things most tools miss: (1) finds the likely root-cause indicators and (2) reveals the exact order in which those events unfold. We start by labeling network data: records linked to past SLA breaches are marked `abnormal', and everything else `normal'. Our model then learns the causal chain that turns normal behavior into a fault. In Monte Carlo tests the approach pinpoints the correct trigger sequence with high precision and scales to millions of data points without loss of speed. These results show that high-resolution, causally ordered insights can move fault management from reactive troubleshooting to proactive prevention.
Authors: Nazmus Sakib, Simeon Wuthier, Amanul Islam, Xiaobo Zhou, Jinoh Kim, Ikkyun Kim, Sang-Yoon Chang
Abstract: Distributed peer-to-peer (P2P) networking delivers the new blocks and transactions and is critical for the cryptocurrency blockchain system operations. Having poor P2P connectivity reduces the financial rewards from the mining consensus protocol. Previous research defines beneficalness of each Bitcoin peer connection and estimates the beneficialness based on the observations of the blocks and transactions delivery, which are after they are delivered. However, due to the infrequent block arrivals and the sporadic and unstable peer connections, the peers do not stay connected long enough to have the beneficialness score to converge to its expected beneficialness. We design and build Dynamic Peer Beneficialness Prediction (DyPBP) which predicts a peer's beneficialness by using networking behavior observations beyond just the block and transaction arrivals. DyPBP advances the previous research by estimating the beneficialness of a peer connection before it delivers new blocks and transactions. To achieve such goal, DyPBP introduces a new feature for remembrance to address the dynamic connectivity issue, as Bitcoin's peers using distributed networking often disconnect and re-connect. We implement DyPBP on an active Bitcoin node connected to the Mainnet and use machine learning for the beneficialness prediction. Our experimental results validate and evaluate the effectiveness of DyPBP; for example, the error performance improves by 2 to 13 orders of magnitude depending on the machine-learning model selection. DyPBP's use of the remembrance feature also informs our model selection. DyPBP enables the P2P connection's beneficialness estimation from the connection start before a new block arrives.
Authors: Van-Vi Vo, Tien-Dung Nguyen, Duc-Tai Le, Hyunseung Choo
Abstract: Time-critical data aggregation in Internet of Things (IoT) networks demands efficient, collision-free scheduling to minimize latency for applications like smart cities and industrial automation. Traditional heuristic methods, with two-phase tree construction and scheduling, often suffer from high computational overhead and suboptimal delays due to their static nature. To address this, we propose a novel Q-learning framework that unifies aggregation tree construction and scheduling, modeling the process as a Markov Decision Process (MDP) with hashed states for scalability. By leveraging a reward function that promotes large, interference-free batch transmissions, our approach dynamically learns optimal scheduling policies. Simulations on static networks with up to 300 nodes demonstrate up to 10.87% lower latency compared to a state-of-the-art heuristic algorithm, highlighting its robustness for delay-sensitive IoT applications. This framework enables timely insights in IoT environments, paving the way for scalable, low-latency data aggregation.
Authors: Jeyoung Lee, Hochul Kang
Abstract: Recent progress in diffusion-based generative models has enabled high-quality image synthesis conditioned on diverse modalities. Extending such models to brain signals could deepen our understanding of human perception and mental representations. However,electroencephalography (EEG) presents major challenges for image generation due to high noise, low spatial resolution, and strong inter-subject variability. Existing approaches,such as DreamDiffusion, BrainVis, and GWIT, primarily adapt EEG features to pre-trained Stable Diffusion models using complex alignment or classification pipelines, often resulting in large parameter counts and limited interpretability. We introduce SYNAPSE, a two-stage framework that bridges EEG signal representation learning and high-fidelity image synthesis. In Stage1, a CLIP-aligned EEG autoencoder learns a semantically structured latent representation by combining signal reconstruction and cross-modal alignment objectives. In Stage2, the pretrained encoder is frozen and integrated with a lightweight adaptation of Stable Diffusion, enabling efficient conditioning on EEG features with minimal trainable parameters. Our method achieves a semantically coherent latent space and state-of-the-art perceptual fidelity on the CVPR40 dataset, outperforming prior EEG-to-image models in both reconstruction efficiency and image quality. Quantitative and qualitative analyses demonstrate that SYNAPSE generalizes effectively across subjects, preserving visual semantics even when class-level agreement is reduced. These results suggest that reconstructing what the brain perceives, rather than what it classifies, is key to faithful EEG-based image generation.
Authors: Xianshuai Shi, Jianfeng Zhu, Leibo Liu
Abstract: This paper presents a gate-level Boolean evolutionary geometric attention neural network that models images as Boolean fields governed by logic gates. Each pixel is a Boolean variable (0 or 1) embedded on a two-dimensional geometric manifold (for example, a discrete toroidal lattice), which defines adjacency and information propagation among pixels. The network updates image states through a Boolean reaction-diffusion mechanism: pixels receive Boolean diffusion from neighboring pixels (diffusion process) and perform local logic updates via trainable gate-level logic kernels (reaction process), forming a reaction-diffusion logic network. A Boolean self-attention mechanism is introduced, using XNOR-based Boolean Query-Key (Q-K) attention to modulate neighborhood diffusion pathways and realize logic attention. We also propose Boolean Rotary Position Embedding (RoPE), which encodes relative distances by parity-bit flipping to simulate Boolean ``phase'' offsets. The overall structure resembles a Transformer but operates entirely in the Boolean domain. Trainable parameters include Q-K pattern bits and gate-level kernel configurations. Because outputs are discrete, continuous relaxation methods (such as sigmoid approximation or soft-logic operators) ensure differentiable training. Theoretical analysis shows that the network achieves universal expressivity, interpretability, and hardware efficiency, capable of reproducing convolutional and attention mechanisms. Applications include high-speed image processing, interpretable artificial intelligence, and digital hardware acceleration, offering promising future research directions.
Authors: Rayan Aldajani
Abstract: Tracking body fat percentage is essential for effective weight management, yet gold-standard methods such as DEXA scans remain expensive and inaccessible for most people. This study evaluates the feasibility of artificial intelligence (AI) models as low-cost alternatives using frontal body images and basic anthropometric data. The dataset consists of 535 samples: 253 cases with recorded anthropometric measurements (weight, height, neck, ankle, and wrist) and 282 images obtained via web scraping from Reddit posts with self-reported body fat percentages, including some reported as DEXA-derived by the original posters. Because no public datasets exist for computer-vision-based body fat estimation, this dataset was compiled specifically for this study. Two approaches were developed: (1) ResNet-based image models and (2) regression models using anthropometric measurements. A multimodal fusion framework is also outlined for future expansion once paired datasets become available. The image-based model achieved a Root Mean Square Error (RMSE) of 4.44% and a Coefficient of Determination (R^2) of 0.807. These findings demonstrate that AI-assisted models can offer accessible and low-cost body fat estimates, supporting future consumer applications in health and fitness.
Authors: Valentin Khrulkov, Andrey Galichin, Denis Bashkirov, Dmitry Vinichenko, Oleg Travkin, Roman Alferov, Andrey Kuznetsov, Ivan Oseledets
Abstract: Recent advances in LLM-guided evolutionary computation, particularly AlphaEvolve (Novikov et al., 2025; Georgiev et al., 2025), have demonstrated remarkable success in discovering novel mathematical constructions and solving challenging optimization problems. However, the high-level descriptions in published work leave many implementation details unspecified, hindering reproducibility and further research. In this report we present GigaEvo, an extensible open-source framework that enables researchers to study and experiment with hybrid LLM-evolution approaches inspired by AlphaEvolve. Our system provides modular implementations of key components: MAP-Elites quality-diversity algorithms, asynchronous DAG-based evaluation pipelines, LLM-driven mutation operators with insight generation and bidirectional lineage tracking, and flexible multi-island evolutionary strategies. In order to assess reproducibility and validate our implementation we evaluate GigaEvo on challenging problems from the AlphaEvolve paper: Heilbronn triangle placement, circle packing in squares, and high-dimensional kissing numbers. The framework emphasizes modularity, concurrency, and ease of experimentation, enabling rapid prototyping through declarative configuration. We provide detailed descriptions of system architecture, implementation decisions, and experimental methodology to support further research in LLM driven evolutionary methods. The GigaEvo framework and all experimental code are available at https://github.com/AIRI-Institute/gigaevo-core.
Authors: Narumasa Tsutsumida, Rei Mitsuhashi, Yoshito Sawada, Akira Kato
Abstract: Spaceborne Light Detection and Ranging (LiDAR) systems, such as NASA's Global Ecosystem Dynamics Investigation (GEDI), provide forest structure for global carbon assessments. However, geolocation uncertainties (typically 5-15 m) propagate systematically through derived products, undermining forest profile estimates, including carbon stock assessments. Existing correction methods face critical limitations: waveform simulation approaches achieve meter-level accuracy but require high-resolution LiDAR data unavailable in most regions, while terrain-based methods employ deterministic grid searches that may overlook optimal solutions in continuous solution spaces. We present SALPA (Spaceborne LiDAR Point Adjustment), a multi-algorithm optimization framework integrating three optimization paradigms with five distance metrics. Operating exclusively with globally available digital elevation models and geoid data, SALPA explores continuous solution spaces through gradient-based, evolutionary, and swarm intelligence approaches. Validation across contrasting sites: topographically complex Nikko, Japan, and flat Landes, France, demonstrates 15-16% improvements over original GEDI positions and 0.5-2% improvements over the state-of-the-art GeoGEDI algorithm. L-BFGS-B with Area-based metrics achieves optimal accuracy-efficiency trade-offs, while population-based algorithms (genetic algorithms, particle swarm optimization) excel in complex terrain. The platform-agnostic framework facilitates straightforward adaptation to emerging spaceborne LiDAR missions, providing a generalizable foundation for universal geolocation correction essential for reliable global forest monitoring and climate policy decisions.
Authors: Hyakka Nakada, Yoshiyasu Tanaka
Abstract: Optical Character Recognition (OCR) for data extraction from documents is essential to intelligent informatics, such as digitizing medical records and recognizing road signs. Multi-modal Large Language Models (LLMs) can solve this task and have shown remarkable performance. Recently, it has been noticed that the accuracy of data extraction by multi-modal LLMs can be affected when in-plane rotations are present in the documents. However, real-world document images are usually not only in-plane rotated but also perspectively distorted. This study investigates the impacts of such perturbations on the data extraction accuracy for the state-of-the-art model, Gemini-1.5-pro. Because perspective distortions have a high degree of freedom, designing experiments in the same manner as single-parametric rotations is difficult. We observed typical distortions of document images and showed that most of them approximately follow an isosceles-trapezoidal transformation, which allows us to evaluate distortions with a small number of parameters. We were able to reduce the number of independent parameters from eight to two, i.e. rotation angle and distortion ratio. Then, specific entities were extracted from synthetically generated sample documents with varying these parameters. As the performance of LLMs, we evaluated not only a character-recognition accuracy but also a structure-recognition accuracy. Whereas the former represents the classical indicators for optical character recognition, the latter is related to the correctness of reading order. In particular, the structure-recognition accuracy was found to be significantly degraded by document distortion. In addition, we found that this accuracy can be improved by a simple rotational correction. This insight will contribute to the practical use of multi-modal LLMs for OCR tasks.
Authors: Danyang Sun, Fadi Dornaika, Nagore Barrena
Abstract: Due to the high cost of annotation or the rarity of some diseases, medical image segmentation is often limited by data scarcity and the resulting overfitting problem. Self-supervised learning and semi-supervised learning can mitigate the data scarcity challenge to some extent. However, both of these paradigms are complex and require either hand-crafted pretexts or well-defined pseudo-labels. In contrast, data augmentation represents a relatively simple and straightforward approach to addressing data scarcity issues. It has led to significant improvements in image recognition tasks. However, the effectiveness of local image editing augmentation techniques in the context of segmentation has been less explored. We propose HSMix, a novel approach to local image editing data augmentation involving hard and soft mixing for medical semantic segmentation. In our approach, a hard-augmented image is created by combining homogeneous regions (superpixels) from two source images. A soft mixing method further adjusts the brightness of these composed regions with brightness mixing based on locally aggregated pixel-wise saliency coefficients. The ground-truth segmentation masks of the two source images undergo the same mixing operations to generate the associated masks for the augmented images. Our method fully exploits both the prior contour and saliency information, thus preserving local semantic information in the augmented images while enriching the augmentation space with more diversity. Our method is a plug-and-play solution that is model agnostic and applicable to a range of medical imaging modalities. Extensive experimental evidence has demonstrated its effectiveness in a variety of medical segmentation tasks. The source code is available in https://github.com/DanielaPlusPlus/HSMix.
Authors: Iv\'an Felipe Benavides-Mart\'inez, Cristiam Victoriano Portilla-Cabrera, Katherine E. Mills, Claire Enterline, Jos\'e Garc\'es-Vargas, Andrew J. Allyn, Auroop R Ganguly
Abstract: Benthic habitat is challenging due to the environmental complexity of the seafloor, technological limitations, and elevated operational costs, especially in under-explored regions. This generates knowledge gaps for the sustainable management of hydrobiological resources and their nexus with society. We developed ECOSAIC (Ecological Compression via Orthogonal Specialized Autoencoders for Interpretable Classification), an Artificial Intelligence framework for automatic classification of benthic habitats through interpretable latent representations using a customizable autoencoder. ECOSAIC compresses n-dimensional feature space by optimizing specialization and orthogonality between domain-informed features. We employed two domain-informed categories: biogeochemical and hydrogeomorphological, that together integrate biological, physicochemical, hydrological and geomorphological, features, whose constraints on habitats have been recognized in ecology for a century. We applied the model to the Colombian Pacific Ocean and the results revealed 16 benthic habitats, expanding from mangroves to deep rocky areas up to 1000 m depth. The candidate habitats exhibited a strong correspondence between their environmental constraints, represented in latent space, and their expected species composition. This correspondence reflected meaningful ecological associations rather than purely statistical correlations, where the habitat's environmental offerings align semantically with the species' requirements. This approach could improve the management and conservation of benthic habitats, facilitating the development of functional maps that support marine planning, biodiversity conservation and fish stock assessment. We also hope it provides new insights into how ecological principles can inform AI frameworks, particularly given the substantial data limitations that characterize ecological research.
Authors: Max A. Nelson, Elif Keles, Eminenur Sen Tasci, Merve Yazol, Halil Ertugrul Aktas, Ziliang Hong, Andrea Mia Bejar, Gorkem Durak, Oznur Leman Boyunaga, Ulas Bagci
Abstract: Pediatric pancreatitis is a progressive and debilitating inflammatory condition, including acute pancreatitis and chronic pancreatitis, that presents significant clinical diagnostic challenges. Machine learning-based methods also face diagnostic challenges due to limited sample availability and multimodal imaging complexity. To address these challenges, this paper introduces Upstream Probabilistic Meta-Imputation (UPMI), a light-weight augmentation strategy that operates upstream of a meta-learner in a low-dimensional meta-feature space rather than in image space. Modality-specific logistic regressions (T1W and T2W MRI radiomics) produce probability outputs that are transformed into a 7-dimensional meta-feature vector. Class-conditional Gaussian mixture models (GMMs) are then fit within each cross-validation fold to sample synthetic meta-features that, combined with real meta-features, train a Random Forest (RF) meta-classifier. On 67 pediatric subjects with paired T1W/T2W MRIs, UPMI achieves a mean AUC of 0.908 $\pm$ 0.072, a $\sim$5% relative gain over a real-only baseline (AUC 0.864 $\pm$ 0.061).
Authors: Yayan Qiu, Sean Hanna
Abstract: Taking into account the regional characteristics of intrinsic and extrinsic properties of space is an essential issue in architectural design and urban renewal, which is often achieved step by step using image and graph-based GANs. However, each model nesting and data conversion may cause information loss, and it is necessary to streamline the tools to facilitate architects and users to participate in the design. Therefore, this study hopes to prove that I2I GAN also has the potential to recognize topological relationships autonomously. Therefore, this research proposes a method for quickly detecting the ability of pix2pix to learn topological relationships, which is achieved by adding two Grasshopper-based detection modules before and after GAN. At the same time, quantitative data is provided and its learning process is visualized, and changes in different input modes such as greyscale and RGB affect its learning efficiency. There are two innovations in this paper: 1) It proves that pix2pix can automatically learn spatial topological relationships and apply them to architectural design. 2) It fills the gap in detecting the performance of Image-based Generation GAN from a topological perspective. Moreover, the detection method proposed in this study takes a short time and is simple to operate. The two detection modules can be widely used for customizing image datasets with the same topological structure and for batch detection of topological relationships of images. In the future, this paper may provide a theoretical foundation and data support for the application of architectural design and urban renewal that use GAN to preserve spatial topological characteristics.
Authors: KM Khalid Saifullah, Daniel Palmer
Abstract: Multi-agent coordination is critical for next-generation autonomous vehicle (AV) systems, yet naive implementations of communication-based rerouting can lead to catastrophic performance degradation. This study investigates a fundamental problem in decentralized multi-agent navigation: routing loops, where vehicles without persistent obstacle memory become trapped in cycles of inefficient path recalculation. Through systematic simulation experiments involving 72 unique configurations across varying vehicle densities (15, 35, 55 vehicles) and obstacle frequencies (6, 20 obstacles), we demonstrate that memory-less reactive rerouting increases average travel time by up to 682% compared to baseline conditions. To address this, we introduce Object Memory Management (OMM), a lightweight mechanism enabling agents to retain and share knowledge of previously encountered obstacles. OMM operates by maintaining a distributed blacklist of blocked nodes, which each agent consults during Dijkstra-based path recalculation, effectively preventing redundant routing attempts. Our results show that OMM-enabled coordination reduces average travel time by 75.7% and wait time by 88% compared to memory-less systems, while requiring only 1.67 route recalculations per vehicle versus 9.83 in memory-less scenarios. This work provides empirical evidence that persistent, shared memory is not merely beneficial but essential for robust multi-agent coordination in dynamic environments. The findings have implications beyond autonomous vehicles, informing the design of decentralized systems in robotics, network routing, and distributed AI. We provide a comprehensive experimental analysis, including detailed scenario breakdowns, scalability assessments, and visual documentation of the routing loop phenomenon, demonstrating OMM's critical role in preventing detrimental feedback cycles in cooperative multi-agent systems.
Authors: Daanish Aleem Qureshi, Rafay Chaudhary, Kok Seng Tan, Or Maoz, Scott Burian, Michael Gelber, Phillip Hoon Kang, Alan George Labouseur
Abstract: As digital communication grows in importance when connecting with healthcare providers, traditional behavioral and content message features are imbued with renewed significance. If one is to meaningfully connect with them, it is crucial to understand what drives them to engage and respond. In this study, the authors analyzed several million text messages sent through the Impiricus platform to learn which factors influenced whether or not a doctor clicked on a link in a message. Several key insights came to light through the use of logistic regression, random forest, and neural network models, the details of which the authors discuss in this paper.
Authors: Nawfel Mechiche-Alami, Eduardo Rodriguez, Jose M. Cardemil, Enrique Lopez Droguett
Abstract: This study proposes a Quantum Fourier Transform (QFT)-enhanced quantum kernel for short-term time-series forecasting. Each signal is windowed, amplitude-encoded, transformed by a QFT, then passed through a protective rotation layer to avoid the QFT/QFT adjoint cancellation; the resulting kernel is used in kernel ridge regression (KRR). Exogenous predictors are incorporated by convexly fusing feature-specific kernels. On multi-station solar irradiance data across Koppen climate classes, the proposed kernel consistently improves median R2 and nRMSE over reference classical RBF and polynomials kernels, while also reducing bias (nMBE); complementary MAE/ERMAX analyses indicate tighter average errors with remaining headroom under sharp transients. For both quantum and classical models, the only tuned quantities are the feature-mixing weights and the KRR ridge alpha; classical hyperparameters (gamma, r, d) are fixed, with the same validation set size for all models. Experiments are conducted on a noiseless simulator (5 qubits; window length L=32). Limitations and ablations are discussed, and paths toward NISQ execution are outlined.
Authors: Shreya Sinha-Roy, Richard G. Everitt, Christian P. Robert, Ritabrata Dutta
Abstract: Data assimilation is a fundamental task in updating forecasting models upon observing new data, with applications ranging from weather prediction to online reinforcement learning. Deep generative forecasting models (DGFMs) have shown excellent performance in these areas, but assimilating data into such models is challenging due to their intractable likelihood functions. This limitation restricts the use of standard Bayesian data assimilation methodologies for DGFMs. To overcome this, we introduce prequential posteriors, based upon a predictive-sequential (prequential) loss function; an approach naturally suited for temporally dependent data which is the focus of forecasting tasks. Since the true data-generating process often lies outside the assumed model class, we adopt an alternative notion of consistency and prove that, under mild conditions, both the prequential loss minimizer and the prequential posterior concentrate around parameters with optimal predictive performance. For scalable inference, we employ easily parallelizable wastefree sequential Monte Carlo (SMC) samplers with preconditioned gradient-based kernels, enabling efficient exploration of high-dimensional parameter spaces such as those in DGFMs. We validate our method on both a synthetic multi-dimensional time series and a real-world meteorological dataset; highlighting its practical utility for data assimilation for complex dynamical systems.
Authors: Lingxiao Li, Yifan Wang, Xinyan Gao, Chen Tang, Xiangyu Yue, Chenyu You
Abstract: Chain-of-Thought (CoT) prompting has proven remarkably effective for eliciting complex reasoning in large language models (LLMs). Yet, its potential in multimodal large language models (MLLMs) remains largely untapped, hindered by the absence of large-scale datasets that capture the rich, spatially grounded reasoning intrinsic to visual understanding. Existing visual-CoT resources are typically small, domain-specific, or lack the human-like stepwise structure necessary for compositional visual reasoning. In this paper, we introduce VisReason, a large-scale dataset designed to advance visual Chain-of-Thought reasoning. VisReason comprises 489K annotated examples spanning four diverse domains, each featuring multi-round, human-like rationales that guide MLLMs through interpretable visual reasoning steps. Building upon this, we curate VisReason-Pro, a 165K subset produced with a stronger expert-level GPT annotator, enriched with detailed reasoning traces and 3D spatial grounding via depth-informed annotations. Fine-tuning the state-of-the-art Qwen2.5-VL model on VisReason and VisReason-Pro yields substantial improvements in step-by-step visual reasoning accuracy, interpretability, and cross-benchmark generalization. These results demonstrate that VisReason equips MLLMs with more systematic and generalizable reasoning capabilities. We envision VisReason as a cornerstone for cultivating human-like visual reasoning, paving the way toward the next generation of multimodal intelligence.
Authors: Ashley S. Dale, Kangming Li, Brian DeCost, Hao Wan, Yuchen Han, Yao Fehlis, Jason Hattrick-Simpers
Abstract: Efficiently and meaningfully estimating prediction uncertainty is important for exploration in active learning campaigns in materials discovery, where samples with high uncertainty are interpreted as containing information missing from the model. In this work, the effect of different uncertainty estimation and calibration methods are evaluated for active learning when using ensembles of ALIGNN, eXtreme Gradient Boost, Random Forest, and Neural Network model architectures. We compare uncertainty estimates from ALIGNN deep ensembles to loss landscape uncertainty estimates obtained for solubility, bandgap, and formation energy prediction tasks. We then evaluate how the quality of the uncertainty estimate impacts an active learning campaign that seeks model generalization to out-of-distribution data. Uncertainty calibration methods were found to variably generalize from in-domain data to out-of-domain data. Furthermore, calibrated uncertainties were generally unsuccessful in reducing the amount of data required by a model to improve during an active learning campaign on out-of-distribution data when compared to random sampling and uncalibrated uncertainties. The impact of poor-quality uncertainty persists for random forest and eXtreme Gradient Boosting models trained on the same data for the same tasks, indicating that this is at least partially intrinsic to the data and not due to model capacity alone. Analysis of the target, in-distribution uncertainty, out-of-distribution uncertainty, and training residual distributions suggest that future work focus on understanding empirical uncertainties in the feature input space for cases where ensemble prediction variances do not accurately capture the missing information required for the model to generalize.
Authors: Darren Chiu, Zhehui Huang, Ruohai Ge, Gaurav S. Sukhatme
Abstract: Nano-UAV teams offer great agility yet face severe navigation challenges due to constrained onboard sensing, communication, and computation. Existing approaches rely on high-resolution vision or compute-intensive planners, rendering them infeasible for these platforms. We introduce LEARN, a lightweight, two-stage safety-guided reinforcement learning (RL) framework for multi-UAV navigation in cluttered spaces. Our system combines low-resolution Time-of-Flight (ToF) sensors and a simple motion planner with a compact, attention-based RL policy. In simulation, LEARN outperforms two state-of-the-art planners by $10\%$ while using substantially fewer resources. We demonstrate LEARN's viability on six Crazyflie quadrotors, achieving fully onboard flight in diverse indoor and outdoor environments at speeds up to $2.0 m/s$ and traversing $0.2 m$ gaps.
Authors: Maria Bou-Sakr-El-Tayar, Jason J. Bramburger, Matthew J. Colbrook
Abstract: Many data-driven algorithms in dynamical systems rely on ergodic averages that converge painfully slowly. One simple idea changes this: taper the ends. Weighted Birkhoff averages can converge much faster (sometimes superpolynomially, even exponentially) and can be incorporated seamlessly into existing methods. We demonstrate this with five weighted algorithms: weighted Dynamic Mode Decomposition (wtDMD), weighted Extended DMD (wtEDMD), weighted Sparse Identification of Nonlinear Dynamics (wtSINDy), weighted spectral measure estimation, and weighted diffusion forecasting. Across examples ranging from fluid flows to El Ni\~no data, the message is clear: weighting costs nothing, is easy to implement, and often delivers markedly better results from the same data.
Authors: Sandro Rama Fiorini, Leonardo G. Azevedo, Raphael M. Thiago, Valesca M. de Sousa, Anton B. Labate, Viviane Torres da Silva
Abstract: Agentic frameworks powered by Large Language Models (LLMs) can be useful tools in scientific workflows by enabling human-AI co-creation. A key challenge is recommending the next steps during workflow creation without relying solely on LLMs, which risk hallucination and require fine-tuning with scarce proprietary data. We propose an episodic memory architecture that stores and retrieves past workflows to guide agents in suggesting plausible next tasks. By matching current workflows with historical sequences, agents can recommend steps based on prior patterns.
Authors: Jony Karki, Dongzhou Huang, Yunpeng Zhao
Abstract: Node popularity is recognized as a key factor in modeling real-world networks, capturing heterogeneity in connectivity across communities. This concept is equally important in bipartite networks, where nodes in different partitions may exhibit varying popularity patterns, motivating models such as the Two-Way Node Popularity Model (TNPM). Existing methods, such as the Two-Stage Divided Cosine (TSDC) algorithm, provide a scalable estimation approach but may have limitations in terms of accuracy or applicability across different types of networks. In this paper, we develop a computationally efficient and theoretically justified variational expectation-maximization (VEM) framework for the TNPM. We establish label consistency for the estimated community assignments produced by the proposed variational estimator in bipartite networks. Through extensive simulation studies, we show that our method achieves superior estimation accuracy across a range of bipartite as well as undirected networks compared to existing algorithms. Finally, we evaluate our method on real-world bipartite and undirected networks, further demonstrating its practical effectiveness and robustness.
Authors: Shweta Mahajan, Hoang Le, Hyojin Park, Farzad Farhadzadeh, Munawar Hayat, Fatih Porikli
Abstract: Large Vision-Language Models (VLMs) rely on effective multimodal alignment between pre-trained vision encoders and Large Language Models (LLMs) to integrate visual and textual information. This paper presents a comprehensive analysis of attention patterns in efficient VLMs, revealing that concatenation-based architectures frequently fail to distinguish between semantically matching and non-matching image-text pairs. This is a key factor for object hallucination in these models. To address this, we introduce Attention-Guided Efficient Vision-Language Models (AGE-VLM), a novel framework that enhances visual grounding through interleaved cross-attention layers to instill vision capabilities in pretrained small language models. This enforces in VLM the ability "look" at the correct image regions by leveraging spatial knowledge distilled from the Segment Anything Model (SAM), significantly reducing hallucination. We validate our approach across different vision-centric benchmarks where our method is better or comparable to prior work on efficient VLMs. Our findings provide valuable insights for future research aimed at achieving enhanced visual and linguistic understanding in VLMs.
Authors: Ryoma Yataka, Pu Perry Wang, Petros Boufounos, Ryuhei Takahashi
Abstract: Multi-view indoor radar perception has drawn attention due to its cost-effectiveness and low privacy risks. Existing methods often rely on {implicit} cross-view radar feature association, such as proposal pairing in RFMask or query-to-feature cross-attention in RETR, which can lead to ambiguous feature matches and degraded detection in complex indoor scenes. To address these limitations, we propose \textbf{REXO} (multi-view Radar object dEtection with 3D bounding boX diffusiOn), which lifts the 2D bounding box (BBox) diffusion process of DiffusionDet into the 3D radar space. REXO utilizes these noisy 3D BBoxes to guide an {explicit} cross-view radar feature association, enhancing the cross-view radar-conditioned denoising process. By accounting for prior knowledge that the person is in contact with the ground, REXO reduces the number of diffusion parameters by determining them from this prior. Evaluated on two open indoor radar datasets, our approach surpasses state-of-the-art methods by a margin of +4.22 AP on the HIBER dataset and +11.02 AP on the MMVR dataset.
Authors: Xinshuang Liu, Runfa Blark Li, Shaoxiu Wei, Truong Nguyen
Abstract: Flow-matching models effectively represent complex distributions, yet estimating expectations of functions of their outputs remains challenging under limited sampling budgets. Independent sampling often yields high-variance estimates, especially when rare but with high-impact outcomes dominate the expectation. We propose an importance-weighted non-IID sampling framework that jointly draws multiple samples to cover diverse, salient regions of a flow's distribution while maintaining unbiased estimation via estimated importance weights. To balance diversity and quality, we introduce a score-based regularization for the diversity mechanism, which uses the score function, i.e., the gradient of the log probability, to ensure samples are pushed apart within high-density regions of the data manifold, mitigating off-manifold drift. We further develop the first approach for importance weighting of non-IID flow samples by learning a residual velocity field that reproduces the marginal distribution of the non-IID samples. Empirically, our method produces diverse, high-quality samples and accurate estimates of both importance weights and expectations, advancing the reliable characterization of flow-matching model outputs. Our code will be publicly available on GitHub.
Authors: Scott Merrill, Shashank Srivastava
Abstract: Large language models offer opportunities to simulate multi-party deliberation, but realistic modeling remains limited by a lack of speaker-attributed data. Transcripts produced via automatic speech recognition (ASR) assign anonymous speaker labels (e.g., Speaker_1), preventing models from capturing consistent human behavior. This work introduces a reproducible pipeline to transform public Zoom recordings into speaker-attributed transcripts with metadata like persona profiles and pragmatic action tags (e.g., [propose_motion]). We release three local government deliberation datasets: Appellate Court hearings, School Board meetings, and Municipal Council sessions. Fine-tuning LLMs to model specific participants using this "action-aware" data produces a 67% reduction in perplexity and nearly doubles classifier-based performance metrics for speaker fidelity and realism. Turing-style human evaluations show our simulations are often indistinguishable from real deliberations, providing a practical and scalable method for complex realistic civic simulations.
Authors: Sam Dillavou, Jason W Rocks, Jacob F Wycoff, Andrea J Liu, Douglas J Durian
Abstract: An important component of the success of large AI models is double descent, in which networks avoid overfitting as they grow relative to the amount of training data, instead improving their performance on unseen data. Here we demonstrate double descent in a decentralized analog network of self-adjusting resistive elements. This system trains itself and performs tasks without a digital processor, offering potential gains in energy efficiency and speed -- but must endure component non-idealities. We find that standard training fails to yield double descent, but a modified protocol that accommodates this inherent imperfection succeeds. Our findings show that analog physical systems, if appropriately trained, can exhibit behaviors underlying the success of digital AI. Further, they suggest that biological systems might similarly benefit from over-parameterization.
Authors: Z. Zhang, I. Agapov, S. Gasiorowski, T. Hellert, W. Neiswanger, X. Huang, D. Ratner
Abstract: We demonstrate that multipoint Bayesian algorithm execution can overcome fundamental computational challenges in storage ring design optimization. Dynamic (DA) and momentum (MA) optimization is a multipoint, multiobjective design task for storage rings, ultimately informing the flux of x-ray sources and luminosity of colliders. Current state-of-art black-box optimization methods require extensive particle-tracking simulations for each trial configuration; the high computational cost restricts the extent of the search to $\sim 10^3$ configurations, and therefore limits the quality of the final design. We remove this bottleneck using multipointBAX, which selects, simulates, and models each trial configuration at the single particle level. We demonstrate our approach on a novel design for a fourth-generation light source, with neural-network powered multipointBAX achieving equivalent Pareto front results using more than two orders of magnitude fewer tracking computations compared to genetic algorithms. The significant reduction in cost positions multipointBAX as a promising alternative to black-box optimization, and we anticipate multipointBAX will be instrumental in the design of future light sources, colliders, and large-scale scientific facilities.
Authors: Suk Ki Lee, Ronnie F. P. Stone, Max Gao, Wenlong Zhang, Zhenghui Sha, Hyunwoong Ko
Abstract: Manufacturing processes are inherently dynamic and uncertain, with varying parameters and nonlinear behaviors, making robust control essential for maintaining quality and reliability. Traditional control methods often fail under these conditions due to their reactive nature. Model Predictive Control (MPC) has emerged as a more advanced framework, leveraging process models to predict future states and optimize control actions. However, MPC relies on simplified models that often fail to capture complex dynamics, and it struggles with accurate state estimation and handling the propagation of uncertainty in manufacturing environments. Machine learning (ML) has been introduced to enhance MPC by modeling nonlinear dynamics and learning latent representations that support predictive modeling, state estimation, and optimization. Yet existing ML-driven MPC approaches remain deterministic and correlation-focused, motivating the exploration of generative. Generative ML offers new opportunities by learning data distributions, capturing hidden patterns, and inherently managing uncertainty, thereby complementing MPC. This review highlights five representative methods and examines how each has been integrated into MPC components, including predictive modeling, state estimation, and optimization. By synthesizing these cases, we outline the common ways generative ML can systematically enhance MPC and provide a framework for understanding its potential in diverse manufacturing processes. We identify key research gaps, propose future directions, and use a representative case to illustrate how generative ML-driven MPC can extend broadly across manufacturing. Taken together, this review positions generative ML not as an incremental add-on but as a transformative approach to reshape predictive control for next-generation manufacturing systems.
Authors: Guoyang Xia, Yifeng Ding, Fengfa Li, Lei Ren, Wei Chen, Fangxiang Feng, Xiaojie Wang
Abstract: Multimodal large language models (MLLMs) have achieved impressive performance, but high-resolution visual inputs result in long sequences of visual tokens and substantial inference latency. Reducing redundant visual tokens is critical to ease computational/memory burdens while preserving performance, enabling MLLM deployment in resource-constrained or latency-sensitive scenarios. Current visual token pruning methods mainly rely on attention-based redundancy analysis and are tailored to dense architectures. We propose Fast Multimodal Mixture-of-Experts (FastMMoE), a training-free acceleration framework for mixture-of-experts (MoE) based MLLMs, developed from a routing analysis perspective. FastMMoE combines two complementary strategies: (i) expert activation reduction for visual tokens to minimize unnecessary expert computation; and (ii) routing-aware token pruning that leverages similarity in routing probability distributions to identify and remove highly redundant visual tokens. Experiments on large-scale MoE-MLLMs such as DeepSeek-VL2 and InternVL3.5 demonstrate that FastMMoE can reduce FLOPs by up to 55.0% while retaining approximately 95.5% of the original performance, consistently outperforming dense-model pruning baselines including FastV and SparseVLM across multiple retention rates.
Authors: Xiang Gao, Cody Hyndman
Abstract: We develop an arbitrage-free deep learning framework for yield curve and bond price forecasting based on the Heath-Jarrow-Morton (HJM) term-structure model and a dynamic Nelson-Siegel parameterization of forward rates. Our approach embeds a no-arbitrage drift restriction into a neural state-space architecture by combining Kalman, extended Kalman, and particle filters with recurrent neural networks (LSTM/CLSTM), and introduces an explicit arbitrage error regularization (AER) term during training. The model is applied to U.S. Treasury and corporate bond data, and its performance is evaluated for both yield-space and price-space predictions at 1-day and 5-day horizons. Empirically, arbitrage regularization leads to its strongest improvements at short maturities, particularly in 5-day-ahead forecasts, increasing market-consistency as measured by bid-ask hit rates and reducing dollar-denominated prediction errors.
Authors: Wenxi Dai, Wujiang Xu, Pinhuan Wang, Dimitris N. Metaxas
Abstract: The widespread adoption of Large Language Models (LLMs) as re-rankers is shifting recommender systems towards a user-centric paradigm. However, a significant gap remains: current re-rankers often lack mechanisms for fine-grained user control. They struggle to balance inherent user preferences with multiple attribute-based constraints, often resorting to simplistic hard filtering that can excessively narrow the recommendation pool and yield suboptimal results. This limitation leaves users as passive recipients rather than active collaborators in the recommendation process. To bridge this gap, we propose COREC, a novel token-augmented re-ranking framework that incorporates specific user requirements in co-creating the recommendation outcome. COREC empowers users to steer re-ranking results with precise and flexible control via explicit, attribute-based signals. The framework learns to balance these commands against latent preferences, yielding rankings that adhere to user instructions without sacrificing personalization. Experiments show that COREC: (1) exceeds state-of-the-art baselines on standard recommendation effectiveness and (2) demonstrates superior adherence to specific attribute requirements, proving that COREC enables fine-grained and predictable manipulation of the rankings.
Authors: Jaswanth Bodempudi, Batta Siva Sairam, Madepalli Haritha, Sandesh Rao Mattu, Ananthanarayanan Chockalingam
Abstract: Carrier aggregation (CA) is a technique that allows mobile networks to combine multiple carriers to increase user data rate. On the uplink, for power constrained users, this translates to the need for an efficient resource allocation scheme, where each user distributes its available power among its assigned uplink carriers. Choosing a good set of carriers and allocating appropriate power on the carriers is important. If the carrier allocation on the uplink is such that a harmonic of a user's uplink carrier falls on the downlink frequency of that user, it leads to a self coupling-induced sensitivity degradation of that user's downlink receiver. In this paper, we model the uplink carrier aggregation problem as an optimal resource allocation problem with the associated constraints of non-linearities induced self interference (SI). This involves optimization over a discrete variable (which carriers need to be turned on) and a continuous variable (what power needs to be allocated on the selected carriers) in dynamic environments, a problem which is hard to solve using traditional methods owing to the mixed nature of the optimization variables and the additional need to consider the SI constraint. We adopt a reinforcement learning (RL) framework involving a compound-action actor-critic (CA2C) algorithm for the uplink carrier aggregation problem. We propose a novel reward function that is critical for enabling the proposed CA2C algorithm to efficiently handle SI. The CA2C algorithm along with the proposed reward function learns to assign and activate suitable carriers in an online fashion. Numerical results demonstrate that the proposed RL based scheme is able to achieve higher sum throughputs compared to naive schemes. The results also demonstrate that the proposed reward function allows the CA2C algorithm to adapt the optimization both in the presence and absence of SI.
Authors: Jianghao Wu, Yasmeen George, Jin Ye, Yicheng Wu, Daniel F. Schmidt, Jianfei Cai
Abstract: Large language models (LLMs) and multimodal LLMs (MLLMs) excel at chain-of-thought reasoning but face distribution shift at test-time and a lack of verifiable supervision. Recent test-time reinforcement learning (TTRL) methods derive label-free pseudo-rewards from self-consistency voting over sampled trajectories, yet they often collapse: the majority-vote reward prevails, responses shorten, and Pass@1 declines. We trace this to uniform sequence updates in which most tokens are low-entropy followers, while a small high-entropy subset determines the reasoning branches. Thus we propose SPINE, a token-selective test-time reinforcement learning framework that (i) updates only forking tokens, the high-entropy branch points identified from forward-pass statistics, and (ii) applies an entropy-band regularizer at those tokens to sustain exploration when entropy is too low and to suppress noisy supervision when it is too high. SPINE plugs into GRPO-style objectives, optionally with a KL anchor, and requires no labels or reward models. Across ten benchmarks spanning multimodal VQA, general and expert QA, mathematical reasoning, and medical QA, SPINE consistently improves Pass@1 over TTRL while avoiding response-length collapse and yielding more stable training dynamics on both LLM and MLLM backbones. These results indicate that aligning updates with chain-of-thought branch points is a simple and label-free mechanism for stable and effective test-time adaptation in reasoning models. Code is available at https://github.com/JianghaoWu/SPINE.
Authors: Yuchen Ying, Yiyang Dai, Wenda Li, Wenjie Huang, Rui Wang, Tongya Zheng, Yu Wang, Hanyang Yuan, Mingli Song
Abstract: Subgraph matching, a cornerstone of relational pattern detection in domains ranging from biochemical systems to social network analysis, faces significant computational challenges due to the dramatically growing search space. Existing methods address this problem within a filtering-ordering-enumeration framework, in which the enumeration stage recursively matches the query graph against the candidate subgraphs of the data graph. However, the lack of awareness of subgraph structural patterns leads to a costly brute-force enumeration, thereby critically motivating the need for intelligent navigation in subgraph matching. To address this challenge, we propose Neural Graph Navigation (NeuGN), a neuro-heuristic framework that transforms brute-force enumeration into neural-guided search by integrating neural navigation mechanisms into the core enumeration process. By preserving heuristic-based completeness guarantees while incorporating neural intelligence, NeuGN significantly reduces the \textit{First Match Steps} by up to 98.2\% compared to state-of-the-art methods across six real-world datasets.
Authors: Freek Holvoet, Christopher Blier-Wong, Katrien Antonio
Abstract: Incorporating spatial information, particularly those influenced by climate, weather, and demographic factors, is crucial for improving underwriting precision and enhancing risk management in insurance. However, spatial data are often unstructured, high-dimensional, and difficult to integrate into predictive models. Embedding methods are needed to convert spatial data into meaningful representations for modelling tasks. We propose a novel multi-view contrastive learning framework for generating spatial embeddings that combine information from multiple spatial data sources. To train the model, we construct a spatial dataset that merges satellite imagery and OpenStreetMap features across Europe. The framework aligns these spatial views with coordinate-based encodings, producing low-dimensional embeddings that capture both spatial structure and contextual similarity. Once trained, the model generates embeddings directly from latitude-longitude pairs, enabling any dataset with coordinates to be enriched with meaningful spatial features without requiring access to the original spatial inputs. In a case study on French real estate prices, we compare models trained on raw coordinates against those using our spatial embeddings as inputs. The embeddings consistently improve predictive accuracy across generalised linear, additive, and boosting models, while providing interpretable spatial effects and demonstrating transferability to unseen regions.
Authors: Yuhao Wu, Ke Yang, Franziska Roesner, Tadayoshi Kohno, Ning Zhang, Umar Iqbal
Abstract: As AI agents attempt to autonomously act on users' behalf, they raise transparency and control issues. We argue that permission-based access control is indispensable in providing meaningful control to the users, but conventional permission models are inadequate for the automated agentic execution paradigm. We therefore propose automated permission management for AI agents. Our key idea is to conduct a user study to identify the factors influencing users' permission decisions and to encode these factors into an ML-based permission management assistant capable of predicting users' future decisions. We find that participants' permission decisions are influenced by communication context but importantly individual preferences tend to remain consistent within contexts, and align with those of other participants. Leveraging these insights, we develop a permission prediction model achieving 85.1% accuracy overall and 94.4% for high-confidence predictions. We find that even without using permission history, our model achieves an accuracy of 66.9%, and a slight increase of training samples (i.e., 1-4) can substantially increase the accuracy by 10.8%.
Authors: Kuangxiangzi Liu, Dhiman Chakraborty, Alexander Liggesmeyer, Andreas Zeller
Abstract: Safety- and security-critical systems have to be thoroughly tested against their specifications. The state of practice is to have _natural language_ specifications, from which test cases are derived manually - a process that is slow, error-prone, and difficult to scale. _Formal_ specifications, on the other hand, are well-suited for automated test generation, but are tedious to write and maintain. In this work, we propose a two-stage pipeline that uses large language models (LLMs) to bridge the gap: First, we extract _protocol elements_ from natural-language specifications; second, leveraging a protocol implementation, we synthesize and refine a formal _protocol specification_ from these elements, which we can then use to massively test further implementations. We see this two-stage approach to be superior to end-to-end LLM-based test generation, as 1. it produces an _inspectable specification_ that preserves traceability to the original text; 2. the generation of actual test cases _no longer requires an LLM_; 3. the resulting formal specs are _human-readable_, and can be reviewed, version-controlled, and incrementally refined; and 4. over time, we can build a _corpus_ of natural-language-to-formal-specification mappings that can be used to further train and refine LLMs for more automatic translations. Our prototype, AUTOSPEC, successfully demonstrated the feasibility of our approach on five widely used _internet protocols_ (SMTP, POP3, IMAP, FTP, and ManageSieve) by applying its methods on their _RFC specifications_ written in natural-language, and the recent _I/O grammar_ formalism for protocol specification and fuzzing. In its evaluation, AUTOSPEC recovers on average 92.8% of client and 80.2% of server message types, and achieves 81.5% message acceptance across diverse, real-world systems.
Authors: Weijie Jiang, Armando Ordorica, Jaewon Yang, Olafur Gudmundsson, Yucheng Tu, Huizhong Duan
Abstract: User retention is a critical objective for online platforms like Pinterest, as it strengthens user loyalty and drives growth through repeated engagement. A key indicator of retention is revisitation, i.e., when users return to view previously saved content, a behavior often sparked by personalized recommendations and user satisfaction. However, modeling and optimizing revisitation poses significant challenges. One core difficulty is accurate attribution: it is often unclear which specific user actions or content exposures trigger a revisit, since many confounding factors (e.g., content quality, user interface, notifications, or even changing user intent) can influence return behavior. Additionally, the scale and timing of revisitations introduce further complexity; users may revisit content days or even weeks after their initial interaction, requiring the system to maintain and associate extensive historical records across millions of users and sessions. These complexities render existing methods insufficient for robustly capturing and optimizing long-term revisitation. To address these gaps, we introduce a novel, lightweight, and interpretable framework for modeling revisitation behavior and optimizing long-term user retention in Pinterest's search-based recommendation context. By defining a surrogate attribution process that links saves to subsequent revisitations, we reduce noise in the causal relationship between user actions and return visits. Our scalable event aggregation pipeline enables large-scale analysis of user revisitation patterns and enhances the ranking system's ability to surface items with high retention value. Deployed on Pinterest's Related Pins surface to serve 500+ million users, the framework led to a significant lift of 0.1% in active users without additional computational costs.
Authors: Dor Arviv, Yehonatan Elisha, Oren Barkan, Noam Koenigstein
Abstract: We present a method for extracting \emph{monosemantic} neurons, defined as latent dimensions that align with coherent and interpretable concepts, from user and item embeddings in recommender systems. Our approach employs a Sparse Autoencoder (SAE) to reveal semantic structure within pretrained representations. In contrast to work on language models, monosemanticity in recommendation must preserve the interactions between separate user and item embeddings. To achieve this, we introduce a \emph{prediction aware} training objective that backpropagates through a frozen recommender and aligns the learned latent structure with the model's user-item affinity predictions. The resulting neurons capture properties such as genre, popularity, and temporal trends, and support post hoc control operations including targeted filtering and content promotion without modifying the base model. Our method generalizes across different recommendation models and datasets, providing a practical tool for interpretable and controllable personalization. Code and evaluation resources are available at https://github.com/DeltaLabTLV/Monosemanticity4Rec.
Authors: Yifan Luo, Meng Zhang, Jin Xu, Junting Chen, Jianwei Huang
Abstract: Data streams collected from multiple sources are rarely independent. Values evolve over time and influence one another across sequences. These correlations improve prediction in healthcare, finance, and smart-city control yet violate the record-independence assumption built into most Differential Privacy (DP) mechanisms. To restore rigorous privacy guarantees without sacrificing utility, we introduce Correlated-Sequence Differential Privacy (CSDP), a framework specifically designed for preserving privacy in correlated sequential data. CSDP addresses two linked challenges: quantifying the extra information an attacker gains from joint temporal and cross-sequence links, and adding just enough noise to hide that information while keeping the data useful. We model multivariate streams as a Coupling Markov Chain, yielding the derived loose leakage bound expressed with a few spectral terms and revealing a counterintuitive result: stronger coupling can actually decrease worst-case leakage by dispersing perturbations across sequences. Guided by these bounds, we build the Freshness-Regulated Adaptive Noise (FRAN) mechanism--combining data aging, correlation-aware sensitivity scaling, and Laplace noise--that runs in linear time. Tests on two-sequence datasets show that CSDP improves the privacy-utility trade-off by approximately 50% over existing correlated-DP methods and by two orders of magnitude compared to the standard DP approach.
Authors: Giacomo Iannucci, Petros Barmpounakis, Alexandros Beskos, Nikolaos Demiris
Abstract: This paper presents a real time, data driven decision support framework for epidemic control. We combine a compartmental epidemic model with sequential Bayesian inference and reinforcement learning (RL) controllers that adaptively choose intervention levels to balance disease burden, such as intensive care unit (ICU) load, against socio economic costs. We construct a context specific cost function using empirical experiments and expert feedback. We study two RL policies: an ICU threshold rule computed via Monte Carlo grid search, and a policy based on a posterior averaged Q learning agent. We validate the framework by fitting the epidemic model to publicly available ICU occupancy data from the COVID 19 pandemic in England and then generating counterfactual roll out scenarios under each RL controller, which allows us to compare the RL policies to the historical government strategy. Over a 300 day period and for a range of cost parameters, both controllers substantially reduce ICU burden relative to the observed interventions, illustrating how Bayesian sequential learning combined with RL can support the design of epidemic control policies.
Authors: Xiaoke Han, Hong Zhu
Abstract: Testing RESTful API is increasingly important in quality assurance of cloud-native applications. Recent advances in machine learning (ML) techniques have demonstrated that various testing activities can be performed automatically by large language models (LLMs) with reasonable accuracy. This paper develops a multi-agent system called MASTEST that combines LLM-based and programmed agents to form a complete tool chain that covers the whole workflow of API test starting from generating unit and system test scenarios from API specification in the OpenAPI Swagger format, to generating of Pytest test scripts, executing test scripts to interact with web services, to analysing web service response messages to determine test correctness and calculate test coverage. The system also supports the incorporation of human testers in reviewing and correcting LLM generated test artefacts to ensure the quality of testing activities. MASTEST system is evaluated on two LLMs, GPT-4o and DeepSeek V3.1 Reasoner with five public APIs. The performances of LLMs on various testing activities are measured by a wide range of metrics, including unit and system test scenario coverage and API operation coverage for the quality of generated test scenarios, data type correctness, status code coverage and script syntax correctness for the quality of LLM generated test scripts, as well as bug detection ability and usability of LLM generated test scenarios and scripts. Experiment results demonstrated that both DeepSeek and GPT-4o achieved a high overall performance. DeepSeek excels in data type correctness and status code detection, while GPT-4o performs best in API operation coverage. For both models, LLM generated test scripts maintained 100\% syntax correctness and only required minimal manual edits for semantic correctness. These findings indicate the effectiveness and feasibility of MASTEST.
Authors: Oren Barkan, Yahlly Schein, Yehonatan Elisha, Veronika Bogina, Mikhail Baklanov, Noam Koenigstein
Abstract: Explanation fidelity, which measures how accurately an explanation reflects a model's true reasoning, remains critically underexplored in recommender systems. We introduce SPINRec (Stochastic Path Integration for Neural Recommender Explanations), a model-agnostic approach that adapts path-integration techniques to the sparse and implicit nature of recommendation data. To overcome the limitations of prior methods, SPINRec employs stochastic baseline sampling: instead of integrating from a fixed or unrealistic baseline, it samples multiple plausible user profiles from the empirical data distribution and selects the most faithful attribution path. This design captures the influence of both observed and unobserved interactions, yielding more stable and personalized explanations. We conduct the most comprehensive fidelity evaluation to date across three models (MF, VAE, NCF), three datasets (ML1M, Yahoo! Music, Pinterest), and a suite of counterfactual metrics, including AUC-based perturbation curves and fixed-length diagnostics. SPINRec consistently outperforms all baselines, establishing a new benchmark for faithful explainability in recommendation. Code and evaluation tools are publicly available at https://github.com/DeltaLabTLV/SPINRec.
Authors: Jilan Mei, Tengjie Zheng, Lin Cheng, Shengping Gong, Xu Huang
Abstract: Sparse dynamics identification is an essential tool for discovering interpretable physical models and enabling efficient control in engineering systems. However, existing methods rely on batch learning with full historical data, limiting their applicability to real-time scenarios involving sequential and partially observable data. To overcome this limitation, this paper proposes an online Sparse Kalman Identification (SKI) method by integrating the Augmented Kalman Filter (AKF) and Automatic Relevance Determination (ARD). The main contributions are: (1) a theoretically grounded Bayesian sparsification scheme that is seamlessly integrated into the AKF framework and adapted to sequentially collected data in online scenarios; (2) an update mechanism that adapts the Kalman posterior to reflect the updated selection of the basis functions that define the model structure; (3) an explicit gradient-descent formulation that enhances computational efficiency. Consequently, the SKI method achieves accurate model structure selection with millisecond-level efficiency and higher identification accuracy, as demonstrated by extensive simulations and real-world experiments (showing an 84.21\% improvement in accuracy over the baseline AKF).
Authors: Gowtham, Sai Rupesh, Sanjay Kumar, Saravanan, Venkata Chaithanya
Abstract: High-quality training data is fundamental to large language model (LLM) performance, yet existing preprocessing pipelines often struggle to effectively remove noise and unstructured content from web-scale corpora. This paper presents Blu-WERP, a novel data preprocessing pipeline designed to optimize the quality of Common Crawl WARC files for LLM training. We demonstrate that Blu-WERP significantly outperforms established baselines including DCLM across multiple model scales and evaluation benchmarks. Our pipeline processes CC WARC dumps, implementing advanced filtering and quality assessment mechanisms. We conducted comprehensive evaluations using models with 150M, 400M, 530M, 750M, and 1B parameters, testing against nine standard benchmarks categorized as World Knowledge & Reasoning, Language Understanding, and Commonsense Reasoning. Results show Blu-WERP consistently achieved superior performance across all model scales. At the 1B parameter scale, Relatively Blu-WERP demonstrates a 4.0% and 9.5% aggregate improvement over DCLM and Fineweb respectively, while achieving quality-per-token efficiency gain. Categorical analysis reveals 2.4% improvement in World Knowledge & Reasoning, 6.2% improvement in Language Understanding, and 4.2% improvement in Commonsense Reasoning. These results establish Blu-WERP as a state-of-the-art preprocessing pipeline that substantially improves LLM training data quality and downstream model performance with reduced computational cost. Our findings contribute to the growing body of research on data-centric AI, demonstrating that preprocessing pipeline design significantly impacts LLM capabilities. The Blu-WERP pipeline represents a practical advancement in data quality optimization, offering researchers and practitioners an effective solution for improving LLM training efficiency and model performance.
Authors: Francesca Romana Crucinio, Sahani Pathiraja
Abstract: Wasserstein-Fisher-Rao (WFR) gradient flows have been recently proposed as a powerful sampling tool that combines the advantages of pure Wasserstein (W) and pure Fisher-Rao (FR) gradient flows. Existing algorithmic developments implicitly make use of operator splitting techniques to numerically approximate the WFR partial differential equation, whereby the W flow is evaluated over a given step size and then the FR flow (or vice versa). This works investigates the impact of the order in which the W and FR operator are evaluated and aims to provide a quantitative analysis. Somewhat surprisingly, we show that with a judicious choice of step size and operator ordering, the split scheme can converge to the target distribution faster than the exact WFR flow (in terms of model time). We obtain variational formulae describing the evolution over one time step of both sequential splitting schemes and investigate in which settings the W-FR split should be preferred to the FR-W split. As a step towards this goal we show that the WFR gradient flow preserves log-concavity and obtain the first sharp decay bound for WFR.
Authors: Fermat Leukam, Rock Stephane Koffi, Prudence Djagba
Abstract: This research proposes an enhancement to the innovative portfolio optimization approach using the G-Learning algorithm, combined with parametric optimization via the GIRL algorithm (G-learning approach to the setting of Inverse Reinforcement Learning) as presented by. The goal is to maximize portfolio value by a target date while minimizing the investor's periodic contributions. Our model operates in a highly volatile market with a well-diversified portfolio, ensuring a low-risk level for the investor, and leverages reinforcement learning to dynamically adjust portfolio positions over time. Results show that we improved the Sharpe Ratio from 0.42, as suggested by recent studies using the same approach, to a value of 0.483 a notable achievement in highly volatile markets with diversified portfolios. The comparison between G-Learning and GIRL reveals that while GIRL optimizes the reward function parameters (e.g., lambda = 0.0012 compared to 0.002), its impact on portfolio performance remains marginal. This suggests that reinforcement learning methods, like G-Learning, already enable robust optimization. This research contributes to the growing development of reinforcement learning applications in financial decision-making, demonstrating that probabilistic learning algorithms can effectively align portfolio management strategies with investor needs.
Authors: More Aayush Babasaheb (Indian Institute of Technology Kharagpur, India), Shamik Sural (Indian Institute of Technology Kharagpur, India)
Abstract: This paper presents an empirical investigation into the capabilities of Large Language Models (LLMs) to perform automated Attribute-based Access Control (ABAC) policy mining. While ABAC provides fine-grained, context-aware access management, the increasing number and complexity of access policies can make their formulation and evaluation rather challenging. To address the task of synthesizing concise yet accurate policies, we evaluate the performance of some of the state-of-the-art LLMs, specifically Google Gemini (Flash and Pro) and OpenAI ChatGPT, as potential policy mining engines. An experimental framework was developed in Python to generate randomized access data parameterized by varying numbers of subjects, objects, and initial policy sets. The baseline policy sets, which govern permission decisions between subjects and objects, serve as the ground truth for comparison. Each LLM-generated policy was evaluated against the baseline policy using standard performance metrics. The results indicate that LLMs can effectively infer compact and valid ABAC policies for small-scale scenarios. However, as the system size increases, characterized by higher numbers of subjects and objects, LLM outputs exhibit declining accuracy and precision, coupled with significant increase in the size of policy generated, which is beyond the optimal size. These findings highlight both the promise and limitations of current LLM architectures for scalable policy mining in access control domains. Future work will explore hybrid approaches that combine prompt optimization with classical rule mining algorithms to improve scalability and interpretability in complex ABAC environments.
Authors: Purvish Jajal, Nick John Eliopoulos, Benjamin Shiue-Hal Chou, George K. Thiruvathukal, Yung-Hsiang Lu, James C. Davis
Abstract: Modern transformer architectures achieve remarkable performance across tasks and domains but remain rigid in how they allocate computation at inference time. Real-world deployment often requires models to adapt to diverse hardware and latency constraints, yet most approaches to dynamic computation focus on a single axis -- such as reducing the number of tokens. We present a novel capability: AdaPerceiver, the first transformer architecture with unified adaptivity across depth, width, and tokens within a single model. We propose an architecture that supports adaptivity along these axes. We couple this with an efficient joint training regime that ensures the model maintains performance across its various configurations. We evaluate AdaPerceiver on image classification, semantic segmentation, and depth estimation tasks. On image classification, AdaPerceiver expands the accuracy-throughput Pareto front. It achieves 85.4% accuracy while yielding 36% higher throughput than FlexiViT-L. On dense prediction, AdaPerceiver matches ViT-H/14 while having $\sim$26x fewer encoder FLOPs (floating-point operations) on semantic segmentation and depth estimation. Finally, we show how AdaPerceiver equipped with a policy can maintain ImageNet1K accuracy ($\pm0.1$ percentage points) while reducing FLOPs by $24-33$%.
Authors: Dachuan Zhao, Weiyue Li, Zhenda Shen, Yushu Qiu, Bowen Xu, Haoyu Chen, Yongchao Chen
Abstract: Vision-Language Models (VLMs) have become indispensable for multimodal reasoning, yet their representations often encode and amplify demographic biases, resulting in biased associations and misaligned predictions in downstream tasks. Such behavior undermines fairness and distorts the intended alignment between vision and language. Recent post-hoc approaches attempt to mitigate bias by replacing the most attribute-correlated embedding coordinates with neutral values. However, our systematic analysis reveals three critical failures of this coordinate-wise approach: feature entanglement, poor cross-dataset generalization, and incomplete bias removal. We find that bias is not localized to a few coordinates but is instead distributed across a few linear subspaces. To address these limitations, we propose $\textbf{S}$ubspace $\textbf{P}$rojection $\textbf{D}$ebiasing ($\textbf{SPD}$), a geometrically principled framework that identifies and removes the entire subspace of linearly decodable bias while reinserting a neutral mean component to preserve semantic fidelity. Extensive experiments across zero-shot classification, text-to-image retrieval, and image generation validate the effectiveness of SPD: our method achieves more robust debiasing with an average improvement of $18.5\%$ across four fairness metrics, while maintaining minimal loss in task performance compared to the best debiasing baseline.
Authors: Yilong Wang, Cheng Qian, Ruomeng Fan, Edward Johns
Abstract: We propose Observer Actor (ObAct), a novel framework for active vision imitation learning in which the observer moves to optimal visual observations for the actor. We study ObAct on a dual-arm robotic system equipped with wrist-mounted cameras. At test time, ObAct dynamically assigns observer and actor roles: the observer arm constructs a 3D Gaussian Splatting (3DGS) representation from three images, virtually explores this to find an optimal camera pose, then moves to this pose; the actor arm then executes a policy using the observer's observations. This formulation enhances the clarity and visibility of both the object and the gripper in the policy's observations. As a result, we enable the training of ambidextrous policies on observations that remain closer to the occlusion-free training distribution, leading to more robust policies. We study this formulation with two existing imitation learning methods -- trajectory transfer and behavior cloning -- and experiments show that ObAct significantly outperforms static-camera setups: trajectory transfer improves by 145% without occlusion and 233% with occlusion, while behavior cloning improves by 75% and 143%, respectively. Videos are available at https://obact.github.io.
URLs: https://obact.github.io.
Authors: Lucas P. Amaral, Luben M. C. Cabezas, Thiago R. Ramos, Gustavo H. G. A. Pereira
Abstract: In this work, we propose a set of conformal prediction procedures tailored to compositional responses, where outcomes are proportions that must be positive and sum to one. Building on Dirichlet regression, we introduce a split conformal approach based on quantile residuals and a highest-density region strategy that combines a fast coordinate-floor approximation with an internal grid refinement to restore sharpness. Both constructions are model-agnostic at the conformal layer and guarantee finite-sample marginal coverage under exchangeability, while respecting the geometry of the simplex. A comprehensive Monte Carlo study spanning homoscedastic and heteroscedastic designs shows that the quantile residual and grid-refined HDR methods achieve empirical coverage close to the nominal 90\% level and produce substantially narrower regions than the coordinate-floor approximation, which tends to be conservative. We further demonstrate the methods on household budget shares from the BudgetItaly dataset, using standardized socioeconomic and price covariates with a train, calibration, and test split. In this application, the grid-refined HDR attains coverage closest to the target with the smallest average widths, closely followed by the quantile residual approach, while the simple triangular HDR yields wider, less informative sets. Overall, the results indicate that conformal prediction on the simplex can be both calibrated and efficient, providing practical uncertainty quantification for compositional prediction tasks.
Authors: Rajat Bhattacharjya, Sing-Yao Wu, Hyunwoo Oh, Chaewon Nam, Suyeon Koo, Mohsen Imani, Elaheh Bozorgzadeh, Nikil Dutt
Abstract: Unmanned Aerial Vehicles (UAVs) in disaster response require complex, queryable intelligence that on-board CNNs cannot provide. While Vision-Language Models (VLMs) offer this semantic reasoning, their high resource demands make on-device deployment infeasible, and naive cloud offloading fails under the low-bandwidth networks common in disaster zones. We present AVERY, a framework that enables VLM deployment through adaptive split computing. We advance the split computing paradigm beyond traditional depth-wise partitioning by introducing a functional, cognitive-inspired dual-stream split that separates the VLM into a high-frequency, low-resolution "context stream" for real-time awareness and a low-frequency, high-fidelity "insight stream" for deep analysis. A lightweight, self-aware on-board controller manages this architecture, monitoring network conditions and operator intent to dynamically select from pre-trained compression models, navigating the fundamental accuracy-throughput trade-off. Evaluated using the VLM LISA-7B across an edge-cloud scenario under fluctuating network conditions, AVERY consistently outperforms static configurations, achieving 11.2% higher accuracy than raw image compression and 93.98% lower energy consumption compared to full-edge execution, thereby enhancing mission efficiency and enabling real-time, queryable intelligence on resource-constrained platforms in dynamic environments.
Authors: Shreyas Kumar, Barat S, Debojit Das, Yug Desai, Siddhi Jain, Rajesh Kumar, Harish J. Palanthandalam-Madapusi
Abstract: Delicate snap-fit assemblies, such as inserting a lens into an eye-wear frame or during electronics assembly, demand timely engagement detection and rapid force attenuation to prevent overshoot-induced component damage or assembly failure. We address these challenges with two key contributions. First, we introduce SnapNet, a lightweight neural network that detects snap-fit engagement from joint-velocity transients in real-time, showing that reliable detection can be achieved using proprioceptive signals without external sensors. Second, we present a dynamical-systems-based dual-arm coordination framework that integrates SnapNet driven detection with an event-triggered impedance modulation, enabling accurate alignment and compliant insertion during delicate snap-fit assemblies. Experiments across diverse geometries on a heterogeneous bimanual platform demonstrate high detection accuracy (over 96% recall) and up to a 30% reduction in peak impact forces compared to standard impedance control.
Authors: Tianqi Qiao, Marie Maros
Abstract: We propose and analyze a variant of Sparse Polyak for high dimensional M-estimation problems. Sparse Polyak proposes a novel adaptive step-size rule tailored to suitably estimate the problem's curvature in the high-dimensional setting, guaranteeing that the algorithm's performance does not deteriorate when the ambient dimension increases. However, convergence guarantees can only be obtained by sacrificing solution sparsity and statistical accuracy. In this work, we introduce a variant of Sparse Polyak that retains its desirable scaling properties with respect to the ambient dimension while obtaining sparser and more accurate solutions.
Authors: Juvenal Bassa, Arghya Chattopadhyay, Sudhir Malik, Mario Escabi Rivera
Abstract: Data Quality Monitoring (DQM) is a crucial component of particle physics experiments and ensures that the recorded data is of the highest quality, and suitable for subsequent physics analysis. Due to the extreme environmental conditions, unprecedented data volumes, and the sheer scale and complexity of the detectors, DQM orchestration has become a very challenging task. Therefore, the use of Machine Learning (ML) to automate anomaly detection, improve efficiency, and reduce human error in the process of collecting high-quality data is unavoidable. Since DQM relies on real experimental data, it is inherently tied to the specific detector substructure and technology in operation. In this work, a simulation-driven approach to DQM is proposed, enabling the study and development of data-quality methodologies in a controlled environment. Using a modified version of Delphes -- a fast, multi-purpose detector simulation -- the preliminary realization of a framework is demonstrated which leverages ML to identify detector anomalies as well as localize the malfunctioning components responsible. We introduce MEDIC (Monitoring for Event Data Integrity and Consistency), a neural network designed to learn detector behavior and perform DQM tasks to look for potential faults. Although the present implementation adopts a simplified setup for computational ease, where large detector regions are deliberately deactivated to mimic faults, this work represents an initial step toward a comprehensive ML-based DQM framework. The encouraging results underline the potential of simulation-driven studies as a foundation for developing more advanced, data-driven DQM systems for future particle detectors.
Authors: Genesis Hang, Annie Chen, Hope Neveux, Matthew K. Nock, Yaniv Yacoby
Abstract: Ecological Momentary Assessment provides real-time data on suicidal thoughts and behaviors, but predicting suicide attempts remains challenging due to their rarity and patient heterogeneity. We show that single models fit to all patients perform poorly, while individualized models improve performance but still overfit to patients with limited data. To address this, we introduce Latent Similarity Gaussian Processes (LSGPs) to capture patient heterogeneity, enabling those with little data to leverage similar patients' trends. Preliminary results show promise: even without kernel-design, we outperform all but one baseline while offering a new understanding of patient similarity.
Authors: Jiuzhou Fu, Luanzheng Guo, Nathan R. Tallent, Dongfang Zhao
Abstract: The Hausdorff distance (HD) is a robust measure of set dissimilarity, but computing it exactly on large, high-dimensional datasets is prohibitively expensive. We propose \textbf{ProHD}, a projection-guided approximation algorithm that dramatically accelerates HD computation while maintaining high accuracy. ProHD identifies a small subset of candidate "extreme" points by projecting the data onto a few informative directions (such as the centroid axis and top principal components) and computing the HD on this subset. This approach guarantees an underestimate of the true HD with a bounded additive error and typically achieves results within a few percent of the exact value. In extensive experiments on image, physics, and synthetic datasets (up to two million points in $D=256$), ProHD runs 10--100$\times$ faster than exact algorithms while attaining 5--20$\times$ lower error than random sampling-based approximations. Our method enables practical HD calculations in scenarios like large vector databases and streaming data, where quick and reliable set distance estimation is needed.
Authors: Kunwoo Lee, Dhivya Sreedhar, Pushkar Saraf, Chaeeun Lee, Kateryna Shapovalenko
Abstract: We explore surface electromyography (sEMG) as a non-invasive input modality for mapping muscle activity to keyboard inputs, targeting immersive typing in next-generation human-computer interaction (HCI). This is especially relevant for spatial computing and virtual reality (VR), where traditional keyboards are impractical. Using attention-based architectures, we significantly outperform the existing convolutional baselines, reducing online generic CER from 24.98% -> 20.34% and offline personalized CER from 10.86% -> 10.10%, while remaining fully causal. We further incorporate a lightweight decoding pipeline with language-model-based correction, demonstrating the feasibility of accurate, real-time muscle-driven text input for future wearable and spatial interfaces.
Authors: Victor Ferrari, Marcio Pereira, Lucas Alvarenga, Gustavo Leite, Guido Araujo
Abstract: This paper proposes SConvTransform, a Transform dialect extension that provides operations for optimizing 2D convolutions in MLIR. Its main operation, SConvOp, lowers Linalg convolutions into tiled and packed generic operations through a fully declarative transformation pipeline. The process is guided by a Convolution Slicing Analysis that determines tile sizes and data layout strategies based on input and filter shapes, as well as target architecture parameters. SConvOp handles edge cases by splitting irregular regions and adjusting affine maps where needed. All packing and tiling operations are derived from a parametric set of affine equations, enabling reusable and analyzable transformations. Although functional correctness was the primary goal of this work, the experimental evaluation demonstrates the effectiveness of SConvTransform, achieving good enough performance across different target architectures. Future work will focus on optimizing performance and porting to other target devices. When applied to standard convolution configurations, the generated code achieves up to 60% of peak performance on ARM SME and 67% on Intel AVX512. These results validate the benefit of combining static shape analysis with structured tiling and packing strategies within the MLIR Transform dialect. Furthermore, the modular design of SConvTransform facilitates integration with future extensions, enabling continued optimization of convolution workloads through MLIR's extensible compilation infrastructure.
Authors: Mojtaba A. Farahani, Md Irfan Khan, Thorsten Wuest
Abstract: The convergence of Agentic AI and MAS enables a new paradigm for intelligent decision making in SMS. Traditional MAS architectures emphasize distributed coordination and specialized autonomy, while recent advances in agentic AI driven by LLMs introduce higher order reasoning, planning, and tool orchestration capabilities. This paper presents a hybrid agentic AI and multi agent framework for a Prescriptive Maintenance use case, where LLM based agents provide strategic orchestration and adaptive reasoning, complemented by rule based and SLMs agents performing efficient, domain specific tasks on the edge. The proposed framework adopts a layered architecture that consists of perception, preprocessing, analytics, and optimization layers, coordinated through an LLM Planner Agent that manages workflow decisions and context retention. Specialized agents autonomously handle schema discovery, intelligent feature analysis, model selection, and prescriptive optimization, while a HITL interface ensures transparency and auditability of generated maintenance recommendations. This hybrid design supports dynamic model adaptation, cost efficient maintenance scheduling, and interpretable decision making. An initial proof of concept implementation is validated on two industrial manufacturing datasets. The developed framework is modular and extensible, supporting seamless integration of new agents or domain modules as capabilities evolve. The results demonstrate the system capability to automatically detect schema, adapt preprocessing pipelines, optimize model performance through adaptive intelligence, and generate actionable, prioritized maintenance recommendations. The framework shows promise in achieving improved robustness, scalability, and explainability for RxM in smart manufacturing, bridging the gap between high level agentic reasoning and low level autonomous execution.
Authors: Sajjan Acharya, Rajendra Baskota
Abstract: Styled handwriting generation aims to synthesize handwritten text that looks both realistic and aligned with a specific writer's style. While recent approaches involving GAN, transformer and diffusion-based models have made progress, they often struggle to capture the full spectrum of writer-specific attributes, particularly global stylistic patterns that span long-range spatial dependencies. As a result, capturing subtle writer-specific traits such as consistent slant, curvature or stroke pressure, while keeping the generated text accurate is still an open problem. In this work, we present a unified framework designed to address these limitations. We introduce a Vision Transformer-based style encoder that learns global stylistic patterns from multiple reference images, allowing the model to better represent long-range structural characteristics of handwriting. We then integrate these style cues with the target text using a cross-attention mechanism, enabling the system to produce handwritten images that more faithfully reflect the intended style. To make the process more interpretable, we utilize Salient Stroke Attention Analysis (SSAA), which reveals the stroke-level features the model focuses on during style transfer. Together, these components lead to handwriting synthesis that is not only more stylistically coherent, but also easier to understand and analyze.
Authors: Joseph Oladokun
Abstract: Large Language Model agents often retrieve context from knowledge bases that lack structural consistency with the agent's current reasoning state, leading to incoherent reasoning chains. We introduce Path-Constrained Retrieval (PCR), a retrieval method that combines structural graph constraints with semantic search to ensure retrieved information maintains logical relationships within a knowledge graph. PCR restricts the search space to nodes reachable from an anchor node, preventing retrieval of structurally disconnected information that may lead to inconsistent reasoning. We evaluate PCR on PathRAG-6, a benchmark spanning six domains with 180 nodes and 360 edges. Our results show that PCR achieves full structural consistency compared to 24-32 percent in baseline methods, while maintaining strong relevance scores. On the technology domain, PCR obtains full relevance at rank 10 with full structural consistency, significantly outperforming vector search and hybrid retrieval. PCR reduces the average graph distance of retrieved context by 78 percent compared to baselines, demonstrating retrieval of more structurally consistent information. These findings suggest that path-constrained retrieval is an effective approach for improving the reliability and coherence of LLM agent reasoning systems.
Authors: Xian Yeow Lee, Lasitha Vidyaratne, Gregory Sin, Ahmed Farahat, Chetan Gupta
Abstract: Autonomous inspection in hazardous environments requires AI agents that can interpret high-level goals and execute precise control. A key capability for such agents is spatial grounding, for example when a drone must center a detected object in its camera view to enable reliable inspection. While large language models provide a natural interface for specifying goals, using them directly for visual control achieves only 58\% success in this task. We envision that equipping agents with a world model as a tool would allow them to roll out candidate actions and perform better in spatially grounded settings, but conventional world models are data and compute intensive. To address this, we propose a task-specific latent dynamics model that learns state-specific action-induced shifts in a shared latent space using only goal-state supervision. The model leverages global action embeddings and complementary training losses to stabilize learning. In experiments, our approach achieves 71\% success and generalizes to unseen images and instructions, highlighting the potential of compact, domain-specific latent dynamics models for spatial alignment in autonomous inspection.
Authors: Henrik Krauss, Johann Licher, Naoya Takeishi, Annika Raatz, Takehisa Yairi
Abstract: Data-driven learning of soft continuum robot (SCR) dynamics from high-dimensional observations offers flexibility but often lacks physical interpretability, while model-based approaches require prior knowledge and can be computationally expensive. We bridge this gap by introducing (1) the Attention Broadcast Decoder (ABCD), a plug-and-play module for autoencoder-based latent dynamics learning that generates pixel-accurate attention maps localizing each latent dimension's contribution while filtering static backgrounds. (2) By coupling these attention maps to 2D oscillator networks, we enable direct on-image visualization of learned dynamics (masses, stiffness, and forces) without prior knowledge. We validate our approach on single- and double-segment SCRs, demonstrating that ABCD-based models significantly improve multi-step prediction accuracy: 5.7x error reduction for Koopman operators and 3.5x for oscillator networks on the two-segment robot. The learned oscillator network autonomously discovers a chain structure of oscillators. Unlike standard methods, ABCD models enable smooth latent space extrapolation beyond training data. This fully data-driven approach yields compact, physically interpretable models suitable for control applications.
Authors: Juha Jeon
Abstract: Deep learning training relies on periodic checkpoints to recover from failures, but unsafe checkpoint installation can leave corrupted files on disk. This paper presents an experimental study of checkpoint installation protocols and integrity validation for AI training on macOS/APFS. We implement three write modes with increasing durability guarantees: unsafe (baseline, no fsync), atomic_nodirsync (file-level durability via fsync()), and atomic_dirsync (file + directory durability). We design a format-agnostic integrity guard using SHA-256 checksums with automatic rollback. Through controlled experiments including crash injection (430 unsafe-mode trials) and corruption injection (1,600 atomic-mode trials), we demonstrate that the integrity guard detects 99.8-100% of corruptions with zero false positives. Performance overhead is 56.5-108.4% for atomic_nodirsync and 84.2-570.6% for atomic_dirsync relative to the unsafe baseline. Our findings quantify the reliability-performance trade-offs and provide deployment guidance for production AI infrastructure.
Authors: Sin-Yee Yap, Fuad Noman, Junn Yong Loo, Devon Stoliker, Moein Khajehnejad, Rapha\"el C. -W. Phan, David L. Dowe, Adeel Razi, Chee-Ming Ting
Abstract: Psychedelics, such as psilocybin, reorganise large-scale brain connectivity, yet how these changes are reflected across electrophysiological (electroencephalogram, EEG) and haemodynamic (functional magnetic resonance imaging, fMRI) networks remains unclear. We present Brain-MGF, a multimodal graph fusion network for joint EEG-fMRI connectivity analysis. For each modality, we construct graphs with partial-correlation edges and Pearson-profile node features, and learn subject-level embeddings via graph convolution. An adaptive softmax gate then fuses modalities with sample-specific weights to capture context-dependent contributions. Using the world's largest single-site psilocybin dataset, PsiConnect, Brain-MGF distinguishes psilocybin from no-psilocybin conditions in meditation and rest. Fusion improves over unimodal and non-adaptive variants, achieving 74.0% accuracy and 76.5% F1 score on meditation, and 76.0% accuracy with 85.8% ROC-AUC on rest. UMAP visualisations reveal clearer class separation for fused embeddings. These results indicate that adaptive graph fusion effectively integrates complementary EEG-fMRI information, providing an interpretable framework for characterising psilocybin-induced alterations in large-scale neural organisation.
Authors: James Y. Huang, Wenxuan Zhou, Nan Xu, Fei Wang, Qin Liu, Sheng Zhang, Hoifung Poon, Muhao Chen
Abstract: The ability of Large Language Models (LLMs) to generate structured outputs that follow arbitrary schemas is crucial to a wide range of downstream tasks that require diverse structured representations of results such as information extraction, table generation, and function calling. While modern LLMs excel in generating unstructured responses in natural language, whether this advancement translates to a strong performance on text-to-structure tasks remains unclear. To bridge this gap, we first introduce OmniStruct, a comprehensive benchmark for assessing LLMs' capabilities on diverse text-to-structure tasks such as information extraction, table generation, and function calling. We build OmniStruct by identifying existing datasets across a wide range of tasks that are suitable for a structured answer format, and adapting them under a unified text-to-structure problem setting. To facilitate the development of efficient text-to-structure models, we collect high-quality training data via synthetic task generation. Without using any supervised data for OmniStruct tasks, our experiments demonstrate the possibility of fine-tuning much smaller models on synthetic data into universal structured generation models that can rival the performance of GPT-4o.
Authors: Marvin Hofer, Erhard Rahm
Abstract: Building high-quality knowledge graphs (KGs) from diverse sources requires combining methods for information extraction, data transformation, ontology mapping, entity matching, and data fusion. Numerous methods and tools exist for each of these tasks, but support for combining them into reproducible and effective end-to-end pipelines is still lacking. We present a new framework, KGpipe for defining and executing integration pipelines that can combine existing tools or LLM (Large Language Model) functionality. To evaluate different pipelines and the resulting KGs, we propose a benchmark to integrate heterogeneous data of different formats (RDF, JSON, text) into a seed KG. We demonstrate the flexibility of KGpipe by running and comparatively evaluating several pipelines integrating sources of the same or different formats using selected performance and quality metrics.
Authors: Weichuang Shao, Iman Yi Liao, Tomas Henrique Bode Maul, Tissa Chandesa
Abstract: Audio classifiers frequently face domain shift, when models trained on one dataset lose accuracy on data recorded in acoustically different conditions. Previous Test-Time Adaptation (TTA) research in speech and sound analysis often evaluates models under fixed or mismatched noise settings, that fail to mimic real-world variability. To overcome these limitations, this paper presents DHAuDS (Dynamic and Heterogeneous Audio Domain Shift), a benchmark designed to assess TTA approaches under more realistic and diverse acoustic shifts. DHAuDS comprises four standardized benchmarks: UrbanSound8K-C, SpeechCommandsV2-C, VocalSound-C, and ReefSet-C, each constructed with dynamic corruption severity levels and heterogeneous noise types to simulate authentic audio degradation scenarios. The framework defines 14 evaluation criteria for each benchmark (8 for UrbanSound8K-C), resulting in 50 unrepeated criteria (124 experiments) that collectively enable fair, reproducible, and cross-domain comparison of TTA algorithms. Through the inclusion of dynamic and mixed-domain noise settings, DHAuDS offers a consistent and publicly reproducible testbed to support ongoing studies in robust and adaptive audio modeling.
Authors: Mohammad Jafari Vayeghan, Niloufar Delfan, Mehdi Tale Masouleh, Mansour Parvaresh Rizi, Behzad Moshiri
Abstract: Precise 3D segmentation of cerebral vasculature from T1-weighted contrast-enhanced (T1CE) MRI is crucial for safe neurosurgical planning. Manual delineation is time-consuming and prone to inter-observer variability, while current automated methods often trade accuracy for computational cost, limiting clinical use. We present NeuroVascU-Net, the first deep learning architecture specifically designed to segment cerebrovascular structures directly from clinically standard T1CE MRI in neuro-oncology patients, addressing a gap in prior work dominated by TOF-MRA-based approaches. NeuroVascU-Net builds on a dilated U-Net and integrates two specialized modules: a Multi-Scale Contextual Feature Fusion ($MSC^2F$) module at the bottleneck and a Cross-Domain Adaptive Feature Fusion ($CDA^2F$) module at deeper hierarchical layers. $MSC^2F$ captures both local and global information via multi-scale dilated convolutions, while $CDA^2F$ dynamically integrates domain-specific features, enhancing representation while keeping computation low. The model was trained and validated on a curated dataset of T1CE scans from 137 brain tumor biopsy patients, annotated by a board-certified functional neurosurgeon. NeuroVascU-Net achieved a Dice score of 0.8609 and precision of 0.8841, accurately segmenting both major and fine vascular structures. Notably, it requires only 12.4M parameters, significantly fewer than transformer-based models such as Swin U-NetR. This balance of accuracy and efficiency positions NeuroVascU-Net as a practical solution for computer-assisted neurosurgical planning.
Authors: B. Y. Yan, Chaofan Li, Hongjin Qian, Shuqi Lu, Zheng Liu
Abstract: Memory is critical for AI agents, yet the widely-adopted static memory, aiming to create readily available memory in advance, is inevitably subject to severe information loss. To address this limitation, we propose a novel framework called \textbf{general agentic memory (GAM)}. GAM follows the principle of "\textbf{just-in time (JIT) compilation}" where it focuses on creating optimized contexts for its client at runtime while keeping only simple but useful memory during the offline stage. To this end, GAM employs a duo-design with the following components. 1) \textbf{Memorizer}, which highlights key historical information using a lightweight memory, while maintaining complete historical information within a universal page-store. 2) \textbf{Researcher}, which retrieves and integrates useful information from the page-store for its online request guided by the pre-constructed memory. This design allows GAM to effectively leverage the agentic capabilities and test-time scalability of frontier large language models (LLMs), while also facilitating end-to-end performance optimization through reinforcement learning. In our experimental study, we demonstrate that GAM achieves substantial improvement on various memory-grounded task completion scenarios against existing memory systems.
Authors: Jiayi Guo, Zijun Gao
Abstract: We study the problem of selecting the best heterogeneous treatment effect (HTE) estimator from a collection of candidates in settings where the treatment effect is fundamentally unobserved. We cast estimator selection as a multiple testing problem and introduce a ground-truth-free procedure based on a cross-fitted, exponentially weighted test statistic. A key component of our method is a two-way sample splitting scheme that decouples nuisance estimation from weight learning and ensures the stability required for valid inference. Leveraging a stability-based central limit theorem, we establish asymptotic familywise error rate control under mild regularity conditions. Empirically, our procedure provides reliable error control while substantially reducing false selections compared with commonly used methods across ACIC 2016, IHDP, and Twins benchmarks, demonstrating that our method is feasible and powerful even without ground-truth treatment effects.
Authors: Khanh Gia Bui
Abstract: Within the limited scope of this paper, we argue that artificial general intelligence cannot emerge from current neural network paradigms regardless of scale, nor is such an approach healthy for the field at present. Drawing on various notions, discussions, present-day developments and observations, current debates and critiques, experiments, and so on in between philosophy, including the Chinese Room Argument and G\"odelian argument, neuroscientific ideas, computer science, the theoretical consideration of artificial intelligence, and learning theory, we address conceptually that neural networks are architecturally insufficient for genuine understanding. They operate as static function approximators of a limited encoding framework - a 'sophisticated sponge' exhibiting complex behaviours without structural richness that constitute intelligence. We critique the theoretical foundations the field relies on and created of recent times; for example, an interesting heuristic as neural scaling law (as an example, arXiv:2001.08361 ) made prominent in a wrong way of interpretation, The Universal Approximation Theorem addresses the wrong level of abstraction and, in parts, partially, the question of current architectures lacking dynamic restructuring capabilities. We propose a framework distinguishing existential facilities (computational substrate) from architectural organization (interpretive structures), and outline principles for what genuine machine intelligence would require, and furthermore, a conceptual method of structuralizing the richer framework on which the principle of neural network system takes hold.
Authors: Alexander G. Reisach, Olivier Collier, Alex Luedtke, Antoine Chambaz
Abstract: We propose a way of transforming the problem of conditional density estimation into a single nonparametric regression task via the introduction of auxiliary samples. This allows leveraging regression methods that work well in high dimensions, such as neural networks and decision trees. Our main theoretical result characterizes and establishes the convergence of our estimator to the true conditional density in the data limit. We develop condensit\'e, a method that implements this approach. We demonstrate the benefit of the auxiliary samples on synthetic data and showcase that condensit\'e can achieve good out-of-the-box results. We evaluate our method on a large population survey dataset and on a satellite imaging dataset. In both cases, we find that condensit\'e matches or outperforms the state of the art and yields conditional densities in line with established findings in the literature on each dataset. Our contribution opens up new possibilities for regression-based conditional density estimation and the empirical results indicate strong promise for applied research.
Authors: Adam Lechowicz, Nicolas Christianson, Mohammad Hajiesmaili, Adam Wierman, Prashant Shenoy
Abstract: We introduce and study a class of online problems called online smoothed demand management $(\texttt{OSDM})$, motivated by paradigm shifts in grid integration and energy storage for large energy consumers such as data centers. In $\texttt{OSDM}$, an operator makes two decisions at each time step: an amount of energy to be purchased, and an amount of energy to be delivered (i.e., used for computation). The difference between these decisions charges (or discharges) the operator's energy storage (e.g., a battery). Two types of demand arrive online: base demand, which must be covered at the current time, and flexible demand, which can be satisfied at any time steps before a demand-specific deadline $\Delta_t$. The operator's goal is to minimize a cost (subject to the constraints above) that combines a cost of purchasing energy, a cost for delivering energy (if applicable), and smoothness penalties on the purchasing and delivery rates to discourage fluctuations and encourage ``grid healthy'' decisions. $\texttt{OSDM}$ generalizes several problems in the online algorithms literature while being the first to fully model applications of interest. We propose a competitive algorithm called $\texttt{PAAD}$ (partitioned accounting \& aggregated decisions) and show it achieves the optimal competitive ratio. To overcome the pessimism typical of worst-case analysis, we also propose a novel learning framework that provides guarantees on the worst-case competitive ratio (i.e., to provide robustness against nonstationarity) while allowing end-to-end differentiable learning of the best algorithm on historical instances of the problem. We evaluate our algorithms in a case study of a grid-integrated data center with battery storage, showing that $\texttt{PAAD}$ effectively solves the problem and end-to-end learning achieves substantial performance improvements compared to $\texttt{PAAD}$.
Authors: Alexander W. Hsu, Ike W. Griss Salas, Jacob M. Stevens-Haas, J. Nathan Kutz, Aleksandr Aravkin, Bamdad Hosseini
Abstract: We develop an all-at-once modeling framework for learning systems of ordinary differential equations (ODE) from scarce, partial, and noisy observations of the states. The proposed methodology amounts to a combination of sparse recovery strategies for the ODE over a function library combined with techniques from reproducing kernel Hilbert space (RKHS) theory for estimating the state and discretizing the ODE. Our numerical experiments reveal that the proposed strategy leads to significant gains in terms of accuracy, sample efficiency, and robustness to noise, both in terms of learning the equation and estimating the unknown states. This work demonstrates capabilities well beyond existing and widely used algorithms while extending the modeling flexibility of other recent developments in equation discovery.
Authors: Xunlei Qian, Yue Xing
Abstract: Conformal prediction (CP) provides distribution-free, finite-sample coverage guarantees but critically relies on exchangeability, a condition often violated under distribution shift. We study the robustness of split conformal prediction under adversarial perturbations at test time, focusing on both coverage validity and the resulting prediction set size. Our theoretical analysis characterizes how the strength of adversarial perturbations during calibration affects coverage guarantees under adversarial test conditions. We further examine the impact of adversarial training at the model-training stage. Extensive experiments support our theory: (i) Prediction coverage varies monotonically with the calibration-time attack strength, enabling the use of nonzero calibration-time attack to predictably control coverage under adversarial tests; (ii) target coverage can hold over a range of test-time attacks: with a suitable calibration attack, coverage stays within any chosen tolerance band across a contiguous set of perturbation levels; and (iii) adversarial training at the training stage produces tighter prediction sets that retain high informativeness.
Authors: Eghbal Rahimikia, Hao Ni, Weiguan Wang
Abstract: Financial time series forecasting is central to trading, portfolio optimization, and risk management, yet it remains challenging due to noisy, non-stationary, and heterogeneous data. Recent advances in time series foundation models (TSFMs), inspired by large language models, offer a new paradigm for learning generalizable temporal representations from large and diverse datasets. This paper presents the first comprehensive empirical study of TSFMs in global financial markets. Using a large-scale dataset of daily excess returns across diverse markets, we evaluate zero-shot inference, fine-tuning, and pre-training from scratch against strong benchmark models. We find that off-the-shelf pre-trained TSFMs perform poorly in zero-shot and fine-tuning settings, whereas models pre-trained from scratch on financial data achieve substantial forecasting and economic improvements, underscoring the value of domain-specific adaptation. Increasing the dataset size, incorporating synthetic data augmentation, and applying hyperparameter tuning further enhance performance.
Authors: Valentin Roth, Marco Avella-Medina
Abstract: Dependent data underlies many statistical studies in the social and health sciences, which often involve sensitive or private information. Differential privacy (DP) and in particular \textit{user-level} DP provide a natural formalization of privacy requirements for processing dependent data where each individual provides multiple observations to the dataset. However, dependence introduced, e.g., through repeated measurements challenges the existing statistical theory under DP-constraints. In \iid{} settings, noisy Winsorized mean estimators have been shown to be minimax optimal for standard (\textit{item-level}) and \textit{user-level} DP estimation of a mean $\mu \in \R^d$. Yet, their behavior on potentially dependent observations has not previously been studied. We fill this gap and show that Winsorized mean estimators can also be used under dependence for bounded and unbounded data, and can lead to asymptotic and finite sample guarantees that resemble their \iid{} counterparts under a weak notion of dependence. For this, we formalize dependence via log-Sobolev inequalities on the joint distribution of observations. This enables us to adapt the stable histogram by Karwa and Vadhan (2018) to a non-\iid{} setting, which we then use to estimate the private projection intervals of the Winsorized estimator. The resulting guarantees for our item-level mean estimator extend to \textit{user-level} mean estimation and transfer to the local model via a randomized response histogram. Using the mean estimators as building blocks, we provide extensions to random effects models, longitudinal linear regression and nonparametric regression. Therefore, our work constitutes a first step towards a systematic study of DP for dependent data.
Authors: Kaley Brauer, Aditya Prasad Dash, Meet J. Vyas, Ahmed Salim, Stiven Briand Massala
Abstract: Large photometric surveys will image billions of galaxies, but we currently lack quick, reliable automated ways to infer their physical properties like morphology, stellar mass, and star formation rates. Simulations provide galaxy images with ground-truth physical labels, but domain shifts in PSF, noise, backgrounds, selection, and label priors degrade transfer to real surveys. We present a preliminary domain adaptation pipeline that trains on simulated TNG50 galaxies and evaluates on real SDSS galaxies with morphology labels (elliptical/spiral/irregular). We train three backbones (CNN, $E(2)$-steerable CNN, ResNet-18) with focal loss and effective-number class weighting, and a feature-level domain loss $L_D$ built from GeomLoss (entropic Sinkhorn OT, energy distance, Gaussian MMD, and related metrics). We show that a combination of these losses with an OT-based "top_$k$ soft matching" loss that focuses $L_D$ on the worst-matched source-target pairs can further enhance domain alignment. With Euclidean distance, scheduled alignment weights, and top-$k$ matching, target accuracy (macro F1) rises from $\sim$46% ($\sim$30%) at no adaptation to $\sim$87% ($\sim$62.6%), with a domain AUC near 0.5, indicating strong latent-space mixing.
Authors: Ahmad A. Aziz El-Banna, Octavia A. Dobre
Abstract: Integrated sensing and communication and millimeter wave (mmWave) have emerged as pivotal technologies for 6G networks. However, the narrow nature of mmWave beams requires precise alignments that typically necessitate large training overhead. This overhead can be reduced by incorporating the position information with beam adjustments. This letter proposes a lightweight autorencoder (LAE) model that addresses the position-assisted beam prediction problem while significantly reducing computational complexity compared to the conventional baseline method, i.e., deep fully connected neural network. The proposed LAE is designed as a three-layer undercomplete network to exploit its dimensionality reduction capabilities and thereby mitigate the computational requirements of the trained model. Simulation results show that the proposed model achieves a similar beam prediction accuracy to the baseline with an 83% complexity reduction.
Authors: Kensuke Nakamura, Arun L. Bishop, Steven Man, Aaron M. Johnson, Zachary Manchester, Andrea Bajcsy
Abstract: Latent safety filters extend Hamilton-Jacobi (HJ) reachability to operate on latent state representations and dynamics learned directly from high-dimensional observations, enabling safe visuomotor control under hard-to-model constraints. However, existing methods implement "least-restrictive" filtering that discretely switch between nominal and safety policies, potentially undermining the task performance that makes modern visuomotor policies valuable. While reachability value functions can, in principle, be adapted to be control barrier functions (CBFs) for smooth optimization-based filtering, we theoretically and empirically show that current latent-space learning methods produce fundamentally incompatible value functions. We identify two sources of incompatibility: First, in HJ reachability, failures are encoded via a "margin function" in latent space, whose sign indicates whether or not a latent is in the constraint set. However, representing the margin function as a classifier yields saturated value functions that exhibit discontinuous jumps. We prove that the value function's Lipschitz constant scales linearly with the margin function's Lipschitz constant, revealing that smooth CBFs require smooth margins. Second, reinforcement learning (RL) approximations trained solely on safety policy data yield inaccurate value estimates for nominal policy actions, precisely where CBF filtering needs them. We propose the LatentCBF, which addresses both challenges through gradient penalties that lead to smooth margin functions without additional labeling, and a value-training procedure that mixes data from both nominal and safety policy distributions. Experiments on simulated benchmarks and hardware with a vision-based manipulation policy demonstrate that LatentCBF enables smooth safety filtering while doubling the task-completion rate over prior switching methods.
Authors: Jan Benedikt Ruhland, Thorsten Papenbrock, Jan-Peter Sowa, Ali Canbay, Nicole Eter, Bernd Freisleben, Dominik Heider
Abstract: Reliable detection of retinal diseases from fundus images is challenged by the variability in imaging quality, subtle early-stage manifestations, and domain shift across datasets. In this study, we systematically evaluated a Vision Transformer (ViT) classifier under multiple augmentation and enhancement strategies across several heterogeneous public datasets, as well as the AEyeDB dataset, a high-quality fundus dataset created in-house and made available for the research community. The ViT demonstrated consistently strong performance, with accuracies ranging from 0.789 to 0.843 across datasets and diseases. Diabetic retinopathy and age-related macular degeneration were detected reliably, whereas glaucoma remained the most frequently misclassified disease. Geometric and color augmentations provided the most stable improvements, while histogram equalization benefited datasets dominated by structural subtlety. Laplacian enhancement reduced performance across different settings. On the Papila dataset, the ViT with geometric augmentation achieved an AUC of 0.91, outperforming previously reported convolutional ensemble baselines (AUC of 0.87), underscoring the advantages of transformer architectures and multi-dataset training. To complement the classifier, we developed a GANomaly-based anomaly detector, achieving an AUC of 0.76 while providing inherent reconstruction-based explainability and robust generalization to unseen data. Probabilistic calibration using GUESS enabled threshold-independent decision support for future clinical implementation.
Authors: Yildiz Culcu
Abstract: Machine learning models increasingly function as representational systems, yet the philosoph- ical assumptions underlying their internal structures remain largely unexamined. This paper develops a structuralist decision framework for classifying the implicit ontological commitments made in machine learning research on neural network representations. Using a modified PRISMA protocol, a systematic review of the last two decades of literature on representation learning and interpretability is conducted. Five influential papers are analysed through three hierarchical criteria derived from structuralist philosophy of science: entity elimination, source of structure, and mode of existence. The results reveal a pronounced tendency toward structural idealism, where learned representations are treated as model-dependent constructions shaped by architec- ture, data priors, and training dynamics. Eliminative and non-eliminative structuralist stances appear selectively, while structural realism is notably absent. The proposed framework clarifies conceptual tensions in debates on interpretability, emergence, and epistemic trust in machine learning, and offers a rigorous foundation for future interdisciplinary work between philosophy of science and machine learning.
Authors: Akhil Kondepudi, Akshay Rao, Chenhui Zhao, Yiwei Lyu, Samir Harake, Soumyanil Banerjee, Rushikesh Joshi, Anna-Katharina Meissner, Renly Hou, Cheng Jiang, Asadur Chowdury, Ashok Srinivasan, Brian Athey, Vikas Gulani, Aditya Pandey, Honglak Lee, Todd Hollon
Abstract: Frontier artificial intelligence (AI) models, such as OpenAI's GPT-5 and Meta's DINOv3, have advanced rapidly through training on internet-scale public data, yet such systems lack access to private clinical data. Neuroimaging, in particular, is underrepresented in the public domain due to identifiable facial features within MRI and CT scans, fundamentally restricting model performance in clinical medicine. Here, we show that frontier models underperform on neuroimaging tasks and that learning directly from uncurated data generated during routine clinical care at health systems, a paradigm we call health system learning, yields high-performance, generalist neuroimaging models. We introduce NeuroVFM, a visual foundation model trained on 5.24 million clinical MRI and CT volumes using a scalable volumetric joint-embedding predictive architecture. NeuroVFM learns comprehensive representations of brain anatomy and pathology, achieving state-of-the-art performance across multiple clinical tasks, including radiologic diagnosis and report generation. The model exhibits emergent neuroanatomic understanding and interpretable visual grounding of diagnostic findings. When paired with open-source language models through lightweight visual instruction tuning, NeuroVFM generates radiology reports that surpass frontier models in accuracy, clinical triage, and expert preference. Through clinically grounded visual understanding, NeuroVFM reduces hallucinated findings and critical errors, offering safer clinical decision support. These results establish health system learning as a paradigm for building generalist medical AI and provide a scalable framework for clinical foundation models.
Authors: Atena Khoshkonesh, Mohsen Mohammadagha, Navid Ebrahimi, Narges Sadeghigolshan
Abstract: This paper introduces Lean 5.0, a human-centric evolution of Lean-Digital integration that connects predictive analytics, AI collaboration, and continuous learning within Industry 5.0 and Construction 5.0 contexts. A systematic literature review (2019-2024) and a 12-week empirical validation study demonstrate measurable performance gains, including a 13% increase in Plan Percent Complete (PPC), 22% reduction in rework, and 42% improvement in forecast accuracy. The study adopts a mixed-method Design Science Research (DSR) approach aligned with PRISMA 2020 guidelines. The paper also examines integration with digital twin and blockchain technologies to improve traceability, auditability, and lifecycle transparency. Despite limitations related to sample size, single-case design, and study duration, the findings show that Lean 5.0 provides a transformative paradigm connecting human cognition with predictive control in construction management.
Authors: Nuo Xu, Zhaoting Gong, Ran Ran, Jinwei Tang, Wujie Wen, Caiwen Ding
Abstract: Fully Homomorphic Encryption (FHE), particularly the CKKS scheme, is a promising enabler for privacy-preserving MLaaS, but its practical deployment faces a prohibitive barrier: it heavily relies on domain expertise. Configuring CKKS involves a tightly coupled space of ring dimensions, modulus chains, and packing layouts. Without deep cryptographic knowledge to navigate these interactions, practitioners are restricted to compilers that rely on fixed heuristics. These "one-shot" tools often emit rigid configurations that are either severely over-provisioned in latency or fail to find a feasible solution entirely for deeper networks. We present FHE-Agent, an agentic framework that automates this expert reasoning process. By coupling a Large Language Model (LLM) controller with a deterministic tool suite, FHE-Agent decomposes the search into global parameter selection and layer-wise bottleneck repair. The agents operate within a multi-fidelity workflow, pruning invalid regimes using cheap static analysis and reserving expensive encrypted evaluations for the most promising candidates. We instantiate FHE-Agent on the Orion compiler and evaluate it on standard benchmarks (MLP, LeNet, LoLa) and deeper architectures (AlexNet). FHE-Agent consistently achieves better precision and lower latency than na\"ive search strategies. Crucially, it automatically discovers feasible, 128-bit secure configurations for complex models where baseline heuristics and one-shot prompts fail to produce a valid setup.
Authors: Guillaume Braun, Bruno Loureiro, Ha Quang Minh, Masaaki Imaizumi
Abstract: Scaling laws describe how learning performance improves with data, compute, or training time, and have become a central theme in modern deep learning. We study this phenomenon in a canonical nonlinear model: phase retrieval with anisotropic Gaussian inputs whose covariance spectrum follows a power law. Unlike the isotropic case, where dynamics collapse to a two-dimensional system, anisotropy yields a qualitatively new regime in which an infinite hierarchy of coupled equations governs the evolution of the summary statistics. We develop a tractable reduction that reveals a three-phase trajectory: (i) fast escape from low alignment, (ii) slow convergence of the summary statistics, and (iii) spectral-tail learning in low-variance directions. From this decomposition, we derive explicit scaling laws for the mean-squared error, showing how spectral decay dictates convergence times and error curves. Experiments confirm the predicted phases and exponents. These results provide the first rigorous characterization of scaling laws in nonlinear regression with anisotropic data, highlighting how anisotropy reshapes learning dynamics.
Authors: Alexander Mehta, Ruangrawee Kitichotkul, Vivek K Goyal, Juli\'an Tachella
Abstract: Equivariant imaging (EI) enables training signal reconstruction models without requiring ground truth data by leveraging signal symmetries. Deep equilibrium models (DEQs) are a powerful class of neural networks where the output is a fixed point of a learned operator. However, training DEQs with complex EI losses requires implicit differentiation through fixed-point computations, whose implementation can be challenging. We show that backpropagation can be implemented modularly, simplifying training. Experiments demonstrate that DEQs trained with implicit differentiation outperform those trained with Jacobian-free backpropagation and other baseline methods. Additionally, we find evidence that EI-trained DEQs approximate the proximal map of an invariant prior.
Authors: Alfredo Metere
Abstract: Large matrix multiplication is a cornerstone of modern machine learning workloads, yet traditional approaches suffer from cubic computational complexity (e.g., $\mathcal{O}(n^3)$ for a matrix of size $n\times n$). We present Low-Rank GEMM, a novel approach that leverages low-rank matrix approximations to achieve sub-quadratic complexity while maintaining hardware-accelerated performance through FP8 precision and intelligent kernel selection. On a NVIDIA RTX 4090, our implementation achieves up to 378 TFLOPS on matrices up to $N=20480$, providing 75\% memory savings and $7.8\times$ speedup over PyTorch FP32 for large matrices. The system automatically adapts to hardware capabilities, selecting optimal decomposition methods (SVD, randomized SVD) and precision levels based on matrix characteristics and available accelerators. Comprehensive benchmarking on NVIDIA RTX 4090 demonstrates that Low-Rank GEMM becomes the fastest approach for matrices $N\geq10240$, surpassing traditional cuBLAS implementations through memory bandwidth optimization rather than computational shortcuts.
Authors: Aman Verma, Keshav Samdani, Mohd. Samiuddin Shafi
Abstract: This paper presents the design, implementation, and evolution of a comprehensive multimodal room-monitoring system that integrates synchronized video and audio processing for real-time activity recognition and anomaly detection. We describe two iterations of the system: an initial lightweight implementation using YOLOv8, ByteTrack, and the Audio Spectrogram Transformer (AST), and an advanced version that incorporates multi-model audio ensembles, hybrid object detection, bidirectional cross-modal attention, and multi-method anomaly detection. The evolution demonstrates significant improvements in accuracy, robustness, and industrial applicability. The advanced system combines three audio models (AST, Wav2Vec2, and HuBERT) for comprehensive audio understanding, dual object detectors (YOLO and DETR) for improved accuracy, and sophisticated fusion mechanisms for enhanced cross-modal learning. Experimental evaluation shows the system's effectiveness in general monitoring scenarios as well as specialized industrial safety applications, achieving real-time performance on standard hardware while maintaining high accuracy.
Authors: Jiarui Xue, Dongjian Yang, Ye Sun, Gang Liu
Abstract: In real-world scenarios of image recognition, there exists substantial noise interference. Existing works primarily focus on methods such as adjusting networks or training strategies to address noisy image recognition, and the anti-noise performance has reached a bottleneck. However, little is known about the exploration of anti-interference solutions from a neuronal perspective.This paper proposes an anti-noise neuronal convolution. This convolution mimics the dendritic structure of neurons, integrates the neighborhood interaction computation logic of dendrites into the underlying design of convolutional operations, and simulates the XOR logic preprocessing function of biological dendrites through nonlinear interactions between input features, thereby fundamentally reconstructing the mathematical paradigm of feature extraction. Unlike traditional convolution where noise directly interferes with feature extraction and exerts a significant impact, DDC mitigates the influence of noise by focusing on the interaction of neighborhood information. Experimental results demonstrate that in image classification tasks (using YOLOv11-cls, VGG16, and EfficientNet-B0) and object detection tasks (using YOLOv11, YOLOv8, and YOLOv5), after replacing traditional convolution with the dendritic convolution, the accuracy of the EfficientNet-B0 model on noisy datasets is relatively improved by 11.23%, and the mean Average Precision (mAP) of YOLOv8 is increased by 19.80%. The consistency between the computation method of this convolution and the dendrites of biological neurons enables it to perform significantly better than traditional convolution in complex noisy environments.
Authors: Mustafa Munir, Harsh Goel, Xiwen Wei, Minkyu Choi, Sahil Shah, Kartikeya Bhardwaj, Paul Whatmough, Sandeep Chinchali, Radu Marculescu
Abstract: Video editing and synthesis often introduce object inconsistencies, such as frame flicker and identity drift that degrade perceptual quality. To address these issues, we introduce ObjectAlign, a novel framework that seamlessly blends perceptual metrics with symbolic reasoning to detect, verify, and correct object-level and temporal inconsistencies in edited video sequences. The novel contributions of ObjectAlign are as follows: First, we propose learnable thresholds for metrics characterizing object consistency (i.e. CLIP-based semantic similarity, LPIPS perceptual distance, histogram correlation, and SAM-derived object-mask IoU). Second, we introduce a neuro-symbolic verifier that combines two components: (a) a formal, SMT-based check that operates on masked object embeddings to provably guarantee that object identity does not drift, and (b) a temporal fidelity check that uses a probabilistic model checker to verify the video's formal representation against a temporal logic specification. A frame transition is subsequently deemed "consistent" based on a single logical assertion that requires satisfying both the learned metric thresholds and this unified neuro-symbolic constraint, ensuring both low-level stability and high-level temporal correctness. Finally, for each contiguous block of flagged frames, we propose a neural network based interpolation for adaptive frame repair, dynamically choosing the interpolation depth based on the number of frames to be corrected. This enables reconstruction of the corrupted frames from the last valid and next valid keyframes. Our results show up to 1.4 point improvement in CLIP Score and up to 6.1 point improvement in warp error compared to SOTA baselines on the DAVIS and Pexels video datasets.
Authors: Jin Chai, Xiaoxiao Ma, Jian Yang, Jia Wu
Abstract: Sequential recommendation models user preferences to predict the next target item. Most existing work is passive, where the system responds only when users open the application, missing chances after closure. We investigate active recommendation, which predicts the next interaction time and actively delivers items. Two challenges: accurately estimating the Time of Interest (ToI) and generating Item of Interest (IoI) conditioned on the predicted ToI. We propose PASRec, a diffusion-based framework that aligns ToI and IoI via a joint objective. Experiments on five benchmarks show superiority over eight state-of-the-art baselines under leave-one-out and temporal splits.
Authors: Kaixiang Yang, Jiarong Liu, Yupeng Song, Shuanghua Yang, Yujue Zhou
Abstract: Time series anomaly detection is widely used in IoT and cyber-physical systems, yet its evaluation remains challenging due to diverse application objectives and heterogeneous metric assumptions. This study introduces a problem-oriented framework that reinterprets existing metrics based on the specific evaluation challenges they are designed to address, rather than their mathematical forms or output structures. We categorize over twenty commonly used metrics into six dimensions: 1) basic accuracy-driven evaluation; 2) timeliness-aware reward mechanisms; 3) tolerance to labeling imprecision; 4) penalties reflecting human-audit cost; 5) robustness against random or inflated scores; and 6) parameter-free comparability for cross-dataset benchmarking. Comprehensive experiments are conducted to examine metric behavior under genuine, random, and oracle detection scenarios. By comparing their resulting score distributions, we quantify each metric's discriminative ability -- its capability to distinguish meaningful detections from random noise. The results show that while most event-level metrics exhibit strong separability, several widely used metrics (e.g., NAB, Point-Adjust) demonstrate limited resistance to random-score inflation. These findings reveal that metric suitability must be inherently task-dependent and aligned with the operational objectives of IoT applications. The proposed framework offers a unified analytical perspective for understanding existing metrics and provides practical guidance for selecting or developing more context-aware, robust, and fair evaluation methodologies for time series anomaly detection.
Authors: Zhenghan Fang, Jian Zheng, Qiaozi Gao, Xiaofeng Gao, Jeremias Sulam
Abstract: Diffusion models have emerged as a dominant paradigm for generative modeling across a wide range of domains, including prompt-conditional generation. The vast majority of samplers, however, rely on forward discretization of the reverse diffusion process and use score functions that are learned from data. Such forward and explicit discretizations can be slow and unstable, requiring a large number of sampling steps to produce good-quality samples. In this work we develop a text-to-image (T2I) diffusion model based on backward discretizations, dubbed ProxT2I, relying on learned and conditional proximal operators instead of score functions. We further leverage recent advances in reinforcement learning and policy optimization to optimize our samplers for task-specific rewards. Additionally, we develop a new large-scale and open-source dataset comprising 15 million high-quality human images with fine-grained captions, called LAION-Face-T2I-15M, for training and evaluation. Our approach consistently enhances sampling efficiency and human-preference alignment compared to score-based baselines, and achieves results on par with existing state-of-the-art and open-source text-to-image models while requiring lower compute and smaller model size, offering a lightweight yet performant solution for human text-to-image generation.
Authors: Samya Praharaj, Koulik Khamaru
Abstract: Statistical inference from data generated by multi-armed bandit (MAB) algorithms is challenging due to their adaptive, non-i.i.d. nature. A classical manifestation is that sample averages of arm rewards under bandit sampling may fail to satisfy a central limit theorem. Lai and Wei's stability condition provides a sufficient, and essentially necessary criterion, for asymptotic normality in bandit problems. While the celebrated Upper Confidence Bound (UCB) algorithm satisfies this stability condition, it is not minimax optimal, raising the question of whether minimax optimality and statistical stability can be achieved simultaneously. In this paper, we analyze the stability properties of a broad class of bandit algorithms that are based on the optimism principle. We establish general structural conditions under which such algorithms violate the Lai-Wei stability criterion. As a consequence, we show that widely used minimax-optimal UCB-style algorithms, including MOSS, Anytime-MOSS, Vanilla-MOSS, ADA-UCB, OC-UCB, KL-MOSS, KL-UCB++, KL-UCB-SWITCH, and Anytime KL-UCB-SWITCH, are unstable. We further complement our theoretical results with numerical simulations demonstrating that, in all these cases, the sample means fail to exhibit asymptotic normality. Overall, our findings suggest a fundamental tension between stability and minimax optimal regret, raising the question of whether it is possible to design bandit algorithms that achieve both. Understanding whether such simultaneously stable and minimax optimal strategies exist remains an important open direction.
Authors: Bhuvan Sachdeva, Karan Uppal, Abhinav Java, Vineeth N. Balasubramanian
Abstract: Vision-Language Models (VLMs) perform well on multimodal benchmarks but lag behind humans and specialized models on visual perception tasks like depth estimation or object counting. Finetuning on one task can unpredictably affect performance on others, making task-specific finetuning challenging. In this paper, we address this challenge through a systematic study of task transferability. We examine how finetuning a VLM on one perception task affects its zero-shot performance on others. To quantify these effects, we introduce Perfection Gap Factor (PGF), a metric that captures both the breadth and magnitude of transfer. Using three open-weight VLMs evaluated across 13 perception tasks, we construct a task-transfer graph that reveals previously unobserved relationships among perception tasks. Our analysis uncovers patterns of positive and negative transfer, identifies groups of tasks that mutually influence each other, organizes tasks into personas based on their transfer behavior and demonstrates how PGF can guide data selection for more efficient training. These findings highlight both opportunities for positive transfer and risks of negative interference, offering actionable guidance for advancing VLMs.
Authors: Yejing Wang, Shengyu Zhou, Jinyu Lu, Ziwei Liu, Langming Liu, Maolin Wang, Wenlin Zhang, Feng Li, Wenbo Su, Pengjie Wang, Jian Xu, Xiangyu Zhao
Abstract: Generative Recommendation (GR), powered by Large Language Models (LLMs), represents a promising new paradigm for industrial recommender systems. However, their practical application is severely hindered by high inference latency, which makes them infeasible for high-throughput, real-time services and limits their overall business impact. While Speculative Decoding (SD) has been proposed to accelerate the autoregressive generation process, existing implementations introduce new bottlenecks: they typically require separate draft models and model-based verifiers, requiring additional training and increasing the latency overhead. In this paper, we address these challenges with NEZHA, a novel architecture that achieves hyperspeed decoding for GR systems without sacrificing recommendation quality. Specifically, NEZHA integrates a nimble autoregressive draft head directly into the primary model, enabling efficient self-drafting. This design, combined with a specialized input prompt structure, preserves the integrity of sequence-to-sequence generation. Furthermore, to tackle the critical problem of hallucination, a major source of performance degradation, we introduce an efficient, model-free verifier based on a hash set. We demonstrate the effectiveness of NEZHA through extensive experiments on public datasets and have successfully deployed the system on Taobao since October 2025, driving the billion-level advertising revenue and serving hundreds of millions of daily active users.
Authors: Sing-Yuan Yeh, Chun-Hao Yang
Abstract: Persistent homology (PH) is a crucial concept in computational topology, providing a multiscale topological description of a space. It is particularly significant in topological data analysis, which aims to make statistical inference from a topological perspective. In this work, we introduce a new topological summary for Bayesian neural networks, termed the predictive topological uncertainty (pTU). The proposed pTU measures the uncertainty in the interaction between the model and the inputs. It provides insights from the model perspective: if two samples interact with a model in a similar way, then they are considered identically distributed. We also show that the pTU is insensitive to the model architecture. As an application, pTU is used to solve the out-of-distribution (OOD) detection problem, which is critical to ensure model reliability. Failure to detect OOD input can lead to incorrect and unreliable predictions. To address this issue, we propose a significance test for OOD based on the pTU, providing a statistical framework for this issue. The effectiveness of the framework is validated through various experiments, in terms of its statistical power, sensitivity, and robustness.
Authors: Qifeng Hu, Inanc Senocak
Abstract: We present a meshless method for the solution of incompressible Navier-Stokes equations in advection-dominated regimes using physics- and equality-constrained artificial neural networks combined with a conditionally adaptive augmented Lagrangian formulation. A single neural network parameterizes both the velocity and pressure fields, and is trained by minimizing the residual of a Poisson's equation for pressure, constrained by the momentum and continuity equations, together with boundary conditions on the velocity field. No boundary conditions are imposed on the pressure field aside from anchoring the pressure at a point to prevent its unbounded development. The training is performed from scratch without labeled data, relying solely on the governing equations and constraints. To enhance accuracy in advection-dominated flows, we employ a single Fourier feature mapping of the input coordinates. The proposed method is demonstrated for the canonical lid-driven cavity flow up to a Reynolds number of 7,500 and for laminar flow over a circular cylinder with inflow-outflow boundary conditions, achieving excellent agreement with benchmark solutions. We further compare the present formulation against alternative objective-function constructions based on different arrangements of the flow equations, thereby highlighting the algorithmic advantages of the proposed formulation centered around the Poisson's equation for pressure.
Authors: Aakash Gore, Anoushka Dey, Aryan Mishra
Abstract: Knowledge distillation has emerged as a powerful technique for model compression, enabling the transfer of knowledge from large teacher networks to compact student models. However, traditional knowledge distillation methods treat all teacher predictions equally, regardless of the teacher's confidence in those predictions. This paper proposes an uncertainty-aware dual-student knowledge distillation framework that leverages teacher prediction uncertainty to selectively guide student learning. We introduce a peer-learning mechanism where two heterogeneous student architectures, specifically ResNet-18 and MobileNetV2, learn collaboratively from both the teacher network and each other. Experimental results on ImageNet-100 demonstrate that our approach achieves superior performance compared to baseline knowledge distillation methods, with ResNet-18 achieving 83.84\% top-1 accuracy and MobileNetV2 achieving 81.46\% top-1 accuracy, representing improvements of 2.04\% and 0.92\% respectively over traditional single-student distillation approaches.
Authors: Edgar Dobriban
Abstract: Over the last few months, AI models including large language models have improved greatly. There are now several documented examples where they have helped professional mathematical scientists prove new results, sometimes even helping resolve known open problems. In this short note, we add another example to the list, by documenting how we were able to solve a previously unsolved research problem in robust mathematical statistics with crucial help from GPT-5. Our problem concerns robust density estimation, where the observations are perturbed by Wasserstein-bounded contaminations.In a previous preprint (Chao and Dobriban, 2023, arxiv:2308.01853v2), we have obtained upper and lower bounds on the minimax optimal estimation error; which were, however, not sharp. Starting in October 2025, making significant use of GPT-5 Pro, we were able to derive the minimax optimal error rate (reported in version 3 of the above arxiv preprint). GPT-5 provided crucial help along the way, including by suggesting calculations that we did not think of, and techniques that were not familiar to us, such as the dynamic Benamou-Brenier formulation, for key steps in the analysis. Working with GPT-5 took a few weeks of effort, and we estimate that it could have taken several months to get the same results otherwise. At the same time, there are still areas where working with GPT-5 was challenging: it sometimes provided incorrect references, and glossed over details that sometimes took days of work to fill in. We outline our workflow and steps taken to mitigate issues. Overall, our work can serve as additional documentation for a new age of human-AI collaborative work in mathematical science.
Authors: Yasiru Laksara, Uthayasanker Thayasivam
Abstract: The utility of deep learning models, such as CheXNet, in high stakes clinical settings is fundamentally constrained by their purely deterministic nature, failing to provide reliable measures of predictive confidence. This project addresses this critical gap by integrating robust Uncertainty Quantification (UQ) into a high performance diagnostic platform for 14 common thoracic diseases on the NIH ChestX-ray14 dataset. Initial architectural development failed to stabilize performance and calibration using Monte Carlo Dropout (MCD), yielding an unacceptable Expected Calibration Error (ECE) of 0.7588. This technical failure necessitated a rigorous architectural pivot to a high diversity, 9-member Deep Ensemble (DE). This resulting DE successfully stabilized performance and delivered superior reliability, achieving a State-of-the-Art (SOTA) average Area Under the Receiver Operating Characteristic Curve (AUROC) of 0.8559 and an average F1 Score of 0.3857. Crucially, the DE demonstrated superior calibration (Mean ECE of 0.0728 and Negative Log-Likelihood (NLL) of 0.1916) and enabled the reliable decomposition of total uncertainty into its Aleatoric (irreducible data noise) and Epistemic (reducible model knowledge) components, with a mean Epistemic Uncertainty (EU) of 0.0240. These results establish the Deep Ensemble as a trustworthy and explainable platform, transforming the model from a probabilistic tool into a reliable clinical decision support system.
Authors: Heger Arfaoui, Mohammed Iheb Hergli, Beya Benzina, Slimane BenMiled
Abstract: Focus group discussions generate rich qualitative data but their analysis traditionally relies on labor-intensive manual coding that limits scalability and reproducibility. We present a rigorous, reproducible computational framework for applying neural topic modeling to focus group transcripts, addressing fundamental methodological challenges: hyperparameter sensitivity, model stability, and validation of interpretability. Using BERTopic applied to ten focus groups exploring HPV vaccine perceptions in Tunisia (1,076 utterances), we conducted systematic evaluation across 27 hyperparameter configurations, assessed stability through bootstrap resampling with 30 replicates per configuration, and validated interpretability through formal human evaluation by three domain experts. Our analysis demonstrates substantial sensitivity to hyperparameter choices and reveals that metric selection for stability assessment must align with analytical goals. A hierarchical merging strategy (extracting fine-grained topics for stability then consolidating for interpretability) effectively navigates the stability-coherence tradeoff, achieving coherence of 0.558 compared to 0.539 for direct extraction. Human validation confirmed topic quality with very good inter-rater reliability (ICC = 0.79, weighted Cohen's kappa = 0.578). Our framework provides practical guidelines that researchers can adapt to their own qualitative research contexts. All code, data processing scripts, and evaluation protocols are publicly available to support reproduction and extension of this work.
Authors: Yuzhi Chen, Yuanchang Xie, Lei Zhao, Pan Liu, Yajie Zou, Chen Wang
Abstract: Multimodal trajectory prediction generates multiple plausible future trajectories to address vehicle motion uncertainty from intention ambiguity and execution variability. However, HD map-dependent models suffer from costly data acquisition, delayed updates, and vulnerability to corrupted inputs, causing prediction failures. Map-free approaches lack global context, with pairwise attention over-amplifying straight patterns while suppressing transitional patterns, resulting in motion-intention misalignment. This paper proposes GContextFormer, a plug-and-play encoder-decoder architecture with global context-aware hybrid attention and scaled additive aggregation achieving intention-aligned multimodal prediction without map reliance. The Motion-Aware Encoder builds scene-level intention prior via bounded scaled additive aggregation over mode-embedded trajectory tokens and refines per-mode representations under shared global context, mitigating inter-mode suppression and promoting intention alignment. The Hierarchical Interaction Decoder decomposes social reasoning into dual-pathway cross-attention: a standard pathway ensures uniform geometric coverage over agent-mode pairs while a neighbor-context-enhanced pathway emphasizes salient interactions, with gating module mediating their contributions to maintain coverage-focus balance. Experiments on eight highway-ramp scenarios from TOD-VT dataset show GContextFormer outperforms state-of-the-art baselines. Compared to existing transformer models, GContextFormer achieves greater robustness and concentrated improvements in high-curvature and transition zones via spatial distributions. Interpretability is achieved through motion mode distinctions and neighbor context modulation exposing reasoning attribution. The modular architecture supports extensibility toward cross-domain multimodal reasoning tasks. Source: https://fenghy-chen.github.io/sources/.
Authors: Lilian Say (LPSM), Christophe Denis (SAMM), Rafael Pinot (LPSM)
Abstract: The increasing use of machine learning in sensitive applications demands algorithms that simultaneously preserve data privacy and ensure fairness across potentially sensitive sub-populations. While privacy and fairness have each been extensively studied, their joint treatment remains poorly understood. Existing research often frames them as conflicting objectives, with multiple studies suggesting that strong privacy notions such as differential privacy inevitably compromise fairness. In this work, we challenge that perspective by showing that differential privacy can be integrated into a fairness-enhancing pipeline with minimal impact on fairness guarantees. We design a postprocessing algorithm, called DP2DP, that enforces both demographic parity and differential privacy. Our analysis reveals that our algorithm converges towards its demographic parity objective at essentially the same rate (up logarithmic factor) as the best non-private methods from the literature. Experiments on both synthetic and real datasets confirm our theoretical results, showing that the proposed algorithm achieves state-of-the-art accuracy/fairness/privacy trade-offs.
Authors: Juntao Gao, Feiyang Ye, Jing Zhang, Wenjing Qian
Abstract: Vision-Language-Action (VLA) models have emerged as a powerful paradigm in Embodied AI. However, the significant computational overhead of processing redundant visual tokens remains a critical bottleneck for real-time robotic deployment. While standard token pruning techniques can alleviate this, these task-agnostic methods struggle to preserve task-critical visual information. To address this challenge, simultaneously preserving both the holistic context and fine-grained details for precise action, we propose Compressor-VLA, a novel hybrid instruction-conditioned token compression framework designed for efficient, task-oriented compression of visual information in VLA models. The proposed Compressor-VLA framework consists of two token compression modules: a Semantic Task Compressor (STC) that distills holistic, task-relevant context, and a Spatial Refinement Compressor (SRC) that preserves fine-grained spatial details. This compression is dynamically modulated by the natural language instruction, allowing for the adaptive condensation of task-relevant visual information. Experimentally, extensive evaluations demonstrate that Compressor-VLA achieves a competitive success rate on the LIBERO benchmark while reducing FLOPs by 59% and the visual token count by over 3x compared to its baseline. The real-robot deployments on a dual-arm robot platform validate the model's sim-to-real transferability and practical applicability. Moreover, qualitative analyses reveal that our instruction guidance dynamically steers the model's perceptual focus toward task-relevant objects, thereby validating the effectiveness of our approach.
Authors: Zineddine Tighidet, Lazhar Labiod, Mohamed Nadif
Abstract: The mixture model is undoubtedly one of the greatest contributions to clustering. For continuous data, Gaussian models are often used and the Expectation-Maximization (EM) algorithm is particularly suitable for estimating parameters from which clustering is inferred. If these models are particularly popular in various domains including image clustering, they however suffer from the dimensionality and also from the slowness of convergence of the EM algorithm. However, the Classification EM (CEM) algorithm, a classifying version, offers a fast convergence solution while dimensionality reduction still remains a challenge. Thus we propose in this paper an algorithm combining simultaneously and non-sequentially the two tasks --Data embedding and Clustering-- relying on Principal Component Analysis (PCA) and CEM. We demonstrate the interest of such approach in terms of clustering and data embedding. We also establish different connections with other clustering approaches.
Authors: Jin-Young Kim, Hyojun Go, Lea Bogensperger, Julius Erbach, Nikolai Kalischek, Federico Tombari, Konrad Schindler, Dominik Narnhofer
Abstract: MeanFlow promises high-quality generative modeling in few steps, by jointly learning instantaneous and average velocity fields. Yet, the underlying training dynamics remain unclear. We analyze the interaction between the two velocities and find: (i) well-established instantaneous velocity is a prerequisite for learning average velocity; (ii) learning of instantaneous velocity benefits from average velocity when the temporal gap is small, but degrades as the gap increases; and (iii) task-affinity analysis indicates that smooth learning of large-gap average velocities, essential for one-step generation, depends on the prior formation of accurate instantaneous and small-gap average velocities. Guided by these observations, we design an effective training scheme that accelerates the formation of instantaneous velocity, then shifts emphasis from short- to long-interval average velocity. Our enhanced MeanFlow training yields faster convergence and significantly better few-step generation: With the same DiT-XL backbone, our method reaches an impressive FID of 2.87 on 1-NFE ImageNet 256x256, compared to 3.43 for the conventional MeanFlow baseline. Alternatively, our method matches the performance of the MeanFlow baseline with 2.5x shorter training time, or with a smaller DiT-L backbone.
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: Emanuele Pardini, Katerina Papagiannouli
Abstract: Unbalanced optimal transport (UOT) provides a flexible way to match or compare nonnegative finite Radon measures. However, UOT requires a predefined ground transport cost, which may misrepresent the data's underlying geometry. Choosing such a cost is particularly challenging when datasets live in heterogeneous spaces, often motivating practitioners to adopt Gromov-Wasserstein formulations. To address this challenge, we introduce cost-regularized unbalanced optimal transport (CR-UOT), a framework that allows the ground cost to vary while allowing mass creation and removal. We show that CR-UOT incorporates unbalanced Gromov-Wasserstein type problems through families of inner-product costs parameterized by linear transformations, enabling the matching of measures or point clouds across Euclidean spaces. We develop algorithms for such CR-UOT problems using entropic regularization and demonstrate that this approach improves the alignment of heterogeneous single-cell omics profiles, especially when many cells lack direct matches.
Authors: Chih-Duo Hong, Hongjian Jiang, Anthony W. Lin, Oliver Markgraf, Julian Parsert, Tony Tan
Abstract: Automata extraction is a method for synthesising interpretable surrogates for black-box neural models that can be analysed symbolically. Existing techniques assume a finite input alphabet, and thus are not directly applicable to data sequences drawn from continuous domains. We address this challenge with deterministic register automata (DRAs), which extend finite automata with registers that store and compare numeric values. Our main contribution is a framework for robust DRA extraction from black-box models: we develop a polynomial-time robustness checker for DRAs with a fixed number of registers, and combine it with passive and active automata learning algorithms. This combination yields surrogate DRAs with statistical robustness and equivalence guarantees. As a key application, we use the extracted automata to assess the robustness of neural networks: for a given sequence and distance metric, the DRA either certifies local robustness or produces a concrete counterexample. Experiments on recurrent neural networks and transformer architectures show that our framework reliably learns accurate automata and enables principled robustness evaluation. Overall, our results demonstrate that robust DRA extraction effectively bridges neural network interpretability and formal reasoning without requiring white-box access to the underlying network.
Authors: Huisoo Lee, Jisu Han, Hyunsouk Cho, Wonjun Hwang
Abstract: Source-Free Domain Adaptation (SFDA) aims to adapt a pre-trained source model to an unlabeled target domain without access to source data. Recent advances in Foundation Models (FMs) have introduced new opportunities for leveraging external semantic knowledge to guide SFDA. However, relying on a single FM is often insufficient, as it tends to bias adaptation toward a restricted semantic coverage, failing to capture diverse contextual cues under domain shift. To overcome this limitation, we propose a Collaborative Multi-foundation Adaptation (CoMA) framework that jointly leverages two different FMs (e.g., CLIP and BLIP) with complementary properties to capture both global semantics and local contextual cues. Specifically, we employ a bidirectional adaptation mechanism that (1) aligns different FMs with the target model for task adaptation while maintaining their semantic distinctiveness, and (2) transfers complementary knowledge from the FMs to the target model. To ensure stable adaptation under mini-batch training, we introduce Decomposed Mutual Information (DMI) that selectively enhances true dependencies while suppressing false dependencies arising from incomplete class coverage. Extensive experiments demonstrate that our method consistently outperforms existing state-of-the-art SFDA methods across four benchmarks, including Office-31, Office-Home, DomainNet-126, and VisDA, under the closed-set setting, while also achieving best results on partial-set and open-set variants.
Authors: Georgios Maragkopoulos, Lazaros Chavatzoglou, Aikaterini Mandilara, Dimitris Syvridis
Abstract: In finance, predictive models must balance accuracy and interpretability, particularly in credit risk assessment, where model decisions carry material consequences. We present a quantum neural network (QNN) based on a single qudit, in which both data features and trainable parameters are co-encoded within a unified unitary evolution generated by the full Lie algebra. This design explores the entire Hilbert space while enabling interpretability through the magnitudes of the learned coefficients. We benchmark our model on a real-world, imbalanced credit-risk dataset from Taiwan. The proposed QNN consistently outperforms LR and reaches the results of random forest models in macro-F1 score while preserving a transparent correspondence between learned parameters and input feature importance. To quantify the interpretability of the proposed model, we introduce two complementary metrics: (i) the edit distance between the model's feature ranking and that of LR, and (ii) a feature-poisoning test where selected features are replaced with noise. Results indicate that the proposed quantum model achieves competitive performance while offering a tractable path toward interpretable quantum learning.
Authors: Weitao Liu
Abstract: This paper introduces a novel Kalman filter framework designed to achieve robust state estimation under both process and measurement noise. Inspired by the Weighted Observation Likelihood Filter (WoLF), which provides robustness against measurement outliers, we applied generalized Bayesian approach to build a framework considering both process and measurement noise outliers.
Authors: Joonhyung Bae
Abstract: Bioart's hybrid nature spanning art, science, technology, ethics, and politics defies traditional single-axis categorization. I present BioArtlas, analyzing 81 bioart works across thirteen curated dimensions using novel axis-aware representations that preserve semantic distinctions while enabling cross-dimensional comparison. Our codebook-based approach groups related concepts into unified clusters, addressing polysemy in cultural terminology. Comprehensive evaluation of up to 800 representation-space-algorithm combinations identifies Agglomerative clustering at k=15 on 4D UMAP as optimal (silhouette 0.664 +/- 0.008, trustworthiness/continuity 0.805/0.812). The approach reveals four organizational patterns: artist-specific methodological cohesion, technique-based segmentation, temporal artistic evolution, and trans-temporal conceptual affinities. By separating analytical optimization from public communication, I provide rigorous analysis and accessible exploration through an interactive web interface (https://www.bioartlas.com) with the dataset publicly available (https://github.com/joonhyungbae/BioArtlas).
URLs: https://www.bioartlas.com), https://github.com/joonhyungbae/BioArtlas).
Authors: Nithira Jayarathne, Naveen Basnayake, Keshawa Jayasundara, Pasindu Dodampegama, Praveen Wijesinghe, Hirushika Pelagewatta, Kavishka Abeywardana, Sandushan Ranaweera, Chamira Edussooriya
Abstract: Detecting deepfake images is crucial in combating misinformation. We present a lightweight, generalizable binary classification model based on EfficientNet-B6, fine-tuned with transformation techniques to address severe class imbalances. By leveraging robust preprocessing, oversampling, and optimization strategies, our model achieves high accuracy, stability, and generalization. While incorporating Fourier transform-based phase and amplitude features showed minimal impact, our proposed framework helps non-experts to effectively identify deepfake images, making significant strides toward accessible and reliable deepfake detection.
Authors: Teodora Popordanoska, Jiameng Li, Matthew B. Blaschko
Abstract: Contradictory multimodal inputs are common in real-world settings, yet existing benchmarks typically assume input consistency and fail to evaluate cross-modal contradiction detection - a fundamental capability for preventing hallucinations and ensuring reliability. We introduce CLASH, a novel benchmark for multimodal contradiction detection, featuring COCO images paired with contradictory captions containing controlled object-level or attribute-level contradictions. The samples include targeted questions evaluated in both multiple-choice and open-ended formats. The benchmark provides an extensive fine-tuning set filtered through automated quality checks, alongside a smaller human-verified diagnostic set. Our analysis of state-of-the-art models reveals substantial limitations in recognizing cross-modal conflicts, exposing systematic modality biases and category-specific weaknesses. Furthermore, we empirically demonstrate that targeted fine-tuning on CLASH substantially enhances conflict detection capabilities.
Authors: Hibah Agha, Samuel Yen-Chi Chen, Huan-Hsin Tseng, Shinjae Yoo
Abstract: In recent years, machine learning and deep learning have driven advances in domains such as image classification, speech recognition, and anomaly detection by leveraging multi-layer neural networks to model complex data. Simultaneously, quantum computing (QC) promises to address classically intractable problems via quantum parallelism, motivating research in quantum machine learning (QML). Among QML techniques, quantum autoencoders show promise for compressing high-dimensional quantum and classical data. However, designing effective quantum circuit architectures for quantum autoencoders remains challenging due to the complexity of selecting gates, arranging circuit layers, and tuning parameters. This paper proposes a neural architecture search (NAS) framework that automates the design of quantum autoencoders using a genetic algorithm (GA). By systematically evolving variational quantum circuit (VQC) configurations, our method seeks to identify high-performing hybrid quantum-classical autoencoders for data reconstruction without becoming trapped in local minima. We demonstrate effectiveness on image datasets, highlighting the potential of quantum autoencoders for efficient feature extraction within a noise-prone, near-term quantum era. Our approach lays a foundation for broader application of genetic algorithms to quantum architecture search, aiming for a robust, automated method that can adapt to varied data and hardware constraints.
Authors: Hang Ding, Xue Wang, Tian Zhou, Tao Yao
Abstract: Diffusion models have recently shown promise in time series forecasting, particularly for probabilistic predictions. However, they often fail to achieve state-of-the-art point estimation performance compared to regression-based methods. This limitation stems from difficulties in providing sufficient contextual bias to track distribution shifts and in balancing output diversity with the stability and precision required for point forecasts. Existing diffusion-based approaches mainly focus on full-distribution modeling under probabilistic frameworks, often with likelihood maximization objectives, while paying little attention to dedicated strategies for high-accuracy point estimation. Moreover, other existing point prediction diffusion methods frequently rely on pre-trained or jointly trained mature models for contextual bias, sacrificing the generative flexibility of diffusion models. To address these challenges, we propose SimDiff, a single-stage, end-to-end framework. SimDiff employs a single unified Transformer network carefully tailored to serve as both denoiser and predictor, eliminating the need for external pre-trained or jointly trained regressors. It achieves state-of-the-art point estimation performance by leveraging intrinsic output diversity and improving mean squared error accuracy through multiple inference ensembling. Key innovations, including normalization independence and the median-of-means estimator, further enhance adaptability and stability. Extensive experiments demonstrate that SimDiff significantly outperforms existing methods in time series point forecasting.
Authors: Yingjia Shang, Yi Liu, Huimin Wang, Furong Li, Wenfang Sun, Wu Chengyu, Yefeng Zheng
Abstract: With the rapid advancement of retrieval-augmented vision-language models, multimodal medical retrieval-augmented generation (MMed-RAG) systems are increasingly adopted in clinical decision support. These systems enhance medical applications by performing cross-modal retrieval to integrate relevant visual and textual evidence for tasks, e.g., report generation and disease diagnosis. However, their complex architecture also introduces underexplored adversarial vulnerabilities, particularly via visual input perturbations. In this paper, we propose Medusa, a novel framework for crafting cross-modal transferable adversarial attacks on MMed-RAG systems under a black-box setting. Specifically, Medusa formulates the attack as a perturbation optimization problem, leveraging a multi-positive InfoNCE loss (MPIL) to align adversarial visual embeddings with medically plausible but malicious textual targets, thereby hijacking the retrieval process. To enhance transferability, we adopt a surrogate model ensemble and design a dual-loop optimization strategy augmented with invariant risk minimization (IRM). Extensive experiments on two real-world medical tasks, including medical report generation and disease diagnosis, demonstrate that Medusa achieves over 90% average attack success rate across various generation models and retrievers under appropriate parameter configuration, while remaining robust against four mainstream defenses, outperforming state-of-the-art baselines. Our results reveal critical vulnerabilities in the MMed-RAG systems and highlight the necessity of robustness benchmarking in safety-critical medical applications. The code and data are available at https://anonymous.4open.science/r/MMed-RAG-Attack-F05A.
URLs: https://anonymous.4open.science/r/MMed-RAG-Attack-F05A.
Authors: Przemyslaw Chojecki
Abstract: We develop a moduli-theoretic view of psychometric test batteries for AI agents and connect it explicitly to the AAI score developed previously. First, we make precise the notion of an AAI functional on a battery and set out axioms that any reasonable autonomy/general intelligence score should satisfy. Second, we show that the composite index ('AAI-Index') defined previously is a special case of our AAI functional. Third, we introduce the notion of a cognitive core of an agent relative to a battery and define the associated AAI$_{\textrm{core}}$ score as the restriction of an AAI functional to that core. Finally, we use these notions to describe invariants of batteries under evaluation-preserving symmetries and outline how moduli of equivalent batteries are organized.
Authors: Eichi Uehara
Abstract: This document proposes a Unified Robust Framework that re-engineers the estimation of the Average Treatment Effect on the Overlap (ATO). It synthesizes gamma-Divergence for outlier robustness, Graduated Non-Convexity (GNC) for global optimization, and a "Gatekeeper" mechanism to address the impossibility of higher-order orthogonality in Gaussian regimes.
Authors: Sreejith Sreekumar, Ziv Goldfeld, Mark M. Wilde
Abstract: Estimating quantum entropies and divergences is an important problem in quantum physics, information theory, and machine learning. Quantum neural estimators (QNEs), which utilize a hybrid classical-quantum architecture, have recently emerged as an appealing computational framework for estimating these measures. Such estimators combine classical neural networks with parametrized quantum circuits, and their deployment typically entails tedious tuning of hyperparameters controlling the sample size, network architecture, and circuit topology. This work initiates the study of formal guarantees for QNEs of measured (R\'enyi) relative entropies in the form of non-asymptotic error risk bounds. We further establish exponential tail bounds showing that the error is sub-Gaussian, and thus sharply concentrates about the ground truth value. For an appropriate sub-class of density operator pairs on a space of dimension $d$ with bounded Thompson metric, our theory establishes a copy complexity of $O(|\Theta(\mathcal{U})|d/\epsilon^2)$ for QNE with a quantum circuit parameter set $\Theta(\mathcal{U})$, which has minimax optimal dependence on the accuracy $\epsilon$. Additionally, if the density operator pairs are permutation invariant, we improve the dimension dependence above to $O(|\Theta(\mathcal{U})|\mathrm{polylog}(d)/\epsilon^2)$. Our theory aims to facilitate principled implementation of QNEs for measured relative entropies and guide hyperparameter tuning in practice.
Authors: Oliver Knitter, Jonathan Mei, Masako Yamada, Martin Roetteler
Abstract: TorchQuantumDistributed (tqd) is a PyTorch-based [Paszke et al., 2019] library for accelerator-agnostic differentiable quantum state vector simulation at scale. This enables studying the behavior of learnable parameterized near-term and fault- tolerant quantum circuits with high qubit counts.
Authors: Jiayi Zhang, Yiran Peng, Fanqi Kong, Yang Cheng, Yifan Wu, Zhaoyang Yu, Jinyu Xiang, Jianhao Ruan, Jinlin Wang, Maojia Song, HongZhang Liu, Xiangru Tang, Bang Liu, Chenglin Wu, Yuyu Luo
Abstract: Humans naturally adapt to diverse environments by learning underlying rules across worlds with different dynamics, observations, and reward structures. In contrast, existing agents typically demonstrate improvements via self-evolving within a single domain, implicitly assuming a fixed environment distribution. Cross-environment learning has remained largely unmeasured: there is no standard collection of controllable, heterogeneous environments, nor a unified way to represent how agents learn. We address these gaps in two steps. First, we propose AutoEnv, an automated framework that treats environments as factorizable distributions over transitions, observations, and rewards, enabling low-cost (4.12 USD on average) generation of heterogeneous worlds. Using AutoEnv, we construct AutoEnv-36, a dataset of 36 environments with 358 validated levels, on which seven language models achieve 12-49% normalized reward, demonstrating the challenge of AutoEnv-36. Second, we formalize agent learning as a component-centric process driven by three stages of Selection, Optimization, and Evaluation applied to an improvable agent component. Using this formulation, we design eight learning methods and evaluate them on AutoEnv-36. Empirically, the gain of any single learning method quickly decrease as the number of environments increases, revealing that fixed learning methods do not scale across heterogeneous environments. Environment-adaptive selection of learning methods substantially improves performance but exhibits diminishing returns as the method space expands. These results highlight both the necessity and the current limitations of agent learning for scalable cross-environment generalization, and position AutoEnv and AutoEnv-36 as a testbed for studying cross-environment agent learning. The code is avaiable at https://github.com/FoundationAgents/AutoEnv.
Authors: Jaewoo Lee, Archiki Prasad, Justin Chih-Yao Chen, Zaid Khan, Elias Stengel-Eskin, Mohit Bansal
Abstract: Information-seeking is a core capability for AI agents, requiring them to gather and reason over tool-generated information across long trajectories. However, such multi-step information-seeking tasks remain challenging for agents backed by language models. While process reward models (PRMs) can guide agents by ranking candidate steps at test-time, existing PRMs, designed for short reasoning with binary judgment, cannot capture richer dimensions of information-seeking steps, such as tool interactions and reasoning over tool outputs, nor handle the rapidly growing context in long-horizon tasks. To address these limitations, we introduce PRInTS, a generative PRM trained with dual capabilities: (1) dense scoring based on the PRM's reasoning across multiple step quality dimensions (e.g., interpretation of tool outputs, tool call informativeness) and (2) trajectory summarization that compresses the growing context while preserving essential information for step evaluation. Extensive evaluations across FRAMES, GAIA (levels 1-3), and WebWalkerQA (easy-hard) benchmarks on multiple models, along with ablations, reveal that best-of-n sampling with PRInTS enhances information-seeking abilities of open-source models as well as specialized agents, matching or surpassing the performance of frontier models with a much smaller backbone agent and outperforming other strong reward modeling baselines.
Authors: Changjun Cheng, Daniel Persaud, Kangming Li, Michael J. Moorehead, Natalie Page, Christian Lavoie, Beatriz Diaz Moreno, Adrien Couet, Samuel E Lofland, Jason Hattrick-Simpers
Abstract: High-throughput methods enable accelerated discovery of novel materials in complex systems such as high-entropy alloys, which exhibit intricate phase stability across vast compositional spaces. Computational approaches, including Density Functional Theory (DFT) and calculation of phase diagrams (CALPHAD), facilitate screening of phase formability as a function of composition and temperature. However, the integration of computational predictions with experimental validation remains challenging in high-throughput studies. In this work, we introduce a quantitative confidence metric to assess the agreement between predictions and experimental observations, providing a quantitative measure of the confidence of machine learning models trained on either DFT or CALPHAD input in accounting for experimental evidence. The experimental dataset was generated via high-throughput in-situ synchrotron X-ray diffraction on compositionally varied FeNiMnCr alloy libraries, heated from room temperature to ~1000 {\deg}C. Agreement between the observed and predicted phases was evaluated using either temperature-independent phase classification or a model that incorporates a temperature-dependent probability of phase formation. This integrated approach demonstrates where strong overall agreement between computation and experiment exists, while also identifying key discrepancies, particularly in FCC/BCC predictions at Mn-rich regions to inform future model refinement.
Authors: Hongyi Wang, Xiuli Zheng, Weimin Liu, Zitian Tang, Sheng Gong
Abstract: The discovery of high-performance photosensitizers has long been hindered by the time-consuming and resource-intensive nature of traditional trial-and-error approaches. Here, we present \textbf{A}I-\textbf{A}ccelerated \textbf{P}hoto\textbf{S}ensitizer \textbf{I}nnovation (AAPSI), a closed-loop workflow that integrates expert knowledge, scaffold-based molecule generation, and Bayesian optimization to accelerate the design of novel photosensitizers. The scaffold-driven generation in AAPSI ensures structural novelty and synthetic feasibility, while the iterative AI-experiment loop accelerates the discovery of novel photosensitizers. AAPSI leverages a curated database of 102,534 photosensitizer-solvent pairs and generate 6,148 synthetically accessible candidates. These candidates are screened via graph transformers trained to predict singlet oxygen quantum yield ($\phi_\Delta$) and absorption maxima ($\lambda_{max}$), following experimental validation. This work generates several novel candidates for photodynamic therapy (PDT), among which the hypocrellin-based candidate HB4Ph exhibits exceptional performance at the Pareto frontier of high quantum yield of singlet oxygen and long absorption maxima among current photosensitizers ($\phi_\Delta$=0.85, $\lambda_{max}$=650nm).
Authors: Ilias Diakonikolas, Daniel M. Kane, Sihan Liu, Thanasis Pittas
Abstract: This work studies information-computation gaps for statistical problems. A common approach for providing evidence of such gaps is to show sample complexity lower bounds (that are stronger than the information-theoretic optimum) against natural models of computation. A popular such model in the literature is the family of low-degree polynomial tests. While these tests are defined in such a way that make them easy to analyze, the class of algorithms that they rule out is somewhat restricted. An important goal in this context has been to obtain lower bounds against the stronger and more natural class of low-degree Polynomial Threshold Function (PTF) tests, i.e., any test that can be expressed as comparing some low-degree polynomial of the data to a threshold. Proving lower bounds against PTF tests has turned out to be challenging. Indeed, we are not aware of any non-trivial PTF testing lower bounds in the literature. In this paper, we establish the first non-trivial PTF testing lower bounds for a range of statistical tasks. Specifically, we prove a near-optimal PTF testing lower bound for Non-Gaussian Component Analysis (NGCA). Our NGCA lower bound implies similar lower bounds for a number of other statistical problems. Our proof leverages a connection to recent work on pseudorandom generators for PTFs and recent techniques developed in that context. At the technical level, we develop several tools of independent interest, including novel structural results for analyzing the behavior of low-degree polynomials restricted to random directions.
Authors: Rulin Shao, Akari Asai, Shannon Zejiang Shen, Hamish Ivison, Varsha Kishore, Jingming Zhuo, Xinran Zhao, Molly Park, Samuel G. Finlayson, David Sontag, Tyler Murray, Sewon Min, Pradeep Dasigi, Luca Soldaini, Faeze Brahman, Wen-tau Yih, Tongshuang Wu, Luke Zettlemoyer, Yoon Kim, Hannaneh Hajishirzi, Pang Wei Koh
Abstract: Deep research models perform multi-step research to produce long-form, well-attributed answers. However, most open deep research models are trained on easily verifiable short-form QA tasks via reinforcement learning with verifiable rewards (RLVR), which does not extend to realistic long-form tasks. We address this with Reinforcement Learning with Evolving Rubrics (RLER), in which we construct and maintain rubrics that co-evolve with the policy model during training; this allows the rubrics to incorporate information that the model has newly explored and to provide discriminative, on-policy feedback. Using RLER, we develop Deep Research Tulu (DR Tulu-8B), the first open model that is directly trained for open-ended, long-form deep research. Across four long-form deep research benchmarks in science, healthcare and general domains, DR Tulu substantially outperforms existing open deep research models, and matches or exceeds proprietary deep research systems, while being significantly smaller and cheaper per query. To facilitate future research, we release all data, models, and code, including our new MCP-based agent infrastructure for deep research systems.
Authors: Zikai Shen, Zonghao Chen, Dimitri Meunier, Ingo Steinwart, Arthur Gretton, Zhu Li
Abstract: We study the problem of nonparametric instrumental variable regression with observed covariates, which we refer to as NPIV-O. Compared with standard nonparametric instrumental variable regression (NPIV), the additional observed covariates facilitate causal identification and enables heterogeneous causal effect estimation. However, the presence of observed covariates introduces two challenges for its theoretical analysis. First, it induces a partial identity structure, which renders previous NPIV analyses - based on measures of ill-posedness, stability conditions, or link conditions - inapplicable. Second, it imposes anisotropic smoothness on the structural function. To address the first challenge, we introduce a novel Fourier measure of partial smoothing; for the second challenge, we extend the existing kernel 2SLS instrumental variable algorithm with observed covariates, termed KIV-O, to incorporate Gaussian kernel lengthscales adaptive to the anisotropic smoothness. We prove upper $L^2$-learning rates for KIV-O and the first $L^2$-minimax lower learning rates for NPIV-O. Both rates interpolate between known optimal rates of NPIV and nonparametric regression (NPR). Interestingly, we identify a gap between our upper and lower bounds, which arises from the choice of kernel lengthscales tuned to minimize a projected risk. Our theoretical analysis also applies to proximal causal inference, an emerging framework for causal effect estimation that shares the same conditional moment restriction as NPIV-O.
Authors: James Y. Huang, Sheng Zhang, Qianchu Liu, Guanghui Qin, Tinghui Zhu, Tristan Naumann, Muhao Chen, Hoifung Poon
Abstract: Large Language Models (LLMs) have demonstrated remarkable capabilities in challenging, knowledge-intensive reasoning tasks. However, extending LLMs to perceive and reason over a new modality (e.g., vision), often requires costly development of large-scale vision language models (VLMs) with LLMs as backbones. Smaller VLMs are more efficient and adaptable but often lack the broad knowledge and reasoning capabilities of frontier LLMs. In this work, we propose BeMyEyes, a modular, multi-agent framework for extending LLMs to multimodal reasoning by orchestrating collaboration between efficient, adaptable VLMs as perceivers and powerful LLMs as reasoners through conversations. We then introduce a data synthesis and supervised fine-tuning pipeline to train the perceiver agent to effectively collaborate with the reasoner agent. By combining the complementary strengths of perception and reasoning agents, BeMyEyes avoids the need for training large-scale multimodal models, preserves the generalization and reasoning capabilities of LLMs, and allows flexible extension to new domains and modalities. Experiments show that our framework unlocks the multimodal reasoning capabilities for LLMs, enabling a lightweight and fully open-source solution, i.e. equipping text-only DeepSeek-R1 with Qwen2.5-VL-7B perceiver, to outperform large-scale proprietary VLMs such as GPT-4o on a wide range of knowledge-intensive multimodal tasks. These results demonstrate the effectiveness, modularity, and scalability of our multi-agent approach for building future multimodal reasoning systems.
Authors: Yiming Qin, Bomin Wei, Jiaxin Ge, Konstantinos Kallidromitis, Stephanie Fu, Trevor Darrell, Xudong Wang
Abstract: Vision-Language Models (VLMs) excel at reasoning in linguistic space but struggle with perceptual understanding that requires dense visual perception, e.g., spatial reasoning and geometric awareness. This limitation stems from the fact that current VLMs have limited mechanisms to capture dense visual information across spatial dimensions. We introduce Chain-of-Visual-Thought (COVT), a framework that enables VLMs to reason not only in words but also through continuous visual tokens-compact latent representations that encode rich perceptual cues. Within a small budget of roughly 20 tokens, COVT distills knowledge from lightweight vision experts, capturing complementary properties such as 2D appearance, 3D geometry, spatial layout, and edge structure. During training, the VLM with COVT autoregressively predicts these visual tokens to reconstruct dense supervision signals (e.g., depth, segmentation, edges, and DINO features). At inference, the model reasons directly in the continuous visual token space, preserving efficiency while optionally decoding dense predictions for interpretability. Evaluated across more than ten diverse perception benchmarks, including CV-Bench, MMVP, RealWorldQA, MMStar, WorldMedQA, and HRBench, integrating COVT into strong VLMs such as Qwen2.5-VL and LLaVA consistently improves performance by 3% to 16% and demonstrates that compact continuous visual thinking enables more precise, grounded, and interpretable multimodal intelligence.
Authors: Yasin Esfandiari, Stefan Bauer, Sebastian U. Stich, Andrea Dittadi
Abstract: Diffusion models for image generation often exhibit a trade-off between perceptual sample quality and data likelihood: training objectives emphasizing high-noise denoising steps yield realistic images but poor likelihoods, whereas likelihood-oriented training overweights low-noise steps and harms visual fidelity. We introduce a simple plug-and-play sampling method that combines two pretrained diffusion experts by switching between them along the denoising trajectory. Specifically, we apply an image-quality expert at high noise levels to shape global structure, then switch to a likelihood expert at low noise levels to refine pixel statistics. The approach requires no retraining or fine-tuning -- only the choice of an intermediate switching step. On CIFAR-10 and ImageNet32, the merged model consistently matches or outperforms its base components, improving or preserving both likelihood and sample quality relative to each expert alone. These results demonstrate that expert switching across noise levels is an effective way to break the likelihood-quality trade-off in image diffusion models.
Authors: Qiang Wang, Xinyuan Gao, SongLin Dong, Jizhou Han, Jiangyang Li, Yuhang He, Yihong Gong
Abstract: We present VDC-Agent, a self-evolving framework for Video Detailed Captioning that requires neither human annotations nor larger teacher models. The agent forms a closed loop of caption generation, principle-guided scoring (score and textual suggestions), and prompt refinement. When caption quality regresses, a self-reflection path leverages the previous chain-of-thought to amend the update. Running this process on unlabeled videos produces trajectories of (caption, score) pairs. We convert the trajectories into preference tuples and filter out samples with JSON parsing errors, resulting in VDC-Agent-19K, which contains 18,886 automatically constructed pairs. We then fine-tune the base MLLM on this dataset using an easy-to-hard curriculum direct preference optimization. Built on Qwen2.5-VL-7B-Instruct, our VDC-Agent-7B attains state-of-the-art performance on the VDC benchmark with 49.08% average accuracy and 2.50 score, surpassing specialized video captioners and improving over the base model by +5.13% accuracy and +0.27 score at similar inference cost.
Authors: Daniel Bogdoll, Jasmin Breitenstein, Florian Heidecker, Maarten Bieshaar, Bernhard Sick, Tim Fingscheidt, J. Marius Z\"ollner
Abstract: Scaling the distribution of automated vehicles requires handling various unexpected and possibly dangerous situations, termed corner cases (CC). Since many modules of automated driving systems are based on machine learning (ML), CC are an essential part of the data for their development. However, there is only a limited amount of CC data in large-scale data collections, which makes them challenging in the context of ML. With a better understanding of CC, offline applications, e.g., dataset analysis, and online methods, e.g., improved performance of automated driving systems, can be improved. While there are knowledge-based descriptions and taxonomies for CC, there is little research on machine-interpretable descriptions. In this extended abstract, we will give a brief overview of the challenges and goals of such a description.
Authors: Daniel Bogdoll, Johannes Jestram, Jonas Rauch, Christin Scheib, Moritz Wittig, J. Marius Z\"ollner
Abstract: In the foreseeable future, autonomous vehicles will require human assistance in situations they can not resolve on their own. In such scenarios, remote assistance from a human can provide the required input for the vehicle to continue its operation. Typical sensors used in autonomous vehicles include camera and lidar sensors. Due to the massive volume of sensor data that must be sent in real-time, highly efficient data compression is elementary to prevent an overload of network infrastructure. Sensor data compression using deep generative neural networks has been shown to outperform traditional compression approaches for both image and lidar data, regarding compression rate as well as reconstruction quality. However, there is a lack of research about the performance of generative-neural-network-based compression algorithms for remote assistance. In order to gain insights into the feasibility of deep generative models for usage in remote assistance, we evaluate state-of-the-art algorithms regarding their applicability and identify potential weaknesses. Further, we implement an online pipeline for processing sensor data and demonstrate its performance for remote assistance using the CARLA simulator.
Authors: Alaeddine Zahir, Khalide Jbilou, Ahmed Ratnani
Abstract: Multi-view clustering has been widely used in recent years in comparison to single-view clustering, for clear reasons, as it offers more insights into the data, which has brought with it some challenges, such as how to combine these views or features. Most of recent work in this field focuses mainly on tensor representation instead of treating the data as simple matrices. This permits to deal with the high-order correlation between the data which the based matrix approach struggles to capture. Accordingly, we will examine and compare these approaches, particularly in two categories, namely graph-based clustering and subspace-based clustering. We will conduct and report experiments of the main clustering methods over a benchmark datasets.
Authors: Van-Duc Le, Tien-Cuong Bui, Wen-Syan Li
Abstract: An end-to-end machine learning (ML) lifecycle consists of many iterative processes, from data preparation and ML model design to model training and then deploying the trained model for inference. When building an end-to-end lifecycle for an ML problem, many ML pipelines must be designed and executed that produce a huge number of lifecycle versions. Therefore, this paper introduces VeML, a Version management system dedicated to end-to-end ML Lifecycle. Our system tackles several crucial problems that other systems have not solved. First, we address the high cost of building an ML lifecycle, especially for large-scale and high-dimensional dataset. We solve this problem by proposing to transfer the lifecycle of similar datasets managed in our system to the new training data. We design an algorithm based on the core set to compute similarity for large-scale, high-dimensional data efficiently. Another critical issue is the model accuracy degradation by the difference between training data and testing data during the ML lifetime, which leads to lifecycle rebuild. Our system helps to detect this mismatch without getting labeled data from testing data and rebuild the ML lifecycle for a new data version. To demonstrate our contributions, we conduct experiments on real-world, large-scale datasets of driving images and spatiotemporal sensor data and show promising results.
Authors: Marwa El Halabi, Federico Fusco, Ashkan Norouzi-Fard, Jakab Tardos, Jakub Tarnawski
Abstract: Streaming submodular maximization is a natural model for the task of selecting a representative subset from a large-scale dataset. If datapoints have sensitive attributes such as gender or race, it becomes important to enforce fairness to avoid bias and discrimination. This has spurred significant interest in developing fair machine learning algorithms. Recently, such algorithms have been developed for monotone submodular maximization under a cardinality constraint. In this paper, we study the natural generalization of this problem to a matroid constraint. We give streaming algorithms as well as impossibility results that provide trade-offs between efficiency, quality and fairness. We validate our findings empirically on a range of well-known real-world applications: exemplar-based clustering, movie recommendation, and maximum coverage in social networks.
Authors: Shengzhu Shi, Yao Li, Zhichang Guo, Boying Wu, Yang Zhao
Abstract: Physics-informed neural networks (PINNs) have shown great promise in solving partial differential equations (PDEs). However, vanilla PINNs often face challenges when solving complex PDEs, especially those involving multi-scale behaviors or solutions with sharp or oscillatory characteristics. To precisely and adaptively locate the critical regions that fail in the solving process we propose a sampling strategy grounded in white-box adversarial attacks, referred to as WbAR. WbAR search for failure regions in the direction of the loss gradient, thus directly locating the most critical positions. WbAR generates adversarial samples in a random walk manner and iteratively refines PINNs to guide the model's focus towards dynamically updated critical regions during training. We implement WbAR to the elliptic equation with multi-scale coefficients, Poisson equation with multi-peak solutions, high-dimensional Poisson equations, and Burgers equation with sharp solutions. The results demonstrate that WbAR can effectively locate and reduce failure regions. Moreover, WbAR is suitable for solving complex PDEs, since locating failure regions through adversarial attacks is independent of the size of failure regions or the complexity of the distribution.
Authors: Xiao Liu, Mingyuan Li, Guangsheng Yu, Lixiang Li, Haipeng Peng, Ren Ping Liu
Abstract: Unlearning is challenging in generic learning frameworks with the continuous growth and updates of models exhibiting complex inheritance relationships. This paper presents a novel unlearning framework that enables fully parallel unlearning among models exhibiting inheritance. We use a chronologically Directed Acyclic Graph (DAG) to capture various unlearning scenarios occurring in model inheritance networks. Central to our framework is the Fisher Inheritance Unlearning (FIUn) method, designed to enable efficient parallel unlearning within the DAG. FIUn utilizes the Fisher Information Matrix (FIM) to assess the significance of model parameters for unlearning tasks and adjusts them accordingly. To handle multiple unlearning requests simultaneously, we propose the Merging-FIM (MFIM) function, which consolidates FIMs from multiple upstream models into a unified matrix. This design supports all unlearning scenarios captured by the DAG, enabling one-shot removal of inherited knowledge while significantly reducing computational overhead. Experiments confirm the effectiveness of our unlearning framework. For single-class tasks, it achieves complete unlearning with 0% accuracy for unlearned labels while maintaining 94.53% accuracy for retained labels. For multi-class tasks, the accuracy is 1.07% for unlearned labels and 84.77% for retained labels. Our framework accelerates unlearning by 99% compared to alternative methods. Code is in https://github.com/MJLee00/Parallel-Unlearning-in-Inherited-Model-Networks.
URLs: https://github.com/MJLee00/Parallel-Unlearning-in-Inherited-Model-Networks.
Authors: Micha{\l} Bortkiewicz, W{\l}adys{\l}aw Pa{\l}ucki, Vivek Myers, Tadeusz Dziarmaga, Tomasz Arczewski, {\L}ukasz Kuci\'nski, Benjamin Eysenbach
Abstract: Self-supervision has the potential to transform reinforcement learning (RL), paralleling the breakthroughs it has enabled in other areas of machine learning. While self-supervised learning in other domains aims to find patterns in a fixed dataset, self-supervised goal-conditioned reinforcement learning (GCRL) agents discover new behaviors by learning from the goals achieved during unstructured interaction with the environment. However, these methods have failed to see similar success, both due to a lack of data from slow environment simulations as well as a lack of stable algorithms. We take a step toward addressing both of these issues by releasing a high-performance codebase and benchmark (JaxGCRL) for self-supervised GCRL, enabling researchers to train agents for millions of environment steps in minutes on a single GPU. By utilizing GPU-accelerated replay buffers, environments, and a stable contrastive RL algorithm, we reduce training time by up to $22\times$. Additionally, we assess key design choices in contrastive RL, identifying those that most effectively stabilize and enhance training performance. With this approach, we provide a foundation for future research in self-supervised GCRL, enabling researchers to quickly iterate on new ideas and evaluate them in diverse and challenging environments. Website + Code: https://github.com/MichalBortkiewicz/JaxGCRL
Authors: Xiaochun Niu, Lili Su, Jiaming Xu, Pengkun Yang
Abstract: Collaborative learning through latent shared feature representations enables heterogeneous clients to train personalized models with improved performance and reduced sample complexity. Despite empirical success and extensive study, the theoretical understanding of such methods remains incomplete, even for representations restricted to low-dimensional linear subspaces. In this work, we establish new upper and lower bounds on the statistical error in learning low-dimensional shared representations across clients. Our analysis captures both statistical heterogeneity (including covariate and concept shifts) and variation in local dataset sizes, aspects often overlooked in prior work. We further extend these results to nonlinear models including logistic regression and one-hidden-layer ReLU networks. Specifically, we design a spectral estimator that leverages independent replicas of local averages to approximate the non-convex least-squares solution and derive a nearly matching minimax lower bound. Our estimator achieves the optimal statistical rate when the shared representation is well covered across clients -- i.e., when no direction is severely underrepresented. Our results reveal two distinct phases of the optimal rate: a standard parameter-counting regime and a penalized regime when the number of clients is large or local datasets are small. These findings precisely characterize when collaboration benefits the overall system or individual clients in transfer learning and private fine-tuning.
Authors: Yibo Zhong, Haoxiang Jiang, Lincan Li, Ryumei Nakada, Tianci Liu, Linjun Zhang, Huaxiu Yao, Haoyu Wang
Abstract: Fine-tuning large pre-trained foundation models often yields excellent downstream performance but is prohibitively expensive when updating all parameters. Parameter-efficient fine-tuning (PEFT) methods such as LoRA alleviate this by introducing lightweight update modules, yet they commonly rely on weight-agnostic linear approximations, limiting their expressiveness. In this work, we propose PEANuT, a novel PEFT framework that introduces weight-aware neural tweakers, compact neural modules that generate task-adaptive updates conditioned on frozen pre-trained weights. PEANuT provides a flexible yet efficient way to capture complex update patterns without full model tuning. We theoretically show that PEANuT achieves equivalent or greater expressivity than existing linear PEFT methods with comparable or fewer parameters. Extensive experiments across four benchmarks with over twenty datasets demonstrate that PEANuT consistently outperforms strong baselines in both NLP and vision tasks, while maintaining low computational overhead.
Authors: Meng Ding, Rohan Sharma, Changyou Chen, Jinhui Xu, Kaiyi Ji
Abstract: Machine Unlearning has emerged as a significant area of research, focusing on `removing' specific subsets of data from a trained model. Fine-tuning (FT) methods have become one of the fundamental approaches for approximating unlearning, as they effectively retain model performance. However, it is consistently observed that naive FT methods struggle to forget the targeted data. In this paper, we present the first theoretical analysis of FT methods for machine unlearning within a linear regression framework, providing a deeper exploration of this phenomenon. Our analysis reveals that while FT models can achieve zero remaining loss, they fail to forget the forgetting data, as the pretrained model retains its influence and the fine-tuning process does not adequately mitigate it. To address this, we propose a novel Retention-Based Masking (RBM) strategy that constructs a weight saliency map based on the remaining dataset, unlike existing methods that focus on the forgetting dataset. Our theoretical analysis demonstrates that RBM not only significantly improves unlearning accuracy (UA) but also ensures higher retaining accuracy (RA) by preserving overlapping features shared between the forgetting and remaining datasets. Experiments on synthetic and real-world datasets validate our theoretical insights, showing that RBM outperforms existing masking approaches in balancing UA, RA, and disparity metrics.
Authors: David D. Baek, Yuxiao Li, Max Tegmark
Abstract: Motivated by interpretability and reliability, we investigate whether large language models (LLMs) deploy universal geometric structures to encode discrete, graph-structured knowledge. To this end, we present two complementary experimental evidence that might support universality of graph representations. First, on an in-context genealogy Q&A task, we train a cone probe to isolate a tree-like subspace in residual stream activations and use activation patching to verify its causal effect in answering related questions. We validate our findings across five different models. Second, we conduct model stitching experiments across models of diverse architectures and parameter counts (OPT, Pythia, Mistral, and LLaMA, 410 million to 8 billion parameters), quantifying representational alignment via relative degradation in the next-token prediction loss. Generally, we conclude that the lack of ground truth representations of graphs makes it challenging to study how LLMs represent them. Ultimately, improving our understanding of LLM representations could facilitate the development of more interpretable, robust, and controllable AI systems.
Authors: Addison Kristanto Julistiono, Davoud Ataee Tarzanagh, Navid Azizan
Abstract: Attention mechanisms have revolutionized several domains of artificial intelligence, such as natural language processing and computer vision, by enabling models to selectively focus on relevant parts of the input data. While recent work has characterized the optimization dynamics of gradient descent (GD) in attention-based models and the structural properties of its preferred solutions, less is known about more general optimization algorithms such as mirror descent (MD). In this paper, we investigate the convergence properties and implicit biases of a family of MD algorithms tailored for softmax attention mechanisms, with the potential function chosen as the $p$-th power of the $\ell_p$-norm. Specifically, we show that these algorithms converge in direction to a generalized hard-margin SVM with an $\ell_p$-norm objective when applied to a classification problem using a softmax attention model. Notably, our theoretical results reveal that the convergence rate is comparable to that of traditional GD in simpler models, despite the highly nonlinear and nonconvex nature of the present problem. Additionally, we delve into the joint optimization dynamics of the key-query matrix and the decoder, establishing conditions under which this complex joint optimization converges to their respective hard-margin SVM solutions. Lastly, our numerical experiments on real data demonstrate that MD algorithms improve generalization over standard GD and excel in optimal token selection.
Authors: Youngjoon Lee, Jinu Gong, Joonhyuk Kang
Abstract: Federated learning enables edge devices to collaboratively train a global model while maintaining data privacy by keeping data localized. However, the Non-IID nature of data distribution across devices often hinders model convergence and reduces performance. In this paper, we propose a novel plugin for federated optimization methods that approximates Non-IID data distributions to IID through generative AI-enhanced data augmentation and balanced sampling strategy. The key idea is to synthesize additional data for underrepresented classes on each edge device, leveraging generative AI to create a more balanced dataset across the FL network. Additionally, a balanced sampling approach at the central server selectively includes only the most IID-like devices, accelerating convergence while maximizing the global model's performance. Experimental results validate that our approach significantly improves convergence speed and robustness against data imbalance, establishing a flexible, privacy-preserving FL plugin that is applicable even in data-scarce environments.
Authors: Dennis Wei, Inkit Padhi, Soumya Ghosh, Amit Dhurandhar, Karthikeyan Natesan Ramamurthy, Maria Chang
Abstract: Training data attribution (TDA) is concerned with understanding model behavior in terms of the training data. This paper draws attention to the common setting where one has access only to the final trained model, and not the training algorithm or intermediate information from training. We reframe the problem in this "final-model-only" setting as one of measuring sensitivity of the model to training instances. To operationalize this reframing, we propose further training, with appropriate adjustment and averaging, as a gold standard method to measure sensitivity. We then unify existing gradient-based methods for TDA by showing that they all approximate the further training gold standard in different ways. We investigate empirically the quality of these gradient-based approximations to further training, for tabular, image, and text datasets and models. We find that the approximation quality of first-order methods is sometimes high but decays with the amount of further training. In contrast, the approximations given by influence function methods are more stable but surprisingly lower in quality.
Authors: Ting Bai, Yue Yu, Le Huang, Zenan Xu, Chuan Shi
Abstract: The sparse Mixture-of-Experts (MoE) architecture of large language models (LLMs) confronts an inherent issue of load imbalance arising from the simplistic linear router strategy, which ultimately causes the instability and inefficient learning of LLMs. To address this challenge, we introduce a novel MoE graph-based framework $\textbf{GMoE}$, aimed at enhancing the collaboration among multiple experts. In GMoE, a graph router function is designed to capture the collaboration signals among experts. This enables all experts to dynamically allocate information derived from input data by sharing information with their neighboring experts. Moreover, we put forward two coordination strategies in GMoE: the $\textit{Poisson distribution-based distinction strategy}$ and the $\textit{Normal distribution-based balance strategy}$, to further release the capacity of each expert and increase the model stability in the fine-tuning of LLMs. Specifically, we leverage a parameter-efficient fine-tuning technique, i.e., Low-Rank Adaptation (LoRA), to implement the graph MoE architecture. Extensive experiments on four real-world benchmark datasets demonstrate the effectiveness of GMoE, showing the benefits of facilitating collaborations of multiple experts in LLM fine-tuning. The code of experimental implementation is available at https://github.com/BAI-LAB/GMoE
Authors: Mingkang Wu, Devin White, Vernon Lawhern, Nicholas R. Waytowich, Yongcan Cao
Abstract: Reinforcement learning (RL), a common tool in decision making, learns control policies from various experiences based on the associated cumulative return/rewards without treating them differently. Humans, on the contrary, often learn to distinguish from discrete levels of performance and extract the underlying insights/information (beyond reward signals) towards their decision optimization. For instance, when learning to play tennis, a human player does not treat all unsuccessful attempts equally. Missing the ball completely signals a more severe mistake than hitting it out of bounds (although the cumulative rewards can be similar for both cases). Learning effectively from multi-level experiences is essential in human decision making. This motivates us to develop a novel multi-level RL method that learns from multi-level experiences via extracting multi-level information. At the low level of information extraction, we utilized the existing rating-based reinforcement learning to infer inherent reward signals that illustrate the value of states or state-action pairs accordingly. At the high level of information extraction, we propose to extract important directional information from different-level experiences so that policies can be updated towards desired deviation from these different levels of experiences. Specifically, we propose a new policy loss function that penalizes distribution similarities between the current policy and different-level experiences, and assigns different weights to the penalty terms based on the performance levels. Furthermore, the integration of the two levels towards multi-level RL guides the agent toward policy improvements that benefit both reward improvement and policy improvement, hence yielding a similar learning mechanism as humans.
Authors: Youngjoon Lee, Taehyun Park, Yunho Lee, Jinu Gong, Joonhyuk Kang
Abstract: Federated Learning (FL) is increasingly being adopted in military collaborations to develop Large Language Models (LLMs) while preserving data sovereignty. However, prompt injection attacks-malicious manipulations of input prompts-pose new threats that may undermine operational security, disrupt decision-making, and erode trust among allies. This perspective paper highlights four vulnerabilities in federated military LLMs: secret data leakage, free-rider exploitation, system disruption, and misinformation spread. To address these risks, we propose a human-AI collaborative framework with both technical and policy countermeasures. On the technical side, our framework uses red/blue team wargaming and quality assurance to detect and mitigate adversarial behaviors of shared LLM weights. On the policy side, it promotes joint AI-human policy development and verification of security protocols.
Authors: Hamed Poursiami, Ayana Moshruba, Maryam Parsa
Abstract: As machine learning models become integral to security-sensitive applications, concerns over data leakage from adversarial attacks continue to rise. Model Inversion (MI) attacks pose a significant privacy threat by enabling adversaries to reconstruct training data from model outputs. While MI attacks on Artificial Neural Networks (ANNs) have been widely studied, Spiking Neural Networks (SNNs) remain largely unexplored in this context. Due to their event-driven and discrete computations, SNNs introduce fundamental differences in information processing that may offer inherent resistance to such attacks. A critical yet underexplored aspect of this threat lies in black-box settings, where attackers operate through queries without direct access to model parameters or gradients-representing a more realistic adversarial scenario in deployed systems. This work presents the first study of black-box MI attacks on SNNs. We adapt a generative adversarial MI framework to the spiking domain by incorporating rate-based encoding for input transformation and decoding mechanisms for output interpretation. Our results show that SNNs exhibit significantly greater resistance to MI attacks than ANNs, as demonstrated by degraded reconstructions, increased instability in attack convergence, and overall reduced attack effectiveness across multiple evaluation metrics. Further analysis suggests that the discrete and temporally distributed nature of SNN decision boundaries disrupts surrogate modeling, limiting the attacker's ability to approximate the target model.
Authors: Niccol\`o Ajroldi, Antonio Orvieto, Jonas Geiping
Abstract: Averaging checkpoints along the training trajectory is a simple yet powerful approach to improve the generalization performance of Machine Learning models and reduce training time. Motivated by these potential gains, and in an effort to fairly and thoroughly benchmark this technique, we present an extensive evaluation of averaging techniques in modern Deep Learning, which we perform using AlgoPerf \citep{dahl_benchmarking_2023}, a large-scale benchmark for optimization algorithms. We investigate whether weight averaging can reduce training time, improve generalization, and replace learning rate decay, as suggested by recent literature. Our evaluation across seven architectures and datasets reveals that averaging significantly accelerates training and yields considerable efficiency gains, at the price of a minimal implementation and memory cost, while mildly improving generalization across all considered workloads. Finally, we explore the relationship between averaging and learning rate annealing and show how to optimally combine the two to achieve the best performances.
Authors: Xiaoyu Yang, Jie Lu, En Yu, Wei Duan
Abstract: The remarkable success of large-scale contrastive pre-training has been largely driven by by vast yet static datasets. However, as the scaling paradigm evolves, this paradigm encounters a fundamental challenge when applied to dynamic data streams characterized by concept drift - unpredictable changes in the underlying data distribution. This paper aims to advance robust pre-training under such non-stationary environments. We begin by revealing that conventional contrastive pre-training methods are highly susceptible to concept drift, resulting in significant substantial bias and instability within the learned feature representations. To systematically analyze these effects, we develop a structural causal model that elucidates how drift acts as a confounder, distorting the learned representations. Based on these causal insights, we propose Resilient Contrastive Pre-training (RCP), a novel method that incorporates causal intervention. RCP formulates a causally-informed objective to mitigate drift-induced biases through targeted interventions. The method is designed for simple and scalable implementation and exhibits notable adaptability, promoting robust and autonomous pre-training on non-stationary data. Comprehensive experiments across various downstream tasks consistently demonstrate that RCP effectively alleviates the detrimental impact of concept drift, yielding more resilient and generalizable representations.
Authors: Vittoria Vineis, Giuseppe Perelli, Gabriele Tolomei
Abstract: Conventional automated decision-support systems often prioritize predictive accuracy, overlooking the complexities of real-world settings where stakeholders' preferences may diverge or conflict. This can lead to outcomes that disadvantage vulnerable groups and erode trust in algorithmic processes. Participatory AI approaches aim to address these issues but remain largely context-specific, limiting their broader applicability and scalability. To address these gaps, we propose a participatory framework that reframes decision-making as a multi-stakeholder learning and optimization problem. Our modular, model-agnostic approach builds on the standard machine learning training pipeline to fine-tune user-provided prediction models and evaluate decision strategies, including compromise functions that mediate stakeholder trade-offs. A synthetic scoring mechanism aggregates user-defined preferences across multiple metrics, ranking strategies and selecting an optimal decision-maker to generate actionable recommendations that jointly optimize performance, fairness, and domain-specific goals. Empirical validation on two high-stakes case studies demonstrates the versatility of the framework and its promise as a more accountable, context-aware alternative to prediction-centric pipelines for socially impactful deployments.
Authors: Sachini Weerasekara, Sagar Kamarthi, Jacqueline Isaacs
Abstract: Predicting medical events in advance within critical care settings is paramount for patient outcomes and resource management. Utilizing predictive models, healthcare providers can anticipate issues such as cardiac arrest, sepsis, or respiratory failure before they manifest. Recently, there has been a surge in research focusing on forecasting adverse medical event onsets prior to clinical manifestation using machine learning. However, while these models provide temporal prognostic predictions for the occurrence of a specific adverse event of interest within defined time intervals, their interpretability often remains a challenge. In this work, we explore the applicability of neural temporal point processes in the context of adverse event onset prediction, with the aim of explaining clinical pathways and providing interpretable insights. Our experiments span six state-of-the-art neural point processes and six critical care datasets, each focusing on the onset of distinct adverse events. This work represents a novel application class of neural temporal point processes in event prediction.
Authors: Shane Bergsma, Nolan Dey, Gurpreet Gosal, Gavia Gray, Daria Soboleva, Joel Hestness
Abstract: LLMs are commonly trained with a learning rate (LR) warmup, followed by cosine decay to 10% of the maximum (10x decay). In a large-scale empirical study, we show that under an optimal peak LR, a simple linear decay-to-zero (D2Z) schedule consistently outperforms other schedules when training at compute-optimal dataset sizes. D2Z is superior across a range of model sizes, batch sizes, datasets, and vocabularies. Benefits increase as dataset size increases. Leveraging a novel interpretation of AdamW as an exponential moving average of weight updates, we show how linear D2Z optimally balances the demands of early training (moving away from initial conditions) and late training (averaging over more updates in order to mitigate gradient noise). In experiments, a 610M-parameter model trained for 80 tokens-per-parameter (TPP) using D2Z achieves lower loss than when trained for 200 TPP using 10x decay, corresponding to an astonishing 60% compute savings. Models such as Llama2-7B, trained for 286 TPP with 10x decay, could likely have saved a majority of compute by training with D2Z.
Authors: Giovanni De Felice, Arianna Casanova Flores, Francesco De Santis, Silvia Santini, Johannes Schneider, Pietro Barbiero, Alberto Termine
Abstract: Concept-based models are an emerging paradigm in deep learning that constrains the inference process to operate through human-interpretable variables, facilitating explainability and human interaction. However, these architectures, on par with popular opaque neural models, fail to account for the true causal mechanisms underlying the target phenomena represented in the data. This hampers their ability to support causal reasoning tasks, limits out-of-distribution generalization, and hinders the implementation of fairness constraints. To overcome these issues, we propose Causally reliable Concept Bottleneck Models (C$^2$BMs), a class of concept-based architectures that enforce reasoning through a bottleneck of concepts structured according to a model of the real-world causal mechanisms. We also introduce a pipeline to automatically learn this structure from observational data and unstructured background knowledge (e.g., scientific literature). Experimental evidence suggests that C$^2$BMs are more interpretable, causally reliable, and improve responsiveness to interventions w.r.t. standard opaque and concept-based models, while maintaining their accuracy.
Authors: Yao Cheng, Yibo Zhao, Jiapeng Zhu, Yao Liu, Xing Sun, Xiang Li
Abstract: Large Language Models (LLMs) have demonstrated significant potential across various domains. However, they often struggle with integrating external knowledge and performing complex reasoning, leading to hallucinations and unreliable outputs. Retrieval Augmented Generation (RAG) has emerged as a promising paradigm to mitigate these issues by incorporating external knowledge. Yet, conventional RAG approaches, especially those based on vector similarity, fail to effectively capture relational dependencies and support multi-step reasoning. In this work, we propose CogGRAG, a human cognition-inspired, graph-based RAG framework designed for Knowledge Graph Question Answering (KGQA). CogGRAG models the reasoning process as a tree-structured mind map that decomposes the original problem into interrelated subproblems and explicitly encodes their semantic relationships. This structure not only provides a global view to guide subsequent retrieval and reasoning but also enables self-consistent verification across reasoning paths. The framework operates in three stages: (1) top-down problem decomposition via mind map construction, (2) structured retrieval of both local and global knowledge from external Knowledge Graphs (KGs), and (3) bottom-up reasoning with dual-process self-verification. Unlike previous tree-based decomposition methods such as MindMap or Graph-CoT, CogGRAG unifies problem decomposition, knowledge retrieval, and reasoning under a single graph-structured cognitive framework, allowing early integration of relational knowledge and adaptive verification. Extensive experiments demonstrate that CogGRAG achieves superior accuracy and reliability compared to existing methods.
Authors: Kevin Wang, Ishaan Javali, Micha{\l} Bortkiewicz, Tomasz Trzci\'nski, Benjamin Eysenbach
Abstract: Scaling up self-supervised learning has driven breakthroughs in language and vision, yet comparable progress has remained elusive in reinforcement learning (RL). In this paper, we study building blocks for self-supervised RL that unlock substantial improvements in scalability, with network depth serving as a critical factor. Whereas most RL papers in recent years have relied on shallow architectures (around 2 - 5 layers), we demonstrate that increasing the depth up to 1024 layers can significantly boost performance. Our experiments are conducted in an unsupervised goal-conditioned setting, where no demonstrations or rewards are provided, so an agent must explore (from scratch) and learn how to maximize the likelihood of reaching commanded goals. Evaluated on simulated locomotion and manipulation tasks, our approach increases performance on the self-supervised contrastive RL algorithm by $2\times$ - $50\times$, outperforming other goal-conditioned baselines. Increasing the model depth not only increases success rates but also qualitatively changes the behaviors learned. The project webpage and code can be found here: https://wang-kevin3290.github.io/scaling-crl/.
Authors: Ehsan Mirafzali, Utkarsh Gupta, Patrick Wyrod, Frank Proske, Daniele Venturi, Razvan Marinescu
Abstract: We introduce a new framework based on Malliavin calculus to derive exact analytical expressions for the score function $\nabla \log p_t(x)$, i.e., the gradient of the log-density associated with the solution to stochastic differential equations (SDEs). Our approach combines classical integration-by-parts techniques with modern stochastic analysis tools, such as Bismut's formula and Malliavin calculus, and it works for both linear and nonlinear SDEs. In doing so, we establish a rigorous connection between the Malliavin derivative, its adjoint, the Malliavin divergence (Skorokhod integral), and diffusion generative models, thereby providing a systematic method for computing $\nabla \log p_t(x)$. In the linear case, we present a detailed analysis showing that our formula coincides with the analytical score function derived from the solution of the Fokker--Planck equation. For nonlinear SDEs with state-independent diffusion coefficients, we derive a closed-form expression for $\nabla \log p_t(x)$. We evaluate the proposed framework across multiple generative tasks and find that its performance is comparable to state-of-the-art methods. These results can be generalised to broader classes of SDEs, paving the way for new score-based diffusion generative models.
Authors: Jan Niklas B\"ohm, Marius Keute, Alica Guzm\'an, Sebastian Damrich, Andrew Draganov, Dmitry Kobak
Abstract: Node embeddings are a paradigm in non-parametric graph representation learning, where graph nodes are embedded into a given vector space to enable downstream processing. State-of-the-art node-embedding algorithms, such as DeepWalk and node2vec, are based on random-walk notions of node similarity and on contrastive learning. In this work, we introduce the graph neighbor-embedding (graph NE) framework that directly pulls together embedding vectors of adjacent nodes without relying on any random walks. We show that graph NE strongly outperforms state-of-the-art node-embedding algorithms in terms of local structure preservation. Furthermore, we apply graph NE to the 2D node-embedding problem, obtaining graph t-SNE layouts that also outperform existing graph-layout algorithms.
Authors: Bongsoo Yi, Yue Kang, Yao Li
Abstract: The Lipschitz bandit is a key variant of stochastic bandit problems where the expected reward function satisfies a Lipschitz condition with respect to an arm metric space. With its wide-ranging practical applications, various Lipschitz bandit algorithms have been developed, achieving the cumulative regret lower bound of order $\tilde O(T^{(d_z+1)/(d_z+2)})$ over time horizon $T$. Motivated by recent advancements in quantum computing and the demonstrated success of quantum Monte Carlo in simpler bandit settings, we introduce the first quantum Lipschitz bandit algorithms to address the challenges of continuous action spaces and non-linear reward functions. Specifically, we first leverage the elimination-based framework to propose an efficient quantum Lipschitz bandit algorithm named Q-LAE. Next, we present novel modifications to the classical Zooming algorithm, which results in a simple quantum Lipschitz bandit method, Q-Zooming. Both algorithms exploit the computational power of quantum methods to achieve an improved regret bound of $\tilde O(T^{d_z/(d_z+1)})$. Comprehensive experiments further validate our improved theoretical findings, demonstrating superior empirical performance compared to existing Lipschitz bandit methods.
Authors: Nischal Mainali, Lucas Teixeira
Abstract: Transformer models exhibit remarkable in-context learning (ICL), adapting to novel tasks from examples within their context, yet the underlying mechanisms remain largely mysterious. Here, we provide an exact analytical characterization of ICL emergence by deriving the closed-form stochastic gradient descent (SGD) dynamics for a simplified linear transformer performing regression tasks. Our analysis reveals key properties: (1) a natural separation of timescales directly governed by the input data's covariance structure, leading to staged learning; (2) an exact description of how ICL develops, including fixed points corresponding to learned algorithms and conservation laws constraining the dynamics; and (3) surprisingly nonlinear learning behavior despite the model's linearity. We hypothesize this phenomenology extends to non-linear models. To test this, we introduce theory-inspired macroscopic measures (spectral rank dynamics, subspace stability) and use them to provide mechanistic explanations for (1) the sudden emergence of ICL in attention-only networks and (2) delayed generalization (grokking) in modular arithmetic models. Our work offers an exact dynamical model for ICL and theoretically grounded tools for analyzing complex transformer training.
Authors: Dejan Stancevic, Florian Handke, Luca Ambrogioni
Abstract: The practical performance of generative diffusion models depends on the appropriate choice of the noise scheduling function, which can also be equivalently expressed as a time reparameterization. In this paper, we present a time scheduler that selects sampling points based on entropy rather than uniform time spacing, ensuring that each point contributes an equal amount of information to the final generation. We prove that this time reparameterization does not depend on the initial choice of time. Furthermore, we provide a tractable exact formula to estimate this \emph{entropic time} for a trained model using the training loss without substantial overhead. Alongside the entropic time, inspired by the optimality results, we introduce a rescaled entropic time. In our experiments with mixtures of Gaussian distributions and ImageNet, we show that using the (rescaled) entropic times greatly improves the inference performance of trained models. In particular, we found that the image quality in pretrained EDM2 models, as evaluated by FID and FD-DINO scores, can be substantially increased by the rescaled entropic time reparameterization without increasing the number of function evaluations, with greater improvements in the few NFEs regime. Code is available at https://github.com/DejanStancevic/Entropic-Time-Schedulers-for-Generative-Diffusion-Models.
URLs: https://github.com/DejanStancevic/Entropic-Time-Schedulers-for-Generative-Diffusion-Models.
Authors: Huchen Yang, Xinghao Dong, Jin-Long Wu
Abstract: Bayesian experimental design (BED) offers a principled framework for optimizing data acquisition by leveraging probabilistic inference. However, practical implementations of BED are often compromised by model discrepancy, i.e., the mismatch between predictive models and true physical systems, which can potentially lead to biased parameter estimates. While data-driven approaches have been recently explored to characterize the model discrepancy, the resulting high-dimensional parameter space poses severe challenges for both Bayesian updating and design optimization. In this work, we propose a hybrid BED framework enabled by auto-differentiable ensemble Kalman inversion (AD-EKI) that addresses these challenges by providing a computationally efficient, gradient-free alternative to estimate the information gain for high-dimensional network parameters. The AD-EKI allows a differentiable evaluation of the utility function in BED and thus facilitates the use of standard gradient-based methods for design optimization. In the proposed hybrid framework, we iteratively optimize experimental designs, decoupling the inference of low-dimensional physical parameters handled by standard BED methods, from the high-dimensional model discrepancy handled by AD-EKI. The identified optimal designs for the model discrepancy enable us to systematically collect informative data for its calibration. The performance of the proposed method is studied by a classical convection-diffusion BED example, and the hybrid framework enabled by AD-EKI efficiently identifies informative data to calibrate the model discrepancy and robustly infers the unknown physical parameters in the modeled system. Besides addressing the challenges of BED with model discrepancy, AD-EKI also potentially fosters efficient and scalable frameworks in many other areas with bilevel optimization, such as meta-learning and structure optimization.
Authors: Akira Tamamori
Abstract: Kernel-based learning methods such as Kernel Logistic Regression (KLR) can substantially increase the storage capacity of Hopfield networks, but the principles governing their performance and stability remain largely uncharacterized. This paper presents a comprehensive quantitative analysis of the attractor landscape in KLR-trained networks to establish a solid foundation for their design and application. Through extensive, statistically validated simulations, we address critical questions of generality, scalability, and robustness. Our comparative analysis shows that KLR and Kernel Ridge Regression (KRR) exhibit similarly high storage capacities and clean attractor landscapes under typical operating conditions, suggesting that this behavior is a general property of kernel regression methods, although KRR is computationally much faster. We identify a non-trivial, scale-dependent law for the kernel width $\gamma$, demonstrating that optimal capacity requires $\gamma$ to be scaled such that $\gamma N$ increases with network size $N$. This finding implies that larger networks require more localized kernels, in which each pattern's influence is more spatially confined, to mitigate inter-pattern interference. Under this optimized scaling, we provide clear evidence that storage capacity scales linearly with network size~($P \propto N$). Furthermore, our sensitivity analysis shows that performance is remarkably robust with respect to the choice of the regularization parameter $\lambda$. Collectively, these findings provide a concise set of empirical principles for designing high-capacity and robust associative memories and clarify the mechanisms that enable kernel methods to overcome the classical limitations of Hopfield-type models.
Authors: Zihao Chen, Wenyong Wang, Jiachen Yang, Yu Xiang
Abstract: Geometric representation learning in preserving the intrinsic geometric and topological properties for discrete non-Euclidean data is crucial in scientific applications. Previous research generally mapped non-Euclidean discrete data into Euclidean space during representation learning, which may lead to the loss of some critical geometric information. In this paper, we propose a novel Isometric Immersion Kernel Learning (IIKL) method to build Riemannian manifold and isometrically induce Riemannian metric from discrete non-Euclidean data. We prove that Isometric immersion is equivalent to the kernel function in the tangent bundle on the manifold, which explicitly guarantees the invariance of the inner product between vectors in the arbitrary tangent space throughout the learning process, thus maintaining the geometric structure of the original data. Moreover, a novel parameterized learning model based on IIKL is introduced, and an alternating training method for this model is derived using Maximum Likelihood Estimation (MLE), ensuring efficient convergence. Experimental results proved that using the learned Riemannian manifold and its metric, our model preserved the intrinsic geometric representation of data in both 3D and high-dimensional datasets successfully, and significantly improved the accuracy of downstream tasks, such as data reconstruction and classification. It is showed that our method could reduce the inner product invariant loss by more than 90% compared to state-of-the-art (SOTA) methods, also achieved an average 40% improvement in downstream reconstruction accuracy and a 90% reduction in error for geometric metrics involving isometric and conformal.
Authors: Dazhuo Qiu, Haolai Che, Arijit Khan, Yinghui Wu
Abstract: Inference queries have been routinely issued to graph machine learning models such as graph neural networks (GNNs) for various network analytical tasks. Nevertheless, GNN outputs are often hard to interpret comprehensively. Existing methods typically conform to individual pre-defined explainability measures (such as fidelity), which often leads to biased, ``one-side'' interpretations. This paper introduces skyline explanation, a new paradigm that interprets GNN outputs by simultaneously optimizing multiple explainability measures of users' interests. (1) We propose skyline explanations as a Pareto set of explanatory subgraphs that dominate others over multiple explanatory measures. We formulate skyline explanation as a multi-criteria optimization problem, and establish its hardness results. (2) We design efficient algorithms with an onion-peeling approach, which strategically prioritizes nodes and removes unpromising edges to incrementally assemble skyline explanations. (3) We also develop an algorithm to diversify the skyline explanations to enrich the comprehensive interpretation. (4) We introduce efficient parallel algorithms with load-balancing strategies to scale skyline explanation for large-scale GNN-based inference. Using real-world and synthetic graphs, we experimentally verify our algorithms' effectiveness and scalability.
Authors: Jeffrey Willette, Heejun Lee, Sung Ju Hwang
Abstract: The attention mechanism of a transformer has a quadratic complexity, leading to high inference costs and latency for long sequences. However, attention matrices are mostly sparse, which implies that many entries may be omitted from computation for efficient inference. Sparse attention inference methods aim to reduce this computational burden; however, they also come with a troublesome performance degradation. We discover that one reason for this degradation is that the sparse calculation induces a distributional shift in the attention outputs. The distributional shift causes decoding-time queries to fail to align well with the appropriate keys from the prefill stage, leading to a drop in performance. We propose a simple, novel, and effective procedure for correcting this distributional shift, bringing the distribution of sparse attention outputs closer to that of quadratic attention. Our method can be applied on top of any sparse attention method, and results in an average 36%pt performance increase, recovering 88% of quadratic attention accuracy on the 131K RULER benchmark when applied on top of sliding window attention with sink tokens while only adding a small overhead. Our method can maintain approximately 98.5% sparsity over full quadratic attention, making our model 32 times faster than Flash Attention 2 when processing 1M token prefills.
Authors: Xiaotian Zhang, Yue Shang, Entao Yang, Ge Zhang
Abstract: Understanding neural network's (NN) generalizability remains a central question in deep learning research. The special phenomenon of grokking, where NNs abruptly generalize long after the training performance reaches a near-perfect level, offers a unique window to investigate the underlying mechanisms of NNs' generalizability. Here we propose an interpretation for grokking by framing it as a computational glass relaxation: viewing NNs as a physical system where parameters are the degrees of freedom and train loss is the system energy, we find memorization process resembles a rapid cooling of liquid into non-equilibrium glassy state at low temperature and the later generalization is like a slow relaxation towards a more stable configuration. This mapping enables us to sample NNs' Boltzmann entropy (states of density) landscape as a function of training loss and test accuracy. Our experiments in transformers on arithmetic tasks suggests that there is NO entropy barrier in the memorization-to-generalization transition of grokking, challenging previous theory that defines grokking as a first-order phase transition. We identify a high-entropy advantage under grokking, an extension of prior work linking entropy to generalizability but much more significant. Inspired by grokking's far-from-equilibrium nature, we develop a toy optimizer WanD based on Wang-landau molecular dynamics, which can eliminate grokking without any constraints and find high-norm generalizing solutions. This provides strictly-defined counterexamples to theory attributing grokking solely to weight norm evolution towards the Goldilocks zone and also suggests new potential ways for optimizer design.
Authors: Zheng Wu, Pengzhou Cheng, Zongru Wu, Lingzhong Dong, Zhuosheng Zhang
Abstract: Graphical user interface (GUI) agents have recently emerged as an intriguing paradigm for human-computer interaction, capable of automatically executing user instructions to operate intelligent terminal devices. However, when encountering out-of-distribution (OOD) instructions that violate environmental constraints or exceed the current capabilities of agents, GUI agents may suffer task breakdowns or even pose security threats. Therefore, effective OOD detection for GUI agents is essential. Traditional OOD detection methods perform suboptimally in this domain due to the complex embedding space and evolving GUI environments. In this work, we observe that the in-distribution input semantic space of GUI agents exhibits a clustering pattern with respect to the distance from the centroid. Based on the finding, we propose GEM, a novel method based on fitting a Gaussian mixture model over input embedding distances extracted from the GUI agent that reflect its capability boundary. Evaluated on eight datasets spanning smartphones, computers, and web browsers, our method achieves an average accuracy improvement of 23.70\% over the best-performing baseline while only increasing training time by 4.9\% and testing time by 6.5\%. We also experimentally demonstrate that GEM can improve the step-wise success rate by 9.40\% by requesting assistance from the cloud model when encountering OOD samples. Analysis verifies the generalization ability of our method through experiments on nine different backbones. The codes are available at https://github.com/Wuzheng02/GEM-OODforGUIagents.
Authors: Felix Dangel, Tim Siebert, Marius Zeinhofer, Andrea Walther
Abstract: Computing partial differential equation (PDE) operators via nested backpropagation is expensive, yet popular, and severely restricts their utility for scientific machine learning. Recent advances, like the forward Laplacian and randomizing Taylor mode automatic differentiation (AD), propose forward schemes to address this. We introduce an optimization technique for Taylor mode that 'collapses' derivatives by rewriting the computational graph, and demonstrate how to apply it to general linear PDE operators, and randomized Taylor mode. The modifications simply require propagating a sum up the computational graph, which could -- or should -- be done by a machine learning compiler, without exposing complexity to users. We implement our collapsing procedure and evaluate it on popular PDE operators, confirming it accelerates Taylor mode and outperforms nested backpropagation.
Authors: Shane Bergsma, Nolan Dey, Gurpreet Gosal, Gavia Gray, Daria Soboleva, Joel Hestness
Abstract: Efficient LLM pre-training requires well-tuned hyperparameters (HPs), including learning rate $\eta$ and weight decay $\lambda$. We study scaling laws for HPs: formulas for how to scale HPs as we scale model size N, dataset size D, and batch size B. Recent work suggests the AdamW timescale, $\tau = B/(\eta \lambda D)$, should remain constant across training settings, and we verify the implication that optimal $\lambda$ scales linearly with B, for a fixed N and D. However, as N and D scale, we show optimal $\tau$ obeys a precise power law in the tokens-per-parameter ratio, D/N. This law thus provides a method to accurately predict $\lambda$opt in advance of large-scale training. We also study scaling laws for optimal batch size Bopt (the B enabling lowest loss at a given N,D) and critical batch size Bcrit (the B beyond which further data parallelism becomes ineffective). In contrast to prior work, we find both Bopt and Bcrit scale as power laws in D, independent of model size, N. Finally, we analyze how these findings inform the real-world selection of Pareto-optimal N and D under dual training time and compute objectives. All experiments were run on Cerebras CS-3 systems.
Authors: Karthik Valmeekam, Kaya Stechly, Vardhan Palod, Atharva Gundawar, Subbarao Kambhampati
Abstract: Recent impressive results from large reasoning models have been interpreted as a triumph of Chain of Thought (CoT), especially of training on CoTs sampled from base LLMs to help find new reasoning patterns. While these traces certainly seem to help model performance, it is not clear how they actually influence it, with some works ascribing semantics to the traces and others cautioning against relying on them as transparent and faithful proxies of the model's internal computational process. To systematically investigate the role of end-user semantics of derivational traces, we set up a controlled study where we train transformer models from scratch on formally verifiable reasoning traces and the solutions they lead to. We notice that, despite significant gains over the solution-only baseline, models trained on entirely correct traces can still produce invalid reasoning traces even when arriving at correct solutions. More interestingly, our experiments also show that models trained on corrupted traces, whose intermediate reasoning steps bear no relation to the problem they accompany, perform similarly to those trained on correct ones, and even generalize better on out-of-distribution tasks. We also study the effect of GRPO-based RL post-training on trace validity, noting that while solution accuracy increase, this is not accompanied by any improvements in trace validity. Finally, we examine whether reasoning-trace length reflects inference-time scaling and find that trace length is largely agnostic to the underlying computational complexity of the problem being solved. These results challenge the assumption that intermediate tokens or ``Chains of Thought'' reflect or induce predictable reasoning behaviors and caution against anthropomorphizing such outputs or over-interpreting them (despite their mostly seemingly forms) as evidence of human-like or algorithmic behaviors in language models.
Authors: Bingguang Hao, Maolin Wang, Zengzhuang Xu, Cunyin Peng, Yicheng Chen, Xiangyu Zhao, Jinjie Gu, Chenyi Zhuang
Abstract: The integration of large language models (LLMs) with function calling has emerged as a crucial capability for enhancing their practical utility in real-world applications. However, effectively combining reasoning processes with accurate function execution remains a significant challenge. Traditional training approaches often struggle to balance the detailed reasoning steps with the precision of function calls, leading to suboptimal performance. To address these limitations, we introduce FunReason, a novel framework that enhances LLMs' function calling capabilities through an automated data refinement strategy and a Self-Refinement Multiscale Loss (SRML) approach. FunReason leverages LLMs' natural reasoning abilities to generate high-quality training examples, focusing on query parseability, reasoning coherence, and function call precision. The SRML approach dynamically balances the contribution of reasoning processes and function call accuracy during training, addressing the inherent trade-off between these two critical aspects. FunReason achieves performance comparable to GPT-4o while effectively mitigating catastrophic forgetting during fine-tuning. FunReason provides a comprehensive solution for enhancing LLMs' function calling capabilities by introducing a balanced training methodology and a data refinement pipeline. For code and dataset, please refer to our repository at GitHub https://github.com/BingguangHao/FunReason
Authors: Tingting Zhang, Sergiy A. Vorobyov, David J. Love, Taejoon Kim, Kai Dong
Abstract: Optimization-based power control algorithms are predominantly iterative with high computational complexity, making them impractical for real-time applications in cell-free massive multiple-input multiple-output (CFmMIMO) systems. Learning-based methods have emerged as a promising alternative, and among them, graph neural networks (GNNs) have demonstrated their excellent performance in solving power control problems. However, all existing GNN-based approaches assume ideal orthogonality among pilot sequences for user equipments (UEs), which is unrealistic given that the number of UEs exceeds the available orthogonal pilot sequences in CFmMIMO schemes. Moreover, most learning-based methods assume a fixed number of UEs, whereas the number of active UEs varies over time in practice. Additionally, supervised training necessitates costly computational resources for computing the target power control solutions for a large volume of training samples. To address these issues, we propose a graph attention network for downlink power control in CFmMIMO systems that operates in a self-supervised manner while effectively handling pilot contamination and adapting to a dynamic number of UEs. Experimental results show its effectiveness, even in comparison to the optimal accelerated projected gradient method as a baseline.
Authors: Benjamin Dadoun, Soufiane Hayou, Hanan Salam, Mohamed El Amine Seddik, Pierre Youssef
Abstract: Deep neural networks are known to suffer from exploding or vanishing gradients as depth increases, a phenomenon closely tied to the spectral behavior of the input-output Jacobian. Prior work has identified critical initialization schemes that ensure Jacobian stability, but these analyses are typically restricted to fully connected networks with i.i.d. weights. In this work, we go significantly beyond these limitations: we establish a general stability theorem for deep neural networks that accommodates sparsity (such as that introduced by pruning) and non-i.i.d., weakly correlated weights (e.g. induced by training). Our results rely on recent advances in random matrix theory, and provide rigorous guarantees for spectral stability in a much broader class of network models. This extends the theoretical foundation for initialization schemes in modern neural networks with structured and dependent randomness.
Authors: Shuai Wang, Zhenhua Liu, Jiaheng Wei, Xuanwu Yin, Dong Li, Emad Barsoum
Abstract: We present Athena-PRM, a multimodal process reward model (PRM) designed to evaluate the reward score for each step in solving complex reasoning problems. Developing high-performance PRMs typically demands significant time and financial investment, primarily due to the necessity for step-level annotations of reasoning steps. Conventional automated labeling methods, such as Monte Carlo estimation, often produce noisy labels and incur substantial computational costs. To efficiently generate high-quality process-labeled data, we propose leveraging prediction consistency between weak and strong completers as a criterion for identifying reliable process labels. Remarkably, Athena-PRM demonstrates outstanding effectiveness across various scenarios and benchmarks with just 5,000 samples. Furthermore, we also develop two effective strategies to improve the performance of PRMs: ORM initialization and up-sampling for negative data. We validate our approach in three specific scenarios: verification for test time scaling, direct evaluation of reasoning step correctness, and reward ranked fine-tuning. Our Athena-PRM consistently achieves superior performance across multiple benchmarks and scenarios. Notably, when using Qwen2.5-VL-7B as the policy model, Athena-PRM enhances performance by 10.2 points on WeMath and 7.1 points on MathVista for test time scaling. Furthermore, Athena-PRM sets the state-of-the-art (SoTA) results in VisualProcessBench and outperforms the previous SoTA by 3.9 F1-score, showcasing its robust capability to accurately assess the correctness of the reasoning step. Additionally, utilizing Athena-PRM as the reward model, we develop Athena-7B with reward ranked fine-tuning and outperforms baseline with a significant margin on five benchmarks.
Authors: Alexey Yermakov, David Zoro, Mars Liyao Gao, J. Nathan Kutz
Abstract: SHallow REcurrent Decoders (SHRED) are effective for system identification and forecasting from sparse sensor measurements. Such models are light-weight and computationally efficient, allowing them to be trained on consumer laptops. SHRED-based models rely on Recurrent Neural Networks (RNNs) and a simple Multi-Layer Perceptron (MLP) for the temporal encoding and spatial decoding respectively. Despite the relatively simple structure of SHRED, they are able to predict chaotic dynamical systems on different physical, spatial, and temporal scales directly from a sparse set of sensor measurements. In this work, we modify SHRED by leveraging transformers (T-SHRED) embedded with symbolic regression for the temporal encoding, circumventing auto-regressive long-term forecasting for physical data. This is achieved through a new sparse identification of nonlinear dynamics (SINDy) attention mechanism into T-SHRED to impose sparsity regularization on the latent space, which also allows for immediate symbolic interpretation. Symbolic regression improves model interpretability by learning and regularizing the dynamics of the latent space during training. We analyze the performance of T-SHRED on three different dynamical systems ranging from low-data to high-data regimes.
Authors: Qianru Zhang, Honggang Wen, Ming Li, Dong Huang, Siu-Ming Yiu, Christian S. Jensen, Pietro Li\`o
Abstract: Time series forecasting requires architectures that simultaneously achieve three competing objectives: (1) strict temporal causality for reliable predictions, (2) sub-quadratic complexity for practical scalability, and (3) multi-scale pattern recognition for accurate long-horizon forecasting. We introduce AutoHFormer, a hierarchical autoregressive transformer that addresses these challenges through three key innovations: 1) Hierarchical Temporal Modeling: Our architecture decomposes predictions into segment-level blocks processed in parallel, followed by intra-segment sequential refinement. This dual-scale approach maintains temporal coherence while enabling efficient computation. 2) Dynamic Windowed Attention: The attention mechanism employs learnable causal windows with exponential decay, reducing complexity while preserving precise temporal relationships. This design avoids both the anti-causal violations of standard transformers and the sequential bottlenecks of RNN hybrids. 3) Adaptive Temporal Encoding: a novel position encoding system is adopted to capture time patterns at multiple scales. It combines fixed oscillating patterns for short-term variations with learnable decay rates for long-term trends. Comprehensive experiments demonstrate that AutoHFormer 10.76X faster training and 6.06X memory reduction compared to PatchTST on PEMS08, while maintaining consistent accuracy across 96-720 step horizons in most of cases. These breakthroughs establish new benchmarks for efficient and precise time series modeling. Implementations of our method and all baselines in hierarchical autoregressive mechanism are available at https://github.com/lizzyhku/Autotime.
Authors: Amber Hu, Henry Smith, Scott Linderman
Abstract: Latent stochastic differential equation (SDE) models are important tools for the unsupervised discovery of dynamical systems from data, with applications ranging from engineering to neuroscience. In these complex domains, exact posterior inference of the latent state path is typically intractable, motivating the use of approximate methods such as variational inference (VI). However, existing VI methods for inference in latent SDEs often suffer from slow convergence and numerical instability. We propose SDE Inference via Natural Gradients (SING), a method that leverages natural gradient VI to efficiently exploit the underlying geometry of the model and variational posterior. SING enables fast and reliable inference in latent SDE models by approximating intractable integrals and parallelizing computations in time. We provide theoretical guarantees that SING approximately optimizes the intractable, continuous-time objective of interest. Moreover, we demonstrate that better state inference enables more accurate estimation of nonlinear drift functions using, for example, Gaussian process SDE models. SING outperforms prior methods in state inference and drift estimation on a variety of datasets, including a challenging application to modeling neural dynamics in freely behaving animals. Altogether, our results illustrate the potential of SING as a tool for accurate inference in complex dynamical systems, especially those characterized by limited prior knowledge and non-conjugate structure.
Authors: Deepak Kumar Panda, Weisi Guo
Abstract: Autonomous UAV navigation using reinforcement learning (RL) is vulnerable to adversarial attacks that manipulate sensor inputs, potentially leading to unsafe behavior and mission failure. Although robust RL methods provide partial protection, they often struggle to generalize to unseen or out-of-distribution (OOD) attacks due to their reliance on fixed perturbation settings. To address this limitation, we propose a meta-policy switching framework in which a meta-level polic dynamically selects among multiple robust policies to counter unknown adversarial shifts. At the core of this framework lies a discounted Thompson sampling (DTS) mechanism that formulates policy selection as a multi-armed bandit problem, thereby minimizing value distribution shifts via self-induced adversarial observations. We first construct a diverse ensemble of action-robust policies trained under varying perturbation intensities. The DTS-based meta-policy then adaptively selects among these policies online, optimizing resilience against self-induced, piecewise-stationary attacks. Theoretical analysis shows that the DTS mechanism minimizes expected regret, ensuring adaptive robustness to OOD attacks and exhibiting emergent antifragile behavior under uncertainty. Extensive simulations in complex 3D obstacle environments under both white-box (Projected Gradient Descent) and black-box (GPS spoofing) attacks demonstrate significantly improved navigation efficiency and higher conflict free trajectory rates compared to standard robust and vanilla RL baselines, highlighting the practical security and dependability benefits of the proposed approach.
Authors: Taehwan Yoon, Bongjun Choi, Wesley De Neve
Abstract: Federated learning (FL) collaboratively trains artificial intelligence (AI) models to ensure user data privacy. Sharing only model updates generated from local training on client data with the server enhances user data privacy. However, model performance may suffer due to data and system heterogeneity among clients in FL scenarios. Previous studies have proposed model optimization, fine-tuning, and personalization to achieve improved model performance. Despite these efforts, models resulting from FL scenarios often exhibit catastrophic forgetting, which increases the communication and computational costs of clients for model optimization and raises energy consumption. To address these challenges, we propose a reference model-based fine-tuning method for federated learning that overcomes catastrophic forgetting in each round. Our method is derived from Bayesian parameter-efficient transfer learning and includes an proximal term. It employs a reference model that incorporates previous model parameters and reviews previous global features in the model optimization step to mitigate catastrophic forgetting. As a result, our method achieves higher model performance and lower communication and computational costs for clients than existing methods.
Authors: Ruihao Zhang, Mao chen, Fei Ye, Dandan Meng, Yixuan Huang, Xiao Liu
Abstract: T cell receptor (TCR) repertoires encode critical immunological signatures for autoimmune diseases, yet their clinical application remains limited by sequence sparsity and low witness rates. We developed EAMil, a multi-instance deep learning framework that leverages TCR sequencing data to diagnose systemic lupus erythematosus (SLE) and rheumatoid arthritis (RA) with exceptional accuracy. By integrating PrimeSeq feature extraction with ESMonehot encoding and enhanced gate attention mechanisms, our model achieved state-of-the-art performance with AUCs of 98.95% for SLE and 97.76% for RA. EAMil successfully identified disease-associated genes with over 90% concordance with established differential analyses and effectively distinguished disease-specific TCR genes. The model demonstrated robustness in classifying multiple disease categories, utilizing the SLEDAI score to stratify SLE patients by disease severity as well as to diagnose the site of damage in SLE patients, and effectively controlling for confounding factors such as age and gender. This interpretable framework for immune receptor analysis provides new insights for autoimmune disease detection and classification with broad potential clinical applications across immune-mediated conditions.
Authors: Qian Chen, Xianhao Chen, Kaibin Huang
Abstract: Mixture-of-Experts (MoE) models improve the scalability of large language models (LLMs) by activating only a small subset of relevant experts per input. However, the sheer number of expert networks in an MoE model introduces a significant storage burden for an edge device. To address this challenge, we consider a scenario where experts are dispersed across an edge network for distributed inference. Based on the popular Top-$K$ expert selection strategy, we formulate a latency minimization problem by optimizing expert caching on edge servers under storage constraints. When $K=1$, the problem reduces to a monotone submodular maximization problem with knapsack constraints, for which we design a greedy-based algorithm with a $(1 - 1/e)$-approximation guarantee. For the general case where $K \geq 1$, expert co-activation within the same MoE layer introduces non-submodularity, which renders greedy methods ineffective. To tackle this issue, we propose a successive greedy decomposition method to decompose the original problem into a series of subproblems, with each being solved by a dynamic programming approach. Furthermore, we design an accelerated algorithm based on the max-convolution technique to obtain the approximate solution with a provable guarantee in polynomial time. Simulation results on various MoE models demonstrate that our method significantly reduces inference latency compared to existing baselines.
Authors: Nawaf Alampara, Anagha Aneesh, Marti\~no R\'ios-Garc\'ia, Adrian Mirza, Mara Schilling-Wilhelmi, Ali Asghar Aghajani, Meiling Sun, Gordan Prastalo, Kevin Maik Jablonka
Abstract: Data-driven techniques have a large potential to transform and accelerate the chemical sciences. However, chemical sciences also pose the unique challenge of very diverse, small, fuzzy datasets that are difficult to leverage in conventional machine learning approaches. A new class of models, which can be summarized under the term general-purpose models (GPMs) such as large language models, has shown the ability to solve tasks they have not been directly trained on, and to flexibly operate with low amounts of data in different formats. In this review, we discuss fundamental building principles of GPMs and review recent and emerging applications of those models in the chemical sciences across the entire scientific process. While many of these applications are still in the prototype phase, we expect that the increasing interest in GPMs will make many of them mature in the coming years.
Authors: Vikas Dwivedi, Balaji Srinivasan, Monica Sigovan, Bruno Sixou
Abstract: Physics-informed machine learning frameworks such as Physics-Informed Neural Networks (PINNs) and Physics-Informed Extreme Learning Machines (PI-ELMs) have shown great promise for solving partial differential equations (PDEs) but struggle with localized sharp gradients and singularly perturbed regimes, PINNs due to spectral bias and PI-ELMs due to their single-shot, non-adaptive formulation. We propose the Kernel-Adaptive Physics-Informed Extreme Learning Machine (KAPI-ELM), which performs Bayesian optimization over a low-dimensional, physically interpretable hyperparameter space governing the distribution of Radial Basis Function (RBF) centers and widths. This converts high-dimensional weight optimization into a low-dimensional distributional search, enabling targeted kernel refinement in regions with sharp gradients while also improving baseline solutions in smooth-flow regimes by tuning RBF supports. KAPI-ELM is validated on benchmark forward and inverse problems (1D convection-diffusion and 2D Poisson) involving PDEs with sharp gradients. It accurately resolves steep layers, improves smooth-solution fidelity, and recovers physical parameters robustly, matching or surpassing advanced methods such as the extended Theory of Functional Connections (X-TFC) with nearly an order of magnitude fewer tunable parameters. An extension to nonlinear problems is demonstrated by a curriculum-based solution of the steady Navier-Stokes equations via successive linearizations, yielding stable solutions for benchmark lid-driven cavity flow up to Re=100. These results indicate that KAPI-ELM provides an efficient and unified approach for forward and inverse PDEs, particularly in challenging sharp-gradient regimes.
Authors: Marlen Neubert, Patrick Reiser, Frauke Gr\"ater, Pascal Friederich
Abstract: Hydrogen atom transfer (HAT) reactions are essential in many biological processes, such as radical migration in damaged proteins, but their mechanistic pathways remain incompletely understood. Simulating HAT is challenging due to the need for quantum chemical accuracy at biologically relevant scales; thus, neither classical force fields nor DFT-based molecular dynamics are applicable. Machine-learned potentials offer an alternative, able to learn potential energy surfaces (PESs) with near-quantum accuracy. However, training these models to generalize across diverse HAT configurations, especially at radical positions in proteins, requires tailored data generation and careful model selection. Here, we systematically generate HAT configurations in peptides to build large datasets using semiempirical methods and DFT. We benchmark three graph neural network architectures (SchNet, Allegro, and MACE) on their ability to learn HAT PESs and indirectly predict reaction barriers from energy predictions. MACE consistently outperforms the others in energy, force, and barrier prediction, achieving a mean absolute error of 1.13 kcal/mol on out-of-distribution DFT barrier predictions. Using molecular dynamics, we show our MACE potential is stable, reactive, and generalizes beyond training data to model HAT barriers in collagen I. This accuracy enables integration of ML potentials into large-scale collagen simulations to compute reaction rates from predicted barriers, advancing mechanistic understanding of HAT and radical migration in peptides. We analyze scaling laws, model transferability, and cost-performance trade-offs, and outline strategies for improvement by combining ML potentials with transition state search algorithms and active learning. Our approach is generalizable to other biomolecular systems, enabling quantum-accurate simulations of chemical reactivity in complex environments.
Authors: Chenqing Lin, Mostafa Hussien, Chengyao Yu, Bingyi Jing, Mohamed Cheriet, Osama Abdelrahman, Ruixing Ming
Abstract: Neural network pruning has been widely adopted to reduce the parameter scale of complex neural networks, enabling efficient deployment on resource-limited edge devices. Mainstream pruning methods typically adopt uniform pruning strategies, which tend to cause a substantial performance degradation under high sparsity levels. Recent studies focus on non-uniform layer-wise pruning, but such approaches typically depend on global architecture optimization, which is computational expensive and lacks flexibility. To address these limitations, this paper proposes a novel method named Flexible Automatic Identification and Removal (FAIR)-Pruner, which adaptively determines the sparsity levels of each layer and identifies the units to be pruned. The core of FAIR-Pruner lies in the introduction of a novel indicator, Tolerance of Differences (ToD), designed to balance the importance scores obtained from two complementary perspectives: the architecture-level (Utilization Score) and the task-level (Reconstruction Score). By controlling ToD at preset levels, FAIR-Pruner determines layer-specific thresholds and removes units whose Utilization Scores fall below the corresponding thresholds. Furthermore, by decoupling threshold determination from importance estimation, FAIR-Pruner allows users to flexibly obtain pruned models under varying pruning ratios. Extensive experiments demonstrate that FAIR-Pruner achieves state-of-the-art performance, maintaining higher accuracy even at high compression ratios. Moreover, the ToD based layer-wise pruning ratios can be directly applied to existing powerful importance measurements, thereby improving the performance under uniform-pruning.
Authors: Mirko Konstantin, Anirban Mukhopadhyay
Abstract: Federated learning (FL) enables collaborative model training across distributed clients while preserving data privacy by keeping data local. Traditional FL approaches rely on a centralized, star-shaped topology, where a central server aggregates model updates from clients. However, this architecture introduces several limitations, including a single point of failure, limited personalization, and poor robustness to distribution shifts or vulnerability to malfunctioning clients. Moreover, update selection in centralized FL often relies on low-level parameter differences, which can be unreliable when client data is not independent and identically distributed, and offer clients little control. In this work, we propose a decentralized, peer-to-peer (P2P) FL framework. It leverages the flexibility of the P2P topology to enable each client to identify and aggregate a personalized set of trustworthy and beneficial updates.This framework is the Local Inference Guided Aggregation for Heterogeneous Training Environments to Yield Enhancement Through Agreement and Regularization (LIGHTYEAR). Central to our method is an agreement score, computed on a local validation set, which quantifies the semantic alignment of incoming updates in the function space with respect to the clients reference model. Each client uses this score to select a tailored subset of updates and performs aggregation with a regularization term that further stabilizes the training. Our empirical evaluation across five datasets shows that the proposed approach consistently outperforms both, centralized baselines and existing P2P methods in terms of client-level performance, particularly under adversarial and heterogeneous conditions.
Authors: Alejandro Moreno R., Desale Fentaw, Samuel Palmer, Ra\'ul Salles de Padua, Ninad Dixit, Samuel Mugel, Roman Or\'us, Manuel Radons, Josef Menter, Ali Abedi
Abstract: Synthetic data generation is a key technique in modern artificial intelligence, addressing data scarcity, privacy constraints, and the need for diverse datasets in training robust models. In this work, we propose a method for generating privacy-preserving high-quality synthetic tabular data using Tensor Networks, specifically Matrix Product States (MPS). We benchmark the MPS-based generative model against state-of-the-art models such as CTGAN, VAE, and PrivBayes, focusing on both fidelity and privacy-preserving capabilities. To ensure differential privacy (DP), we integrate noise injection and gradient clipping during training, enabling privacy guarantees via R\'enyi Differential Privacy accounting. Across multiple metrics analyzing data fidelity and downstream machine learning task performance, our results show that MPS outperforms classical models, particularly under strict privacy constraints. This work highlights MPS as a promising tool for privacy-aware synthetic data generation. By combining the expressive power of tensor network representations with formal privacy mechanisms, the proposed approach offers an interpretable and scalable alternative for secure data sharing. Its structured design facilitates integration into sensitive domains where both data quality and confidentiality are critical.
Authors: Vincent-Daniel Yun
Abstract: Low-precision training has become crucial for reducing the computational and memory costs of large-scale deep learning. However, quantizing gradients introduces magnitude shrinkage, which can change how stochastic gradient descent (SGD) converges. In this study, we explore SGD convergence under a gradient shrinkage model, where each stochastic gradient is scaled by a factor \( q_k \in (0,1] \). We show that this shrinkage affect the usual stepsize \( \mu_k \) with an effective stepsize \( \mu_k q_k \), slowing convergence when \( q_{\min} < 1 \). With typical smoothness and bounded-variance assumptions, we prove that low-precision SGD still converges, but at a slower pace set by \( q_{\min} \), and with a higher steady error level due to quantization effects. We analyze theoretically how lower numerical precision slows training by treating it as gradient shrinkage within the standard SGD convergence setup.
Authors: Fang Wang, Ernesto Damiani
Abstract: Predictive Business Process Monitoring (PBPM) aims to forecast future events in ongoing cases based on historical event logs. While Graph Neural Networks (GNNs) are well suited to capture structural dependencies in process data, existing GNN-based PBPM models remain underdeveloped. Most rely either on short prefix subgraphs or global architectures that overlook temporal relevance and transition semantics. We propose a unified, interpretable GNN framework that advances the state of the art along three key axes. First, we compare prefix-based Graph Convolutional Networks(GCNs) and full trace Graph Attention Networks(GATs) to quantify the performance gap between localized and global modeling. Second, we introduce a novel time decay attention mechanism that constructs dynamic, prediction-centered windows, emphasizing temporally relevant history and suppressing noise. Third, we embed transition type semantics into edge features to enable fine grained reasoning over structurally ambiguous traces. Our architecture includes multilevel interpretability modules, offering diverse visualizations of attention behavior. Evaluated on five benchmarks, the proposed models achieve competitive Top-k accuracy and DL scores without per-dataset tuning. By addressing architectural, temporal, and semantic gaps, this work presents a robust, generalizable, and explainable solution for next event prediction in PBPM.
Authors: Maxime Heuillet, Yufei Cui, Boxing Chen, Audrey Durand, Prasanna Parthasarathi
Abstract: Advanced reasoning in LLMs on challenging domains like mathematical reasoning can be tackled using verifiable rewards based reinforced fine-tuning (ReFT). In standard ReFT frameworks, a behavior model generates multiple completions with answers per problem, for the answer to be then scored by a reward function. While such RL post-training methods demonstrate significant performance improvements across challenging reasoning domains, the computational cost of generating completions during training with multiple inference steps makes the training cost non-trivial. To address this, we draw inspiration from off-policy RL, and speculative decoding to introduce a novel ReFT framework, dubbed Nested-ReFT, where a subset of layers of the target model acts as the behavior model to generate off-policy completions during training. The behavior model configured with dynamic layer skipping per batch during training decreases the inference cost compared to the standard ReFT frameworks. Our theoretical analysis shows that Nested-ReFT yields unbiased gradient estimates with controlled variance. Our empirical analysis demonstrates improved computational efficiency measured as tokens/sec across multiple math reasoning benchmarks and model sizes. Additionally, we explore three variants of bias mitigation to minimize the off-policyness in the gradient updates that allows for maintaining performance that matches the baseline ReFT performance.
Authors: Reza Shirkavand, Shangqian Gao, Peiran Yu, Heng Huang
Abstract: We study cost-aware routing for large language models across diverse and dynamic pools of models. Existing approaches often overlook prompt-specific context, rely on expensive model profiling, assume a fixed set of experts, or use inefficient trial-and-error strategies. We introduce Cost-Spectrum Contrastive Routing (CSCR), a lightweight framework that maps both prompts and models into a shared embedding space to enable fast, cost-sensitive selection. CSCR uses compact, fast-to-compute logit footprints for open-source models and perplexity fingerprints for black-box APIs. A contrastive encoder is trained to favor the cheapest accurate expert within adaptive cost bands. At inference time, routing reduces to a single k-NN lookup via a FAISS index, requiring no retraining when the expert pool changes and enabling microsecond latency. Across multiple benchmarks, CSCR consistently outperforms baselines, improving the accuracy-cost tradeoff by up to 25%, while generalizing robustly to unseen LLMs and out-of-distribution prompts.
Authors: Jianhui Wang, Wenyu Zhu, Bowen Gao, Xin Hong, Ya-Qin Zhang, Wei-Ying Ma, Yanyan Lan
Abstract: Protein-ligand binding prediction is central to virtual screening and affinity ranking, two fundamental tasks in drug discovery. While recent retrieval-based methods embed ligands and protein pockets into Euclidean space for similarity-based search, the geometry of Euclidean embeddings often fails to capture the hierarchical structure and fine-grained affinity variations intrinsic to molecular interactions. In this work, we propose HypSeek, a hyperbolic representation learning framework that embeds ligands, protein pockets, and sequences into Lorentz-model hyperbolic space. By leveraging the exponential geometry and negative curvature of hyperbolic space, HypSeek enables expressive, affinity-sensitive embeddings that can effectively model both global activity and subtle functional differences-particularly in challenging cases such as activity cliffs, where structurally similar ligands exhibit large affinity gaps. Our mode unifies virtual screening and affinity ranking in a single framework, introducing a protein-guided three-tower architecture to enhance representational structure. HypSeek improves early enrichment in virtual screening on DUD-E from 42.63 to 51.44 (+20.7%) and affinity ranking correlation on JACS from 0.5774 to 0.7239 (+25.4%), demonstrating the benefits of hyperbolic geometry across both tasks and highlighting its potential as a powerful inductive bias for protein-ligand modeling.
Authors: Jaya Narain, Zakaria Aldeneh, Shirley Ren
Abstract: Both speech and sensor time series data encode information in both the time- and frequency- domains, like spectral powers and waveform shapelets. We show that speech foundation models learn representations that generalize beyond the speech domain and achieve state-of-the-art performance on diverse time-series tasks from wearable sensors. Probes trained on features extracted from HuBERT and wav2vec 2.0 outperform those extracted from self-supervised models trained directly on modality-specific datasets for mood classification, arrhythmia detection, and activity classification tasks. We find that the convolutional feature encoders of speech models are particularly relevant for wearable sensor applications. The proposed approach enhances performance on data-scarce time-series tasks using simple probing methods. This work takes a step toward developing generalized time-series models that unify speech and sensor modalities.
Authors: Amirmohammad Farzaneh, Matteo Zecchin, Osvaldo Simeone
Abstract: This work addresses the problem of constructing reliable prediction intervals for individual counterfactual outcomes. Existing conformal counterfactual inference (CCI) methods provide marginal coverage guarantees but often produce overly conservative intervals, particularly under treatment imbalance when counterfactual samples are scarce. We introduce synthetic data-powered CCI (SP-CCI), a new framework that augments the calibration set with synthetic counterfactual labels generated by a pre-trained counterfactual model. To ensure validity, SP-CCI incorporates synthetic samples into a conformal calibration procedure based on risk-controlling prediction sets (RCPS) with a debiasing step informed by prediction-powered inference (PPI). We prove that SP-CCI achieves tighter prediction intervals while preserving marginal coverage, with theoretical guarantees under both exact and approximate importance weighting. Empirical results on different datasets confirm that SP-CCI consistently reduces interval width compared to standard CCI across all settings.
Authors: Tilen Cadez, Kyoung-Min Kim
Abstract: Neural scaling laws--power-law relationships between generalization errors and characteristics of deep learning models--are vital tools for developing reliable models while managing limited resources. Although the success of large language models highlights the importance of these laws, their application to deep regression models remains largely unexplored. Here, we empirically investigate neural scaling laws in deep regression using a parameter estimation model for twisted van der Waals magnets. We observe power-law relationships between the loss and both training dataset size and model capacity across a wide range of values, employing various architectures--including fully connected networks, residual networks, and vision transformers. Furthermore, the scaling exponents governing these relationships range from 1 to 2, with specific values depending on the regressed parameters and model details. The consistent scaling behaviors and their large scaling exponents suggest that the performance of deep regression models can improve substantially with increasing data size.
Authors: Ilker Demirel, Karan Thakkar, Benjamin Elizalde, Miquel Espi Marques, Shirley Ren, Jaya Narain
Abstract: Sensor data streams provide valuable information around activities and context for downstream applications, though integrating complementary information can be challenging. We show that large language models (LLMs) can be used for late fusion for activity classification from audio and motion time series data. We curated a subset of data for diverse activity recognition across contexts (e.g., household activities, sports) from the Ego4D dataset. Evaluated LLMs achieved 12-class zero- and one-shot classification F1-scores significantly above chance, with no task-specific training. Zero-shot classification via LLM-based fusion from modality-specific models can enable multimodal temporal applications where there is limited aligned training data for learning a shared embedding space. Additionally, LLM-based fusion can enable model deploying without requiring additional memory and computation for targeted application-specific multimodal models.
Authors: Jin Lee, Ziming Liu, Xinling Yu, Yixuan Wang, Haewon Jeong, Murphy Yuezhen Niu, Zheng Zhang
Abstract: We introduce Kolmogorov--Arnold Neural Operator (KANO), a dual-domain neural operator jointly parameterized by both spectral and spatial bases with intrinsic symbolic interpretability. We theoretically demonstrate that KANO overcomes the pure-spectral bottleneck of Fourier Neural Operator (FNO): KANO remains expressive over generic position-dependent dynamics (variable coefficient PDEs) for any physical input, whereas FNO stays practical only for spectrally sparse operators and strictly imposes a fast-decaying input Fourier tail. We verify our claims empirically on position-dependent differential operators, for which KANO robustly generalizes but FNO fails to. In the quantum Hamiltonian learning benchmark, KANO reconstructs ground-truth Hamiltonians in closed-form symbolic representations accurate to the fourth decimal place in coefficients and attains $\approx 6\times10^{-6}$ state infidelity from projective measurement data, substantially outperforming that of the FNO trained with ideal full wave function data, $\approx 1.5\times10^{-2}$, by orders of magnitude.
Authors: Amirmohammad Ziaei Bideh, Aleksandra Georgievska, Jonathan Gryak
Abstract: Model discovery aims to uncover governing differential equations of dynamical systems directly from experimental data. Benchmarking such methods is essential for tracking progress and understanding trade-offs in the field. While prior efforts have focused mostly on identifying single equations, typically framed as symbolic regression, there remains a lack of comprehensive benchmarks for discovering dynamical models. To address this, we introduce MDBench, an open-source benchmarking framework for evaluating model discovery methods on dynamical systems. MDBench assesses 12 algorithms on 14 partial differential equations (PDEs) and 63 ordinary differential equations (ODEs) under varying levels of noise. Evaluation metrics include derivative prediction accuracy, model complexity, and equation fidelity. We also introduce seven challenging PDE systems from fluid dynamics and thermodynamics, revealing key limitations in current methods. Our findings illustrate that linear methods and genetic programming methods achieve the lowest prediction error for PDEs and ODEs, respectively. Moreover, linear models are in general more robust against noise. MDBench accelerates the advancement of model discovery methods by offering a rigorous, extensible benchmarking framework and a rich, diverse collection of dynamical system datasets, enabling systematic evaluation, comparison, and improvement of equation accuracy and robustness.
Authors: Yuandong Tian
Abstract: While the phenomenon of grokking, i.e., delayed generalization, has been studied extensively, it remains an open problem whether there is a mathematical framework that characterizes what kind of features will emerge, how and in which conditions it happens, and is closely related to the gradient dynamics of the training, for complex structured inputs. We propose a novel framework, named $\mathbf{Li}_2$, that captures three key stages for the grokking behavior of 2-layer nonlinear networks: (I) Lazy learning, (II) independent feature learning and (III) interactive feature learning. At the lazy learning stage, top layer overfits to random hidden representation and the model appears to memorize. Thanks to lazy learning and weight decay, the backpropagated gradient $G_F$ from the top layer now carries information about the target label, with a specific structure that enables each hidden node to learn their representation independently. Interestingly, the independent dynamics follows exactly the gradient ascent of an energy function $E$, and its local maxima are precisely the emerging features. We study whether these local-optima induced features are generalizable, their representation power, and how they change on sample size, in group arithmetic tasks. When hidden nodes start to interact in the later stage of learning, we provably show how $G_F$ changes to focus on missing features that need to be learned. Our study sheds lights on roles played by key hyperparameters such as weight decay, learning rate and sample sizes in grokking, leads to provable scaling laws of feature emergence, memorization and generalization, and reveals why recent optimizers such as Muon can be effective, from the first principles of gradient dynamics. Our analysis can be extended to multi-layers. The code is available at https://github.com/yuandong-tian/understanding/tree/main/ssl/real-dataset/cogo.
URLs: https://github.com/yuandong-tian/understanding/tree/main/ssl/real-dataset/cogo.
Authors: Roie Kazoom, Yuval Ratzabi, Etamar Rothstein, Ofer Hadar
Abstract: Adversarial robustness in structured data remains an underexplored frontier compared to vision and language domains. In this work, we introduce a novel black-box, decision-based adversarial attack tailored for tabular data. Our approach combines gradient-free direction estimation with an iterative boundary search, enabling efficient navigation of discrete and continuous feature spaces under minimal oracle access. Extensive experiments demonstrate that our method successfully compromises nearly the entire test set across diverse models, ranging from classical machine learning classifiers to large language model (LLM)-based pipelines. Remarkably, the attack achieves success rates consistently above 90%, while requiring only a small number of queries per instance. These results highlight the critical vulnerability of tabular models to adversarial perturbations, underscoring the urgent need for stronger defenses in real-world decision-making systems.
Authors: Zhen Li, Fan Zhang, Zheng Zhang, Yu Chen
Abstract: We investigate the phenomenon of posterior collapse in variational autoencoders (VAEs) from the perspective of statistical physics, and reveal that it constitutes a phase transition governed jointly by data structure and model hyper-parameters. By analyzing the stability of the trivial solution associated with posterior collapse, we identify a critical hyper-parameter threshold. In particular, we derive an explicit criterion for the onset of collapse: posterior collapse occurs when the decoder variance exceeds the largest eigenvalue of the data covariance matrix. This critical boundary, separating meaningful latent inference from collapse, is characterized by a discontinuity in the KL divergence between the approximate posterior and the prior distribution, where the KL divergence and its derivatives exhibit clear non-analytic behavior. We validate this critical behavior on both synthetic and real-world datasets, confirming the existence of a phase transition. The experimental results align well with our theoretical predictions, demonstrating the robustness of our collapse criterion across various VAE architectures. Our stability-based analysis demonstrate that posterior collapse is not merely an optimization failure, but rather an emerging phase transition arising from the interplay between data structure and variational constraints. This perspective offers new insights into the trainability and representational capacity of deep generative models.
Authors: Yujie Zhou, Pengyang Ling, Jiazi Bu, Yibin Wang, Yuhang Zang, Jiaqi Wang, Li Niu, Guangtao Zhai
Abstract: The incorporation of online reinforcement learning (RL) into diffusion and flow-based generative models has recently gained attention as a powerful paradigm for aligning model behavior with human preferences. By leveraging stochastic sampling via Stochastic Differential Equations (SDEs) during the denoising phase, these models can explore a variety of denoising trajectories, enhancing the exploratory capacity of RL. However, despite their ability to discover potentially high-reward samples, current approaches often struggle to effectively align with preferences due to the sparsity and narrowness of reward feedback. To overcome this limitation, we introduce a novel framework called Granular-GRPO (G$^2$RPO), which enables fine-grained and comprehensive evaluation of sampling directions in the RL training of flow models. Specifically, we propose a Singular Stochastic Sampling mechanism that supports step-wise stochastic exploration while ensuring strong correlation between injected noise and reward signals, enabling more accurate credit assignment to each SDE perturbation. Additionally, to mitigate the bias introduced by fixed-granularity denoising, we design a Multi-Granularity Advantage Integration module that aggregates advantages computed across multiple diffusion scales, resulting in a more robust and holistic assessment of sampling trajectories. Extensive experiments on various reward models, including both in-domain and out-of-domain settings, demonstrate that our G$^2$RPO outperforms existing flow-based GRPO baselines, highlighting its effectiveness and generalization capability.
Authors: Yuanfan Li, Yunwen Lei, Zheng-Chu Guo, Yiming Ying
Abstract: Recent advances have significantly improved our understanding of the generalization performance of gradient descent (GD) methods in deep neural networks. A natural and fundamental question is whether GD can achieve generalization rates comparable to the minimax optimal rates established in the kernel setting. Existing results either yield suboptimal rates of $O(1/\sqrt{n})$, or focus on networks with smooth activation functions, incurring exponential dependence on network depth $L$. In this work, we establish optimal generalization rates for GD with deep ReLU networks by carefully trading off optimization and generalization errors, achieving only polynomial dependence on depth. Specifically, under the assumption that the data are NTK separable from the margin $\gamma$, we prove an excess risk rate of $\widetilde{O}(L^4 (1 + \gamma L^2) / (n \gamma^2))$, which aligns with the optimal SVM-type rate $\widetilde{O}(1 / (n \gamma^2))$ up to depth-dependent factors. A key technical contribution is our novel control of activation patterns near a reference model, enabling a sharper Rademacher complexity bound for deep ReLU networks trained with gradient descent.
Authors: Bowei Tian, Yexiao He, Wanghao Ye, Ziyao Wang, Meng Liu, Ang Li
Abstract: Large-scale foundation models demonstrate strong performance across language, vision, and reasoning tasks. However, how they internally structure and stabilize concepts remains elusive. Inspired by causal inference, we introduce the MindCraft framework built upon Concept Trees. By applying spectral decomposition at each layer and linking principal directions into branching Concept Paths, Concept Trees reconstruct the hierarchical emergence of concepts, revealing exactly when they diverge from shared representations into linearly separable subspaces. Empirical evaluations across diverse scenarios across disciplines, including medical diagnosis, physics reasoning, and political decision-making, show that Concept Trees recover semantic hierarchies, disentangle latent concepts, and can be widely applied across multiple domains. The Concept Tree establishes a widely applicable and powerful framework that enables in-depth analysis of conceptual representations in deep models, marking a significant step forward in the foundation of interpretable AI.
Authors: Youngjoon Lee, Seongmin Cho, Yehhyun Jo, Jinu Gong, Hyunjoo Jenny Lee, Joonhyuk Kang
Abstract: The limited data availability due to strict privacy regulations and significant resource demands severely constrains biomedical time-series AI development, which creates a critical gap between data requirements and accessibility. Synthetic data generation presents a promising solution by producing artificial datasets that maintain the statistical properties of real biomedical time-series data without compromising patient confidentiality. While GANs, VAEs, and diffusion models capture global data distributions, forecasting models offer inductive biases tailored for sequential dynamics. We propose a framework for synthetic biomedical time-series data generation based on recent forecasting models that accurately replicates complex electrophysiological signals such as EEG and EMG with high fidelity. These synthetic datasets can be freely shared for open AI development and consistently improve downstream model performance. Numerical results on sleep-stage classification show up to a 3.71\% performance gain with augmentation and a 91.00\% synthetic-only accuracy that surpasses the real-data-only baseline.
Authors: Ruoxing Yang
Abstract: We introduce PPOPT - Proximal Policy Optimization using Pretraining, a novel, model-free deep-reinforcement-learning algorithm that leverages pretraining to achieve high training efficiency and stability on very small training samples in physics-based environments. Reinforcement learning agents typically rely on large samples of environment interactions to learn a policy. However, frequent interactions with a (computer-simulated) environment may incur high computational costs, especially when the environment is complex. Our main innovation is a new policy neural network architecture that consists of a pretrained neural network middle section sandwiched between two fully-connected networks. Pretraining part of the network on a different environment with similar physics will help the agent learn the target environment with high efficiency because it will leverage a general understanding of the transferrable physics characteristics from the pretraining environment. We demonstrate that PPOPT outperforms baseline classic PPO on small training samples both in terms of rewards gained and general training stability. While PPOPT underperforms against classic model-based methods such as DYNA DDPG, the model-free nature of PPOPT allows it to train in significantly less time than its model-based counterparts. Finally, we present our implementation of PPOPT as open-source software, available at github.com/Davidrxyang/PPOPT.
Authors: Yu-Hsiang Wang, Olgica Milenkovic
Abstract: Time series are ubiquitous in many applications that involve forecasting, classification and causal inference tasks, such as healthcare, finance, audio signal processing and climate sciences. Still, large, high-quality time series datasets remain scarce. Synthetic generation can address this limitation; however, current models confined either to the time or frequency domains struggle to reproduce the inherently multi-scaled structure of real-world time series. We introduce WaveletDiff, a novel framework that trains diffusion models directly on wavelet coefficients to exploit the inherent multi-resolution structure of time series data. The model combines dedicated transformers for each decomposition level with cross-level attention mechanisms that enable selective information exchange between temporal and frequency scales through adaptive gating. It also incorporates energy preservation constraints for individual levels based on Parseval's theorem to preserve spectral fidelity throughout the diffusion process. Comprehensive tests across six real-world datasets from energy, finance, and neuroscience domains demonstrate that WaveletDiff consistently outperforms state-of-the-art time-domain and frequency-domain generative methods on both short and long time series across five diverse performance metrics. For example, WaveletDiff achieves discriminative scores and Context-FID scores that are $3\times$ smaller on average than the second-best baseline across all datasets.
Authors: David J. Albers, Tell D. Bennett, Jana de Wiljes, George Hripcsak, Bradford J. Smith, Peter D. Sottile, J. N. Stroh
Abstract: Identifying the effects of mechanical ventilation strategies and protocols in critical care requires analyzing data from heterogeneous patient-ventilator systems within the context of the clinical decision-making environment. This research develops a framework to help understand the consequences of mechanical ventilation (MV) and adjunct care decisions on patient outcome from observations of critical care patients receiving MV. Developing an understanding of and improving critical care respiratory management requires the analysis of existing secondary-use clinical data to generate hypotheses about advantageous variations and adaptations of current care. This work introduces a perspective of the joint patient-ventilator-care systems (so-called J6) to develop a scalable method for analyzing data and trajectories of these complex systems. To that end, breath behaviors are analyzed using evolutionary game theory (EGT), which generates the necessary quantitative precursors for deeper analysis through probabilistic and stochastic machinery such as reinforcement learning. This result is one step along the pathway toward MV optimization and personalization. The EGT-based process is analytically validated on synthetic data to reveal potential caveats before proceeding to real-world ICU data applications that expose complexities of the data-generating process J6. The discussion includes potential developments toward a state transition model for the simulating effects of MV decision using empirical and game-theoretic elements.
Authors: Liang Ye, Shengqin Chen, Jiazhu Dai
Abstract: The rapid progress of graph generation has raised new security concerns, particularly regarding backdoor vulnerabilities. While prior work has explored backdoor attacks in image diffusion and unconditional graph generation, conditional, especially text-guided graph generation remains largely unexamined. This paper proposes BadGraph, a backdoor attack method against latent diffusion models for text-guided graph generation. BadGraph leverages textual triggers to poison training data, covertly implanting backdoors that induce attacker-specified subgraphs during inference when triggers appear, while preserving normal performance on clean inputs. Extensive experiments on four benchmark datasets (PubChem, ChEBI-20, PCDes, MoMu) demonstrate the effectiveness and stealth of the attack: less than 10% poisoning rate can achieves 50% attack success rate, while 24% suffices for over 80% success rate, with negligible performance degradation on benign samples. Ablation studies further reveal that the backdoor is implanted during VAE and diffusion training rather than pretraining. These findings reveal the security vulnerabilities in latent diffusion models of text-guided graph generation, highlight the serious risks in models' applications such as drug discovery and underscore the need for robust defenses against the backdoor attack in such diffusion models.
Authors: Adrien Weihs, Andrea L. Bertozzi, Matthew Thorpe
Abstract: Hypergraphs provide a natural framework for modeling higher-order interactions, yet their theoretical underpinnings in semi-supervised learning remain limited. We provide an asymptotic consistency analysis of variational learning on random geometric hypergraphs, precisely characterizing the conditions ensuring the well-posedness of hypergraph learning as well as showing convergence to a weighted $p$-Laplacian equation. Motivated by this, we propose Higher-Order Hypergraph Learning (HOHL), which regularizes via powers of Laplacians from skeleton graphs for multiscale smoothness. HOHL converges to a higher-order Sobolev seminorm. Empirically, it performs strongly on standard baselines.
Authors: Jiayi Luo, Qingyun Sun, Beining Yang, Haonan Yuan, Xingcheng Fu, Yanbiao Ma, Jianxin Li, Philip S. Yu
Abstract: Graph condensation (GC) has gained significant attention for its ability to synthesize smaller yet informative graphs. However, existing studies often overlook the robustness of GC in scenarios where the original graph is corrupted. In such cases, we observe that the performance of GC deteriorates significantly, while existing robust graph learning technologies offer only limited effectiveness. Through both empirical investigation and theoretical analysis, we reveal that GC is inherently an intrinsic-dimension-reducing process, synthesizing a condensed graph with lower classification complexity. Although this property is critical for effective GC performance, it remains highly vulnerable to adversarial perturbations. To tackle this vulnerability and improve GC robustness, we adopt the geometry perspective of graph data manifold and propose a novel Manifold-constrained Robust Graph Condensation framework named MRGC. Specifically, we introduce three graph data manifold learning modules that guide the condensed graph to lie within a smooth, low-dimensional manifold with minimal class ambiguity, thereby preserving the classification complexity reduction capability of GC and ensuring robust performance under universal adversarial attacks. Extensive experiments demonstrate the robustness of \ModelName\ across diverse attack scenarios.
Authors: Adrien Weihs, Andrea L. Bertozzi, Matthew Thorpe
Abstract: Higher-Order Hypergraph Learning (HOHL) was recently introduced as a principled alternative to classical hypergraph regularization, enforcing higher-order smoothness via powers of multiscale Laplacians induced by the hypergraph structure. Prior work established the well- and ill-posedness of HOHL through an asymptotic consistency analysis in geometric settings. We extend this theoretical foundation by proving the consistency of a truncated version of HOHL and deriving explicit convergence rates when HOHL is used as a regularizer in fully supervised learning. We further demonstrate its strong empirical performance in active learning and in datasets lacking an underlying geometric structure, highlighting HOHL's versatility and robustness across diverse learning settings.
Authors: Jamie Lanyon, Axel Finke, Petros Andreou, Georgina Cosma
Abstract: Machine unlearning (MU) aims to remove the influence of certain data points from a trained model without costly retraining. Most practical MU algorithms are only approximate and their performance can only be assessed empirically. Care must therefore be taken to make empirical comparisons as representative as possible. A common practice is to run the MU algorithm multiple times independently starting from the same trained model. In this work, we demonstrate that this practice can give highly non-representative results because -- even for the same architecture and same dataset -- some MU methods can be highly sensitive to the choice of random number seed used for model training. We illustrate that this is particularly relevant for MU methods that are deterministic, i.e., which always produce the same result when started from the same trained model. We therefore recommend that empirical comparisons of MU algorithms should also reflect the variability across different model training seeds.
Authors: Shaojie Wang, Jinghui Wang, Yinghan Cui, Xuxing Chen, Chao Wang, Liang Huang, Xiaojiang Zhang, Junyi Peng, Li Wan, Haotian Zhang, Bin Chen
Abstract: In agentic LLM scenarios, an agent's interaction process during a single rollout often exhibits branching behaviors. Due to memory retrieval and concurrent tool executions at certain decision points, the token trajectory of one task evolves into a tree-like structure rather than a linear sequence. However, current training pipelines decompose such tree-structured trajectories into separate linear segments, treating each branch as an independent sequence. As a result, shared prefixes across these branches are repeatedly recomputed during both forward and backward passes. To address this inefficiency, we propose Tree Training, a paradigm that computes each shared prefix only once and reuses its intermediate results across related branches during both forward and backward passes, substantially improving computation efficiency in large-scale agentic training. This is achieved via (i) Tree Packing, which efficiently reuses shared computations across trajectories, and (ii) Gradient Restoration, which ensures correct gradient propagation across reused prefixes. Experiments on multiple open-source models demonstrate up to 3.9x reduction in total training time, enabling more efficient agentic LLM SFT and RL training.
Authors: Ernesto Araya, Massimiliano Datres, Gitta Kutyniok
Abstract: Spiking neural networks (SNNs) are a promising paradigm for energy-efficient computation, yet their theoretical foundations-especially regarding stability and robustness-remain limited compared to artificial neural networks. In this work, we study discrete-time leaky integrate-and-fire (LIF) SNNs through the lens of Boolean function analysis. We focus on noise sensitivity and stability in classification tasks, quantifying how input perturbations affect outputs. Our main result shows that wide LIF-SNN classifiers are stable on average, a property explained by the concentration of their Fourier spectrum on low-frequency components. Motivated by this, we introduce the notion of spectral simplicity, which formalizes simplicity in terms of Fourier spectrum concentration and connects our analysis to the simplicity bias observed in deep networks. Within this framework, we show that random LIF-SNNs are biased toward simple functions. Experiments on trained networks confirm that these stability properties persist in practice. Together, these results provide new insights into the stability and robustness properties of SNNs.
Authors: Ekdeep Singh Lubana, Can Rager, Sai Sumedh R. Hindupur, Valerie Costa, Greta Tuckute, Oam Patel, Sonia Krishna Murthy, Thomas Fel, Daniel Wurgaft, Eric J. Bigelow, Johnny Lin, Demba Ba, Martin Wattenberg, Fernanda Viegas, Melanie Weber, Aaron Mueller
Abstract: Recovering meaningful concepts from language model activations is a central aim of interpretability. While existing feature extraction methods aim to identify concepts that are independent directions, it is unclear if this assumption can capture the rich temporal structure of language. Specifically, via a Bayesian lens, we demonstrate that Sparse Autoencoders (SAEs) impose priors that assume independence of concepts across time, implying stationarity. Meanwhile, language model representations exhibit rich temporal dynamics, including systematic growth in conceptual dimensionality, context-dependent correlations, and pronounced non-stationarity, in direct conflict with the priors of SAEs. Taking inspiration from computational neuroscience, we introduce a new interpretability objective -- Temporal Feature Analysis -- which possesses a temporal inductive bias to decompose representations at a given time into two parts: a predictable component, which can be inferred from the context, and a residual component, which captures novel information unexplained by the context. Temporal Feature Analyzers correctly parse garden path sentences, identify event boundaries, and more broadly delineate abstract, slow-moving information from novel, fast-moving information, while existing SAEs show significant pitfalls in all the above tasks. Overall, our results underscore the need for inductive biases that match the data in designing robust interpretability tools.
Authors: Qingyun Sun, Jiayi Luo, Haonan Yuan, Xingcheng Fu, Hao Peng, Jianxin Li, Philip S. Yu
Abstract: Graph neural networks have shown remarkable success in exploiting the spatial and temporal patterns on dynamic graphs. However, existing GNNs exhibit poor generalization ability under distribution shifts, which is inevitable in dynamic scenarios. As dynamic graph generation progresses amid evolving latent non-stationary environments, it is imperative to explore their effects on out-of-distribution (OOD) generalization. This paper proposes a novel Evolving Graph Learning framework for OOD generalization (EvoOOD) by environment-aware invariant pattern recognition. Specifically, we first design an environment sequential variational auto-encoder to model environment evolution and infer the underlying environment distribution. Then, we introduce a mechanism for environment-aware invariant pattern recognition, tailored to address environmental diversification through inferred distributions. Finally, we conduct fine-grained causal interventions on individual nodes using a mixture of instantiated environment samples. This approach helps to distinguish spatio-temporal invariant patterns for OOD prediction, especially in non-stationary environments. Experimental results demonstrate the superiority of EvoGOOD on both real-world and synthetic dynamic datasets under distribution shifts. To the best of our knowledge, it is the first attempt to study the dynamic graph OOD generalization problem from the environment evolution perspective.
Authors: Hector R. Rodriguez, Jiechen Huang, Wenjian Yu
Abstract: Monte Carlo random walk methods are widely used in capacitance extraction for their mesh free formulation and inherent parallelism. However, modern semiconductor technologies with densely packed structures present significant challenges in unbiasedly sampling transition domains in walk steps with multiple high contrast dielectric materials. We present DeepRWCap, a machine learning guided random walk solver that predicts the transition quantities required to guide each step of the walk. These include Poisson kernels, gradient kernels, and the signs and magnitudes of weights. DeepRWCap employs a two stage neural architecture that decomposes structured outputs into face wise distributions and spatial kernels on cube faces. It uses 3D convolutional networks to capture volumetric dielectric interactions and 2D depthwise separable convolutions to model localized kernel behavior. The design incorporates grid based positional encodings and structural design choices informed by cube symmetries to reduce learning redundancy and improve generalization. Trained on 100000 procedurally generated dielectric configurations, DeepRWCap achieves a mean relative error of 1.24 +/- 0.53% when benchmarked against the commercial Raphael solver on the self capacitance estimation of 10 industrial designs spanning 12 to 55 nm nodes. Compared to the state of the art stochastic difference method Microwalk, DeepRWCap achieves an average speedup of 23%. On complex designs with runtimes over 10 seconds, it reaches an average acceleration of 49%.
Authors: Xiao-Song Yang, Qi Zhou, Xuan Zhou
Abstract: Determining the minimum width of fully connected neural networks has become a fundamental problem in recent theoretical studies of deep neural networks. In this paper, we study the lower bounds and upper bounds of the minimum width required for fully connected neural networks in order to have universal approximation capability, which is important in network design and training. We show that $w_{min}\leq\max(2d_x+1, d_y)$ also holds true for networks with ELU, SELU activation functions, and the upper bound of this inequality is attained when $d_y=2d_x$, where $d_x$, $d_y$ denote the input and output dimensions, respectively. Besides, we show that $d_x+1\leq w_{min}\leq d_x+d_y$ for networks with LeakyReLU, ELU, CELU, SELU, Softplus activation functions, by proving that ReLU activation function can be approximated by these activation functions. In addition, in the case that the activation function is injective or can be uniformly approximated by a sequence of injective functions (e.g., ReLU), we present a new proof of the inequality $w_{min}\ge d_y+\mathbf{1}_{d_x
Authors: Dake Bu, Wei Huang, Andi Han, Atsushi Nitanda, Hau-San Wong, Qingfu Zhang, Taiji Suzuki
Abstract: Recent curriculum techniques in the post-training stage of LLMs have been widely observed to outperform non-curriculum approaches in enhancing reasoning performance, yet a principled understanding of why and to what extent they work remains elusive. To address this gap, we develop a theoretical framework grounded in the intuition that progressively learning through manageable steps is more efficient than directly tackling a hard reasoning task, provided each stage stays within the model's effective competence. Under mild complexity conditions linking consecutive curriculum stages, we show that curriculum post-training avoids the exponential complexity bottleneck. To substantiate this result, drawing insights from the Chain-of-Thoughts (CoTs) solving mathematical problems such as Countdown and parity, we model CoT generation as a states-conditioned autoregressive reasoning tree, define a uniform-branching base model to capture pretrained behavior, and formalize curriculum stages as either depth-increasing (longer reasoning chains) or hint-decreasing (shorter prefixes) subtasks. Our analysis shows that, under outcome-only reward signals, reinforcement learning finetuning achieves high accuracy with polynomial sample complexity, whereas direct learning suffers from an exponential bottleneck. We further establish analogous guarantees for test-time scaling, where curriculum-aware querying reduces both reward oracle calls and sampling cost from exponential to polynomial order.
Authors: Ethan Baron, Alan N. Amin, Ruben Weitzman, Debora Marks, Andrew Gordon Wilson
Abstract: Many proteins useful in modern medicine or bioengineering are challenging to make in the lab, fuse with other proteins in cells, or deliver to tissues in the body, because their sequences are too long. Shortening these sequences typically involves costly, time-consuming experimental campaigns. Ideally, we could instead use modern models of massive databases of sequences from nature to learn how to propose shrunken proteins that resemble sequences found in nature. Unfortunately, these models struggle to efficiently search the combinatorial space of all deletions, and are not trained with inductive biases to learn how to delete. To address this gap, we propose SCISOR, a novel discrete diffusion model that deletes letters from sequences to generate protein samples that resemble those found in nature. To do so, SCISOR trains a de-noiser to reverse a forward noising process that adds random insertions to natural sequences. As a generative model, SCISOR fits evolutionary sequence data competitively with previous large models. In evaluation, SCISOR achieves state-of-the-art predictions of the functional effects of deletions on ProteinGym. Finally, we use the SCISOR de-noiser to shrink long protein sequences, and show that its suggested deletions result in significantly more realistic proteins and more often preserve functional motifs than previous models of evolutionary sequences.
Authors: Yang Yang (Department of Biostatistics and Bioinformatics, Duke University, Durham, USA), Kathryn I. Pollak (Duke Cancer Institute, Durham, USA, Department of Population Health Sciences, Duke University School of Medicine, Durham, USA), Bibhas Chakraborty (Department of Biostatistics and Bioinformatics, Duke University, Durham, USA, Centre for Quantitative Medicine, Duke-NUS Medical School, Singapore, Programme in Health Services and Systems Research, Duke-NUS Medical School, Singapore, Department of Statistics and Data Science, National University of Singapore, Singapore), Molei Liu (Department of Biostatistics, Peking University Health Science Center, Beijing, China, Beijing International Center for Mathematical Research, Peking University, Beijing, China), Doudou Zhou (Department of Statistics and Data Science, National University of Singapore, Singapore), Chuan Hong (Department of Biostatistics and Bioinformatics, Duke University, Durham, USA)
Abstract: Objective: Electronic health record (EHR) phenotyping often relies on noisy proxy labels, which undermine the reliability of downstream risk prediction. Active learning can reduce annotation costs, but most rely on fixed heuristics and do not ensure that phenotype refinement improves prediction performance. Our goal was to develop a framework that directly uses downstream prediction performance as feedback to guide phenotype correction and sample selection under constrained labeling budgets. Materials and Methods: We propose Reinforcement-Enhanced Label-Efficient Active Phenotyping (RELEAP), a reinforcement learning-based active learning framework. RELEAP adaptively integrates multiple querying strategies and, unlike prior methods, updates its policy based on feedback from downstream models. We evaluated RELEAP on a de-identified Duke University Health System (DUHS) cohort (2014-2024) for incident lung cancer risk prediction, using logistic regression and penalized Cox survival models. Performance was benchmarked against noisy-label baselines and single-strategy active learning. Results: RELEAP consistently outperformed all baselines. Logistic AUC increased from 0.774 to 0.805 and survival C-index from 0.718 to 0.752. Using downstream performance as feedback, RELEAP produced smoother and more stable gains than heuristic methods under the same labeling budget. Discussion: By linking phenotype refinement to prediction outcomes, RELEAP learns which samples most improve downstream discrimination and calibration, offering a more principled alternative to fixed active learning rules. Conclusion: RELEAP optimizes phenotype correction through downstream feedback, offering a scalable, label-efficient paradigm that reduces manual chart review and enhances the reliability of EHR-based risk prediction.
Authors: Todd Morrill, Aahlad Puli, Murad Megjhani, Soojin Park, Richard Zemel
Abstract: Deep mixture-of-experts models have attracted a lot of attention for survival analysis problems, particularly for their ability to cluster similar patients together. In practice, grouping often comes at the expense of key metrics such as calibration error and predictive accuracy. This is due to the restrictive inductive bias that mixture-of-experts imposes, that predictions for individual patients must look like predictions for the group they're assigned to. Might we be able to discover patient group structure, where it exists, while improving calibration and predictive accuracy? In this work, we introduce several discrete-time deep mixture-of-experts (MoE)-based architectures for survival analysis problems, one of which achieves all desiderata: clustering, calibration, and predictive accuracy. We show that a key differentiator between this array of MoEs is how expressive their experts are. We find that more expressive experts that tailor predictions per patient outperform experts that rely on fixed group prototypes.
Authors: Yuping Yan, Yuhan Xie, Yuanshuai Li, Yingchao Yu, Lingjuan Lyu, Yaochu Jin
Abstract: Since Multimodal Large Language Models (MLLMs) are increasingly being integrated into everyday tools and intelligent agents, growing concerns have arisen regarding their possible output of unsafe contents, ranging from toxic language and biased imagery to privacy violations and harmful misinformation. Current safety benchmarks remain highly limited in both modality coverage and performance evaluations, often neglecting the extensive landscape of content safety. In this work, we introduce OutSafe-Bench, the first most comprehensive content safety evaluation test suite designed for the multimodal era. OutSafe-Bench includes a large-scale dataset that spans four modalities, featuring over 18,000 bilingual (Chinese and English) text prompts, 4,500 images, 450 audio clips and 450 videos, all systematically annotated across nine critical content risk categories. In addition to the dataset, we introduce a Multidimensional Cross Risk Score (MCRS), a novel metric designed to model and assess overlapping and correlated content risks across different categories. To ensure fair and robust evaluation, we propose FairScore, an explainable automated multi-reviewer weighted aggregation framework. FairScore selects top-performing models as adaptive juries, thereby mitigating biases from single-model judgments and enhancing overall evaluation reliability. Our evaluation of nine state-of-the-art MLLMs reveals persistent and substantial safety vulnerabilities, underscoring the pressing need for robust safeguards in MLLMs.
Authors: Mohamad Amin Mohamadi, Tianhao Wang, Zhiyuan Li
Abstract: Modern language models fail a fundamental requirement of trustworthy intelligence: knowing when not to answer. Despite achieving impressive accuracy on benchmarks, these models produce confident hallucinations, even when wrong answers carry catastrophic consequences. Our evaluations on GSM8K, MedQA and GPQA show frontier models almost never abstain despite explicit warnings of severe penalties, suggesting that prompts cannot override training that rewards any answer over no answer. As a remedy, we propose Reinforced Hesitation (RH): a modification to Reinforcement Learning from Verifiable Rewards (RLVR) to use ternary rewards (+1 correct, 0 abstention, -$\lambda$ error) instead of binary. Controlled experiments on logic puzzles reveal that varying $\lambda$ produces distinct models along a Pareto frontier, where each training penalty yields the optimal model for its corresponding risk regime: low penalties produce aggressive answerers, high penalties conservative abstainers. We then introduce two inference strategies that exploit trained abstention as a coordination signal: cascading routes queries through models with decreasing risk tolerance, while self-cascading re-queries the same model on abstention. Both outperform majority voting with lower computational cost. These results establish abstention as a first-class training objective that transforms ``I don't know'' from failure into a coordination signal, enabling models to earn trust through calibrated honesty about their limits.
Authors: Feng Guo, Yuntao Wen, Shen Gao, Junshuo Zhang, Shuo Shang
Abstract: Machine unlearning, which selectively removes harmful knowledge from a pre-trained model without retraining from scratch, is crucial for addressing privacy, regulatory compliance, and ethical concerns in Large Language Models (LLMs). However, existing unlearning methods often struggle to thoroughly remove harmful knowledge, leaving residual harmful knowledge that can be easily recovered. To address these limitations, we propose Knowledge Density-Guided Unlearning via Blocks Reinsertion (KUnBR), a novel approach that first identifies layers with rich harmful knowledge and then thoroughly eliminates the harmful knowledge via re-insertion strategy. Our method introduces knowledge density estimation to quantify and locate layers containing the most harmful knowledge, enabling precise unlearning. Additionally, we design a layer re-insertion strategy that extracts and re-inserts harmful knowledge-rich layers into the original LLM, bypassing gradient obstruction caused by cover layers and ensuring effective gradient propagation during unlearning. Extensive experiments conducted on several unlearning and general capability benchmarks demonstrate that KUnBR achieves state-of-the-art forgetting performance while maintaining model utility.
Authors: Shuvom Sadhuka, Sophia Lin, Bonnie Berger, Emma Pierson
Abstract: Many sequential decision settings in healthcare feature funnel structures characterized by a series of stages, such as screenings or evaluations, where the number of patients who advance to each stage progressively decreases and decisions become increasingly costly. For example, an oncologist may first conduct a breast exam, followed by a mammogram for patients with concerning exams, followed by a biopsy for patients with concerning mammograms. A key challenge is that the ground truth outcome, such as the biopsy result, is only revealed at the end of this funnel. The selective censoring of the ground truth can introduce statistical biases in risk estimation, especially in underserved patient groups, whose outcomes are more frequently censored. We develop a Bayesian model for funnel decision structures, drawing from prior work on selective labels and censoring. We first show in synthetic settings that our model is able to recover the true parameters and predict outcomes for censored patients more accurately than baselines. We then apply our model to a dataset of emergency department visits, where in-hospital mortality is observed only for those who are admitted to either the hospital or ICU. We find that there are gender-based differences in hospital and ICU admissions. In particular, our model estimates that the mortality risk threshold to admit women to the ICU is higher for women (5.1%) than for men (4.5%).
Authors: Chenghao Liu, Taha Aksu, Juncheng Liu, Xu Liu, Hanshu Yan, Quang Pham, Silvio Savarese, Doyen Sahoo, Caiming Xiong, Junnan Li
Abstract: We introduce Moirai 2.0, a decoder-only time-series foundation model trained on a new corpus of 36M series. The model adopts quantile forecasting and multi-token prediction, improving both probabilistic accuracy and inference efficiency. On the Gift-Eval benchmark, it ranks among the top pretrained models while achieving a strong trade-off between accuracy, speed, and model size. Compared to Moirai 1.0, Moirai 2.0 replaces masked-encoder training, multi-patch inputs, and mixture-distribution outputs with a simpler decoder-only architecture, single patch, and quantile loss. Ablation studies isolate these changes -- showing that the decoder-only backbone along with recursive multi-quantile decoding contribute most to the gains. Additional experiments show that Moirai 2.0 outperforms larger models from the same family and exhibits robust domain-level results. In terms of efficiency and model size, Moirai 2.0 is twice as fast and thirty times smaller than its prior best version, Moirai 1.0-Large, while also performing better. Model performance plateaus with increasing parameter count and declines at longer horizons, motivating future work on data scaling and long-horizon modeling. We release code and evaluation details to support further research.
Authors: Amisha Priyadarshini, Sergio Gago-Masague
Abstract: Despite recent advances in fairness-aware machine learning, predictive models often exhibit discriminatory behavior towards marginalized groups. Such unfairness might arise from biased training data, model design, or representational disparities across groups, posing significant challenges in high-stakes decision-making domains such as college admissions. While existing fair learning models aim to mitigate bias, achieving an optimal trade-off between fairness and accuracy remains a challenge. Moreover, the reliance on black-box models hinders interpretability, limiting their applicability in socially sensitive domains. To circumvent these issues, we propose integrating Kolmogorov-Arnold Networks (KANs) within a fair adversarial learning framework. Leveraging the adversarial robustness and interpretability of KANs, our approach facilitates stable adversarial learning. We derive theoretical insights into the spline-based KAN architecture that ensure stability during adversarial optimization. Additionally, an adaptive fairness penalty update mechanism is proposed to strike a balance between fairness and accuracy. We back these findings with empirical evidence on two real-world admissions datasets, demonstrating the proposed framework's efficiency in achieving fairness across sensitive attributes while preserving predictive performance.
Authors: Shivam Barwey, Pinaki Pal
Abstract: Super-resolution flow reconstruction using state-of-the-art data-driven techniques is valuable for a variety of applications, such as subgrid/subfilter closure modeling, accelerating spatiotemporal forecasting, data compression, and serving as an upscaling tool for sparse experimental measurements. In the present work, a first-of-its-kind multiscale graph transformer approach is developed for mesh-based super-resolution (SR-GT) of reacting flows. The novel data-driven modeling paradigm leverages a graph-based flow-field representation compatible with complex geometries and non-uniform/unstructured grids. Further, the transformer backbone captures long-range dependencies between different parts of the low-resolution flow-field, identifies important features, and then generates the super-resolved flow-field that preserves those features at a higher resolution. The performance of SR-GT is demonstrated in the context of spectral-element-discretized meshes for a challenging test problem of 2D detonation propagation within a premixed hydrogen-air mixture exhibiting highly complex multiscale reacting flow behavior. The SR-GT framework utilizes a unique element + neighborhood graph representation for the coarse input, which is then tokenized before being processed by the transformer component to produce the fine output. It is demonstrated that SR-GT provides high super-resolution accuracy for reacting flow-field features and superior performance compared to traditional interpolation-based SR schemes.
Authors: Omar Adalat, Francesco Belardinelli
Abstract: Specifying informative and dense reward functions remains a pivotal challenge in Reinforcement Learning, as it directly affects the efficiency of agent training. In this work, we harness the expressive power of quantitative Linear Temporal Logic on finite traces (($\text{LTL}_f[\mathcal{F}]$)) to synthesize reward monitors that generate a dense stream of rewards for runtime-observable state trajectories. By providing nuanced feedback during training, these monitors guide agents toward optimal behaviour and help mitigate the well-known issue of sparse rewards under long-horizon decision making, which arises under the Boolean semantics dominating the current literature. Our framework is algorithm-agnostic and only relies on a state labelling function, and naturally accommodates specifying non-Markovian properties. Empirical results show that our quantitative monitors consistently subsume and, depending on the environment, outperform Boolean monitors in maximizing a quantitative measure of task completion and in reducing convergence time.
Authors: Alan G. Paredes Cetina, Kaouther Benguessoum, Raoni Louren\c{c}o, Sylvain Kubler
Abstract: Recent advances in deep learning have improved multivariate time series (MTS) classification and regression by capturing complex patterns, but their lack of transparency hinders decision-making. Explainable AI (XAI) methods offer partial insights, yet often fall short of conveying the full decision space. Counterfactual Explanations (CE) provide a promising alternative, but current approaches typically prioritize either accuracy, proximity or sparsity -- rarely all -- limiting their practical value. To address this, we propose CONFETTI, a novel multi-objective CE method for MTS. CONFETTI identifies key MTS subsequences, locates a counterfactual target, and optimally modifies the time series to balance prediction confidence, proximity and sparsity. This method provides actionable insights with minimal changes, improving interpretability, and decision support. CONFETTI is evaluated on seven MTS datasets from the UEA archive, demonstrating its effectiveness in various domains. CONFETTI consistently outperforms state-of-the-art CE methods in its optimization objectives, and in six other metrics from the literature, achieving $\geq10\%$ higher confidence while improving sparsity in $\geq40\%$.
Authors: Yue Hou, Ruomei Liu, Yingke Su, Junran Wu, Ke Xu
Abstract: A key challenge in graph out-of-distribution (OOD) detection lies in the absence of ground-truth OOD samples during training. Existing methods are typically optimized to capture features within the in-distribution (ID) data and calculate OOD scores, which often limits pre-trained models from representing distributional boundaries, leading to unreliable OOD detection. Moreover, the latent structure of graph data is often governed by multiple underlying factors, which remains less explored. To address these challenges, we propose a novel test-time graph OOD detection method, termed BaCa, that calibrates OOD scores using dual dynamically updated dictionaries without requiring fine-tuning the pre-trained model. Specifically, BaCa estimates graphons and applies a mix-up strategy solely with test samples to generate diverse boundary-aware discriminative topologies, eliminating the need for exposing auxiliary datasets as outliers. We construct dual dynamic dictionaries via priority queues and attention mechanisms to adaptively capture latent ID and OOD representations, which are then utilized for boundary-aware OOD score calibration. To the best of our knowledge, extensive experiments on real-world datasets show that BaCa significantly outperforms existing state-of-the-art methods in OOD detection.
Authors: Yuwen Zhang, Viet Tran, Paul Weng
Abstract: In clinical machine learning, the coexistence of multiple models with comparable performance -- a manifestation of the Rashomon Effect -- poses fundamental challenges for trustworthy deployment and evaluation. Small, imbalanced, and noisy datasets, coupled with high-dimensional and weakly identified clinical features, amplify this multiplicity and make conventional validation schemes unreliable. As a result, selecting among equally performing models becomes uncertain, particularly when resource constraints and operational priorities are not considered by conventional metrics like F1 score. To address these issues, we propose two complementary tools for robust model assessment and selection: Intervention Efficiency (IE) and the Perturbation Validation Framework (PVF). IE is a capacity-aware metric that quantifies how efficiently a model identifies actionable true positives when only limited interventions are feasible, thereby linking predictive performance with clinical utility. PVF introduces a structured approach to assess the stability of models under data perturbations, identifying models whose performance remains most invariant across noisy or shifted validation sets. Empirical results on synthetic and real-world healthcare datasets show that using these tools facilitates the selection of models that generalize more robustly and align with capacity constraints, offering a new direction for tackling the Rashomon Effect in clinical settings.
Authors: Tung Giang Le, Xuan Tung Nguyen, Won-Joo Hwang
Abstract: Increasing wireless network complexity demands scalable resource management. Classical GNNs excel at graph learning but incur high computational costs in large-scale settings. We present a fully quantum Graph Neural Network (QGNN) that implements message passing via Parameterized Quantum Circuits (PQCs). Our Quantum Graph Convolutional Layers (QGCLs) encode features into quantum states, process graphs with NISQ-compatible unitaries, and retrieve embeddings through measurement. Applied to D2D power control for SINR maximization, our QGNN matches classical performance with fewer parameters and inherent parallelism. This end-to-end PQC-based GNN marks a step toward quantum-accelerated wireless optimization.
Authors: Kunyu Zhang, Mingxuan Wang, Xiangjie Shi, Haoxing Xu, Chao Zhang
Abstract: The brain age is a key indicator of brain health. While electroencephalography (EEG) is a practical tool for this task, existing models struggle with the common challenge of imperfect medical data, such as learning a ``normal'' baseline from weakly supervised, healthy-only cohorts. This is a critical anomaly detection task for identifying disease, but standard models are often black boxes lacking an interpretable structure. We propose EVA-Net, a novel framework that recasts brain age as an interpretable anomaly detection problem. EVA-Net uses an efficient, sparsified-attention Transformer to model long EEG sequences. To handle noise and variability in imperfect data, it employs a Variational Information Bottleneck to learn a robust, compressed representation. For interpretability, this representation is aligned to a continuous prototype network that explicitly learns the normative healthy aging manifold. Trained on 1297 healthy subjects, EVA-Net achieves state-of-the-art accuracy. We validated its anomaly detection capabilities on an unseen cohort of 27 MCI and AD patients. This pathological group showed significantly higher brain-age gaps and a novel Prototype Alignment Error, confirming their deviation from the healthy manifold. EVA-Net provides an interpretable framework for healthcare intelligence using imperfect medical data.
Authors: Vaibhav Singh, Oleksiy Ostapenko, Pierre-Andr\'e No\"el, Torsten Scholak
Abstract: Diffusion-based language models have recently emerged as a promising alternative to autoregressive generation, yet their reliance on Transformer backbones limits inference efficiency due to quadratic attention and KV-cache overhead. In this work, we introduce DiffuApriel, a masked diffusion language model built on a bidirectional Mamba backbone that combines the diffusion objective with linear-time sequence modeling. DiffuApriel matches the performance of Transformer-based diffusion models while achieving up to 4.4x higher inference throughput for long sequences with a 1.3B model. We further propose DiffuApriel-H, a hybrid variant that interleaves attention and mamba layers, offering up to 2.6x throughput improvement with balanced global and local context modeling. Our results demonstrate that bidirectional state-space architectures serve as strong denoisers in masked diffusion LMs, providing a practical and scalable foundation for faster, memory-efficient text generation.
Authors: Oleg Smirnov
Abstract: This paper presents tensorflow-riemopt, a Python library for geometric machine learning in TensorFlow. The library provides efficient implementations of neural network layers with manifold-constrained parameters, geometric operations on Riemannian manifolds, and stochastic optimization algorithms for non-Euclidean spaces. Designed for integration with TensorFlow Extended, it supports both research prototyping and production deployment of machine learning pipelines. The code and documentation are distributed under the MIT license and available at https://github.com/master/tensorflow-riemopt
Authors: Muhamamd Ishfaq Hussain, Zubia Naz, Muhammad Aasim Rafique, Moongu Jeon
Abstract: Depth perception is crucial for spatial understanding and has traditionally been achieved through stereoscopic imaging. However, the precision of depth estimation using stereoscopic methods depends on the accurate calibration of binocular vision sensors. Monocular cameras, while more accessible, often suffer from reduced accuracy, especially under challenging imaging conditions. Optical sensors, too, face limitations in adverse environments, leading researchers to explore radar technology as a reliable alternative. Although radar provides coarse but accurate signals, its integration with fine-grained monocular camera data remains underexplored. In this research, we propose DepthSense, a novel radar-assisted monocular depth enhancement approach. DepthSense employs an encoder-decoder architecture, a Radar Residual Network, feature fusion with a spatial attention mechanism, and an ordinal regression layer to deliver precise depth estimations. We conducted extensive experiments on the nuScenes dataset to validate the effectiveness of DepthSense. Our methodology not only surpasses existing approaches in quantitative performance but also reduces parameter complexity and inference times. Our findings demonstrate that DepthSense represents a significant advancement over traditional stereo methods, offering a robust and efficient solution for depth estimation in autonomous driving. By leveraging the complementary strengths of radar and monocular camera data, DepthSense sets a new benchmark in the field, paving the way for more reliable and accurate spatial perception systems.
Authors: Saghar Adler, Mehrdad Moharrami, Vijay Subramanian
Abstract: Motivated by applications of the Erlang-B blocking model and the extended $M/M/k/k+N$ model that allows for some queueing, beyond communication networks to sizing and pricing in production, messaging, and app-based parking systems, we study admission control for such systems with unknown service rate. In our model, a dispatcher either admits every arrival into the system (when there is room) or blocks it. Every served job yields a fixed reward but incurs a per unit time holding cost which includes the waiting time in the queue to get service if there is any. We aim to design a dispatching policy that maximizes the long-term average reward by observing arrival times and system state at arrivals, a realistic decision-event driven sampling of such systems. The dispatcher observes neither service times nor departure epochs, which excludes the use of reward-based reinforcement learning approaches. We develop our learning-based dispatch scheme as a parametric learning problem a'la self-tuning adaptive control. In our problem, certainty equivalent control switches between always admit if room (explore infinitely often), and never admit (terminate learning), so at judiciously chosen times we avoid the never admit recommendation. We prove that our proposed policy asymptotically converges to the optimal policy and present finite-time regret guarantees. The extreme contrast in the control policies shows up in our regret bounds for different parameter regimes: constant in one versus logarithmic in another.
Authors: Mingtian Zhang, Oscar Key, Peter Hayes, David Barber, Brooks Paige, Fran\c{c}ois-Xavier Briol
Abstract: Score-based divergences have been widely used in machine learning and statistics applications. Despite their empirical success, a blindness problem has been observed when using these for multi-modal distributions. In this work, we discuss the blindness problem and propose a new family of divergences that can mitigate the blindness problem. We illustrate our proposed divergence in the context of density estimation and report improved performance compared to traditional approaches.
Authors: Van-Duc Le, Tien-Cuong Bui, Sang-Kyun Cha
Abstract: Citywide Air Pollution Forecasting tries to precisely predict the air quality multiple hours ahead for the entire city. This topic is challenged since air pollution varies in a spatiotemporal manner and depends on many complicated factors. Our previous research has solved the problem by considering the whole city as an image and leveraged a Convolutional Long Short-Term Memory (ConvLSTM) model to learn the spatiotemporal features. However, an image-based representation may not be ideal as air pollution and other impact factors have natural graph structures. In this research, we argue that a Graph Convolutional Network (GCN) can efficiently represent the spatial features of air quality readings in the whole city. Specially, we extend the ConvLSTM model to a Spatiotemporal Graph Convolutional Recurrent Neural Network (Spatiotemporal GCRNN) model by tightly integrating a GCN architecture into an RNN structure for efficient learning spatiotemporal characteristics of air quality values and their influential factors. Our extensive experiments prove the proposed model has a better performance compare to the state-of-the-art ConvLSTM model for air pollution predicting while the number of parameters is much smaller. Moreover, our approach is also superior to a hybrid GCN-based method in a real-world air pollution dataset.
Authors: Maximilien Dreveton, Daichi Kuroda, Matthias Grossglauser, Patrick Thiran
Abstract: Hierarchical clustering of networks consists in finding a tree of communities, such that lower levels of the hierarchy reveal finer-grained community structures. There are two main classes of algorithms tackling this problem. Divisive (top-down) algorithms recursively partition the nodes into two communities, until a stopping rule indicates that no further split is needed. In contrast, agglomerative (bottom-up) algorithms first identify the smallest community structure and then repeatedly merge the communities using a linkage method. In this article, we establish theoretical guarantees for the recovery of the hierarchical tree and community structure of a Hierarchical Stochastic Block Model by a bottom-up algorithm. We also establish that this bottom-up algorithm attains the information-theoretic threshold for exact recovery at intermediate levels of the hierarchy. Notably, these recovery conditions are less restrictive compared to those existing for top-down algorithms. This shows that bottom-up algorithms extend the feasible region for achieving exact recovery at intermediate levels. Numerical experiments on both synthetic and real data sets confirm the superiority of bottom-up algorithms over top-down algorithms. We also observe that top-down algorithms can produce dendrograms with inversions. These findings contribute to a better understanding of hierarchical clustering techniques and their applications in network analysis.
Authors: Ibrahim Merad, St\'ephane Ga\"iffas
Abstract: We consider the optimization of a smooth and strongly convex objective using constant step-size stochastic gradient descent (SGD) and study its properties through the prism of Markov chains. We show that, for unbiased gradient estimates with mildly controlled variance, the iteration converges to an invariant distribution in total variation distance. We also establish this convergence in Wasserstein-2 distance under a relaxed assumption on the gradient noise distribution compared to previous work. Our analysis shows that the SGD iterates and their invariant limit distribution \emph{inherit} sub-Gaussian or sub-exponential concentration properties when these hold true for the gradient. This allows the derivation of high-confidence bounds for the final estimate. Finally, under such conditions in the linear case, we obtain a dimension-free deviation bound for the Polyak-Ruppert average of a tail sequence. All our results are non-asymptotic and their consequences are discussed through a few applications.
Authors: Pratik Nag, Ying Sun, Brian J Reich
Abstract: High spatial resolution wind data are essential for a wide range of applications in climate, oceanographic and meteorological studies. Large-scale spatial interpolation or downscaling of bivariate wind fields having velocity in two dimensions is a challenging task because wind data tend to be non-Gaussian with high spatial variability and heterogeneity. In spatial statistics, cokriging is commonly used for predicting bivariate spatial fields. However, the cokriging predictor is not optimal except for Gaussian processes. Additionally, cokriging is computationally prohibitive for large datasets. In this paper, we propose a method, called bivariate DeepKriging, which is a spatially dependent deep neural network (DNN) with an embedding layer constructed by spatial radial basis functions for bivariate spatial data prediction. We then develop a distribution-free uncertainty quantification method based on bootstrap and ensemble DNN. Our proposed approach outperforms the traditional cokriging predictor with commonly used covariance functions, such as the linear model of co-regionalization and flexible bivariate Mat\'ern covariance. We demonstrate the computational efficiency and scalability of the proposed DNN model, with computations that are, on average, 20 times faster than those of conventional techniques. We apply the bivariate DeepKriging method to the wind data over the Middle East region at 506,771 locations. The prediction performance of the proposed method is superior over the cokriging predictors and dramatically reduces computation time.
Authors: Siyuan Jiang, Yan Ding, Yuling Wang, Lei Xu, Wenli Dai, Wanru Chang, Jianfeng Zhang, Jie Yu, Jianqiao Zhou, Chunquan Zhang, Ping Liang, Dexing Kong
Abstract: Ultrasound is a vital diagnostic technique in health screening, with the advantages of non-invasive, cost-effective, and radiation free, and therefore is widely applied in the diagnosis of nodules. However, it relies heavily on the expertise and clinical experience of the sonographer. In ultrasound images, a single nodule might present heterogeneous appearances in different cross-sectional views which makes it hard to perform per-nodule examination. Sonographers usually discriminate different nodules by examining the nodule features and the surrounding structures like gland and duct, which is cumbersome and time-consuming. To address this problem, we collected hundreds of breast ultrasound videos and built a nodule reidentification system that consists of two parts: an extractor based on the deep learning model that can extract feature vectors from the input video clips and a real-time clustering algorithm that automatically groups feature vectors by nodules. The system obtains satisfactory results and exhibits the capability to differentiate ultrasound videos. As far as we know, it's the first attempt to apply re-identification technique in the ultrasonic field.
Authors: Yuetian Luo, Rina Foygel Barber
Abstract: Algorithm evaluation and comparison are fundamental questions in machine learning and statistics -- how well does an algorithm perform at a given modeling task, and which algorithm performs best? Many methods have been developed to assess algorithm performance, often based around cross-validation type strategies, retraining the algorithm of interest on different subsets of the data and assessing its performance on the held-out data points. Despite the broad use of such procedures, the theoretical properties of these methods are not yet fully understood. In this work, we explore some fundamental limits for answering these questions with limited amounts of data. In particular, we make a distinction between two questions: how good is an algorithm A at the problem of learning from a training set of size n, versus, how good is a particular fitted model produced by running A on a particular training data set of size $n$? Our main results prove that, for any test that treats the algorithm A as a ``black box'' (i.e., we can only study the behavior of A empirically), there is a fundamental limit on our ability to carry out inference on the performance of A, unless the number of available data points $N$ is many times larger than the evaluation sample size $n$ of interest. On the other hand, evaluating the performance of a particular fitted model can be easy when evaluating an algorithm is hard. We also ask whether an assumption of algorithmic stability might be sufficient to circumvent this hardness result. Surprisingly, we find that the same hardness result still holds for the problem of evaluating the performance of A, aside from a high-stability regime where fitted models are essentially nonrandom. Finally, we also establish similar hardness results for the problem of comparing multiple algorithms.
Authors: Isao Ishikawa
Abstract: This paper develops a functional-analytic framework for approximating the push-forward induced by an analytic map from finitely many samples. Instead of working directly with the map, we study the push-forward on the space of locally analytic functionals and identify it, via the Fourier--Borel transform, with an operator on the space of entire functions of exponential type. This yields finite-dimensional approximations of the push-forward together with explicit error bounds expressed in terms of the smallest eigenvalues of certain Hankel moment matrices. Moreover, we obtain sample complexity bounds for the approximation from i.i.d.~sampled data. As a consequence, we show that linear algebraic operations on the finite-dimensional approximations can be used to reconstruct analytic vector fields from discrete trajectory data. In particular, we prove convergence of a data-driven method for recovering the vector field of an ordinary differential equation from finite-time flow map data under fairly general conditions.
Authors: Fabian Schneider, Duc-Lam Duong, Matti Lassas, Maarten V. de Hoop, Tapio Helin
Abstract: Score-based diffusion models (SDMs) have emerged as a powerful tool for sampling from the posterior distribution in Bayesian inverse problems. However, existing methods often require multiple evaluations of the forward mapping to generate a single sample, resulting in significant computational costs for large-scale inverse problems. To address this, we propose an unconditional representation of the conditional score function (UCoS) tailored to linear inverse problems, which avoids forward model evaluations during sampling by shifting computational effort to an offline training phase. In this phase, a \emph{task-dependent} score function is learned based on the linear forward operator. Crucially, we show that the conditional score can be derived \emph{exactly} from a trained (unconditional) score using affine transformations, eliminating the need for conditional score approximations. Our approach is formulated in infinite-dimensional function spaces, making it inherently discretization-invariant. We support this formulation with a rigorous convergence analysis that justifies UCoS beyond any specific discretization. Finally we validate UCoS through high-dimensional computed tomography (CT) and image deblurring experiments, demonstrating both scalability and accuracy.
Authors: Man-Chung Yue, Yves Rychener, Daniel Kuhn, Viet Anh Nguyen
Abstract: The state-of-the-art methods for estimating high-dimensional covariance matrices all shrink the eigenvalues of the sample covariance matrix towards a data-insensitive shrinkage target. The underlying shrinkage transformation is either chosen heuristically - without compelling theoretical justification - or optimally in view of restrictive distributional assumptions. In this paper, we propose a principled approach to construct covariance estimators without imposing restrictive assumptions. That is, we study distributionally robust covariance estimation problems that minimize the worst-case Frobenius error with respect to all data distributions close to a nominal distribution, where the proximity of distributions is measured via a divergence on the space of covariance matrices. We identify mild conditions on this divergence under which the resulting minimizers represent shrinkage estimators. We show that the corresponding shrinkage transformations are intimately related to the geometrical properties of the underlying divergence. We also prove that our robust estimators are efficiently computable and asymptotically consistent and that they enjoy finite-sample performance guarantees. We exemplify our general methodology by synthesizing explicit estimators induced by the Kullback-Leibler, Fisher-Rao, and Wasserstein divergences. Numerical experiments based on synthetic and real data show that our robust estimators are competitive with state-of-the-art estimators.
Authors: Ling Li, Yu Ye, Yao Zhou, Bingchuan Jiang, Wei Zeng
Abstract: This work tackles the problem of geo-localization with a new paradigm using a large vision-language model (LVLM) augmented with human inference knowledge. A primary challenge here is the scarcity of data for training the LVLM - existing street-view datasets often contain numerous low-quality images lacking visual clues, and lack any reasoning inference. To address the data-quality issue, we devise a CLIP-based network to quantify the degree of street-view images being locatable, leading to the creation of a new dataset comprising highly locatable street views. To enhance reasoning inference, we integrate external knowledge obtained from real geo-localization games, tapping into valuable human inference capabilities. The data are utilized to train GeoReasoner, which undergoes fine-tuning through dedicated reasoning and location-tuning stages. Qualitative and quantitative evaluations illustrate that GeoReasoner outperforms counterpart LVLMs by more than 25% at country-level and 38% at city-level geo-localization tasks, and surpasses StreetCLIP performance while requiring fewer training resources. The data and code are available at https://github.com/lingli1996/GeoReasoner.
Authors: Lujie Yin, Xing Lv
Abstract: In this study, we explore the application of Physics-Informed Neural Networks (PINNs) to the analysis of bifurcation phenomena in ecological migration models. By integrating the fundamental principles of diffusion-advection-reaction equations with deep learning techniques, we address the complexities of species migration dynamics, particularly focusing on the detection and analysis of Hopf bifurcations. Traditional numerical methods for solving partial differential equations (PDEs) often involve intricate calculations and extensive computational resources, which can be restrictive in high-dimensional problems. In contrast, PINNs offer a more flexible and efficient alternative, bypassing the need for grid discretization and allowing for mesh-free solutions. Our approach leverages the DeepXDE framework, which enhances the computational efficiency and applicability of PINNs in solving high-dimensional PDEs. We validate our results against conventional methods and demonstrate that PINNs not only provide accurate bifurcation predictions but also offer deeper insights into the underlying dynamics of diffusion processes. Despite these advantages, the study also identifies challenges such as the high computational costs and the sensitivity of PINN performance to network architecture and hyperparameter settings. Future work will focus on optimizing these algorithms and expanding their application to other complex systems involving bifurcations. The findings from this research have significant implications for the modeling and analysis of ecological systems, providing a powerful tool for predicting and understanding complex dynamical behaviors.
Authors: Zonghao Chen, Aratrika Mustafi, Pierre Glaser, Anna Korba, Arthur Gretton, Bharath K. Sriperumbudur
Abstract: We introduce a (de)-regularization of the Maximum Mean Discrepancy (DrMMD) and its Wasserstein gradient flow. Existing gradient flows that transport samples from source distribution to target distribution with only target samples, either lack tractable numerical implementation ($f$-divergence flows) or require strong assumptions, and modifications such as noise injection, to ensure convergence (Maximum Mean Discrepancy flows). In contrast, DrMMD flow can simultaneously (i) guarantee near-global convergence for a broad class of targets in both continuous and discrete time, and (ii) be implemented in closed form using only samples. The former is achieved by leveraging the connection between the DrMMD and the $\chi^2$-divergence, while the latter comes by treating DrMMD as MMD with a de-regularized kernel. Our numerical scheme uses an adaptive de-regularization schedule throughout the flow to optimally trade off between discretization errors and deviations from the $\chi^2$ regime. The potential application of the DrMMD flow is demonstrated across several numerical experiments, including a large-scale setting of training student/teacher networks.
Authors: Danial Sharifrazi, Nouman Javed, Javad Hassannataj Joloudari, Roohallah Alizadehsani, Prasad N. Paradkar, Ru-San Tan, U. Rajendra Acharya, Asim Bhatti
Abstract: Human brain neuron activities are incredibly significant nowadays. Neuronal behavior is assessed by analyzing signal data such as electroencephalography (EEG), which can offer scientists valuable information about diseases and human-computer interaction. One of the difficulties researchers confront while evaluating these signals is the existence of large volumes of spike data. Spikes are some considerable parts of signal data that can happen as a consequence of vital biomarkers or physical issues such as electrode movements. Hence, distinguishing types of spikes is important. From this spot, the spike classification concept commences. Previously, researchers classified spikes manually. The manual classification was not precise enough as it involves extensive analysis. Consequently, Artificial Intelligence (AI) was introduced into neuroscience to assist clinicians in classifying spikes correctly. This review discusses the importance and use of AI in spike classification, focusing on the recognition of neural activity noises. The task is divided into three main components: preprocessing, classification, and evaluation. Existing methods are introduced and their importance is determined. The review also highlights the need for more efficient algorithms. The primary goal is to provide a perspective on spike classification for future research and provide a comprehensive understanding of the methodologies and issues involved. The review organizes materials in the spike classification field for future studies. In this work, numerous studies were extracted from different databases. The PRISMA-related research guidelines were then used to choose papers. Then, research studies based on spike classification using machine learning and deep learning approaches with effective preprocessing were selected.
Authors: Shan Xie, Man Luo, Chadly Daniel Stern, Mengnan Du, Lu Cheng
Abstract: Large language models (LLMs) using in-context learning (ICL) excel in many tasks without task-specific fine-tuning. However, demonstration selection and ordering greatly impact ICL effectiveness. Focus on this issue, we propose DemoShapley, a Shapley-value based method that evaluates each demonstration's contribution by measuring its marginal effect across different prompt permutations. To further account for ICL's limited context windows and frequent low-shot settings, we introduce Beta-DemoShapley, a weighted extension that emphasizes the influence of smaller prompt sizes. Experiments on multiple benchmarks show that DemoShapley consistently outperforms existing influence-based selection strategies, while Beta-DemoShapley further improves performance in low-shot scenarios. Both methods also detect mislabeled data, enhance generalization to out-of-distribution tasks, and reduce demographic bias. Together, they provide a unified and robust framework for demonstration valuation in ICL.
Authors: Isack Lee, Haebin Seong
Abstract: Although large language models (LLMs) demonstrate impressive proficiency in various tasks, they present potential safety risks, such as `jailbreaks', where malicious inputs can coerce LLMs into generating harmful content bypassing safety alignments. In this paper, we delve into the ethical biases in LLMs and examine how those biases could be exploited for jailbreaks. Notably, these biases result in a jailbreaking success rate in GPT-4o models that differs by 20\% between non-binary and cisgender keywords and by 16\% between white and black keywords, even when the other parts of the prompts are identical. We introduce the concept of BiasJailbreak, highlighting the inherent risks posed by these safety-induced biases. BiasJailbreak generates biased keywords automatically by asking the target LLM itself, and utilizes the keywords to generate harmful output. Additionally, we propose an efficient defense method BiasDefense, which prevents jailbreak attempts by injecting defense prompts prior to generation. BiasDefense stands as an appealing alternative to Guard Models, such as Llama-Guard, that require additional inference cost after text generation. Our findings emphasize that ethical biases in LLMs can actually lead to generating unsafe output, and suggest a method to make the LLMs more secure and unbiased. To enable further research and improvements, we open-source our code and artifacts of BiasJailbreak, providing the community with tools to better understand and mitigate safety-induced biases in LLMs.
Authors: Alexander Bodard, Konstantinos Oikonomidis, Emanuel Laude, Panagiotis Patrinos
Abstract: This work introduces an unconventional inexact augmented Lagrangian method where the augmenting term is a Euclidean norm raised to a power between one and two. The proposed algorithm is applicable to a broad class of constrained nonconvex minimization problems that involve nonlinear equality constraints. In a first part of this work, we conduct a full complexity analysis of the method under a mild regularity condition, leveraging an accelerated first-order algorithm for solving the H\"older-smooth subproblems. Interestingly, this worst-case result indicates that using lower powers for the augmenting term leads to faster constraint satisfaction, albeit with a slower decrease of the dual residual. Notably, our analysis does not assume boundedness of the iterates. Thereafter, we present an inexact proximal point method for solving the weakly-convex and H\"older-smooth subproblems, and demonstrate that the combined scheme attains an improved rate that reduces to the best-known convergence rate whenever the augmenting term is a classical squared Euclidean norm. Different augmenting terms, involving a lower power, further improve the primal complexity at the cost of the dual complexity. Finally, numerical experiments validate the practical performance of unconventional augmenting terms.
Authors: Andr\'e Storhaug, Jingyue Li
Abstract: Parameter-efficient fine-tuning (PEFT) methods, which fine-tune only a subset of model parameters, offer a promising solution by reducing the computational costs of tuning large language models (LLMs) while maintaining their performance. Existing studies have explored using PEFT and LLMs for various code-related tasks and found that the effectiveness of PEFT techniques is task-dependent. The state-of-the-art is limited to using LLMs with full fine-tuning to generate unit tests. The application of PEFT techniques in unit test generation remains underexplored. This paper investigates both full fine-tuning and various PEFT methods, including LoRA, (IA)^3, and prompt tuning, across thirteen models of different architectures and sizes. We use well-established benchmark datasets to evaluate their effectiveness in unit test generation and measure syntax correctness, CodeBLEU, pass@1, instruction coverage, branch coverage, and mutation score of the generated tests. Our findings show that LoRA can deliver performance comparable to full fine-tuning for unit test generation in several cases. If training costs are valued, prompt tuning is the most cost-effective approach, particularly for large models. However, the models tuned with full fine-tuning or PEFT may generate fewer executable test cases than the baseline model because they generate more tests calling nonexistent methods or having type mismatches. For the generated ones that are executable, the ones from the tuned models show better test coverage than those from the baseline model.
Authors: Navodita Sharma, Vishnu Vinod, Abhradeep Thakurta, Alekh Agarwal, Borja Balle, Christoph Dann, Aravindan Raghuveer
Abstract: The offline reinforcement learning (RL) problem aims to learn an optimal policy from historical data collected by one or more behavioural policies (experts) by interacting with an environment. However, the individual experts may be privacy-sensitive in that the learnt policy may retain information about their precise choices. In some domains like personalized retrieval, advertising and healthcare, the expert choices are considered sensitive data. To provably protect the privacy of such experts, we propose a novel consensus-based expert-level differentially private offline RL training approach compatible with any existing offline RL algorithm. We prove rigorous differential privacy guarantees, while maintaining strong empirical performance. Unlike existing work in differentially private RL, we supplement the theory with proof-of-concept experiments on classic RL environments featuring large continuous state spaces, demonstrating substantial improvements over a natural baseline across multiple tasks.
Authors: Andre Kassis, Urs Hengartner, Yaoliang Yu
Abstract: Diffusion-based purification (DBP) has become a cornerstone defense against adversarial examples (AEs), regarded as robust due to its use of diffusion models (DMs) that project AEs onto the natural data manifold. We refute this core claim, theoretically proving that gradient-based attacks effectively target the DM rather than the classifier, causing DBP's outputs to align with adversarial distributions. This prompts a reassessment of DBP's robustness, accrediting it two critical factors: inaccurate gradients and improper evaluation protocols that test only a single random purification of the AE. We show that when accounting for stochasticity and resubmission risk, DBP collapses. To support this, we introduce DiffBreak, the first reliable toolkit for differentiation through DBP, eliminating gradient mismatches that previously further inflated robustness estimates. We also analyze the current defense scheme used for DBP where classification relies on a single purification, pinpointing its inherent invalidity. We provide a statistically grounded majority-vote (MV) alternative that aggregates predictions across multiple purified copies, showing partial but meaningful robustness gain. We then propose a novel adaptation of an optimization method against deepfake watermarking, crafting systemic perturbations that defeat DBP even under MV, challenging DBP's viability.
Authors: Tenghui Li, Guoxu Zhou, Xuyang Zhao, Qibin Zhao
Abstract: Large language models have demonstrated predictable scaling behaviors with respect to model parameters and training data. This study investigates whether a similar scaling relationship exist for vision-language models with respect to the number of vision tokens. A mathematical framework is developed to characterize a relationship between vision token number and the expected divergence of distance between vision-referencing sequences. The theoretical analysis reveals two distinct scaling regimes: sublinear scaling for less vision tokens and linear scaling for more vision tokens. This aligns with model performance relationships of the form \(S(n) \approx c / n^{\alpha(n)}\), where the scaling exponent relates to the correlation structure between vision token representations. Empirical validations across multiple vision-language benchmarks show that model performance matches the prediction from scaling relationship. The findings contribute to understanding vision token scaling in transformers through a theoretical framework that complements empirical observations.
Authors: Pratik Nag
Abstract: Music generation has emerged as a significant topic in artificial intelligence and machine learning. While recurrent neural networks (RNNs) have been widely employed for sequence generation, generative adversarial networks (GANs) remain relatively underexplored in this domain. This paper presents two systems based on adversarial networks for music generation. The first system learns a set of music pieces without differentiating between styles, while the second system focuses on learning and deviating from specific composers' styles to create innovative music. By extending the Creative Adversarial Networks (CAN) framework to the music domain, this work introduces unrolled CAN to address mode collapse, evaluating both GAN and CAN in terms of creativity and variation.
Authors: Chenhao Li, Andreas Krause, Marco Hutter
Abstract: Learning robust and generalizable world models is crucial for enabling efficient and scalable robotic control in real-world environments. In this work, we introduce a novel framework for learning world models that accurately capture complex, partially observable, and stochastic dynamics. The proposed method employs a dual-autoregressive mechanism and self-supervised training to achieve reliable long-horizon predictions without relying on domain-specific inductive biases, ensuring adaptability across diverse robotic tasks. We further propose a policy optimization framework that leverages world models for efficient training in imagined environments and seamless deployment in real-world systems. This work advances model-based reinforcement learning by addressing the challenges of long-horizon prediction, error accumulation, and sim-to-real transfer. By providing a scalable and robust framework, the introduced methods pave the way for adaptive and efficient robotic systems in real-world applications.
Authors: Muhammed Fadera
Abstract: Recurrent Neural Networks (RNNs) are high-dimensional state space models capable of learning functions on sequence data. Recently, it has been conjectured that reservoir computers, a particular class of RNNs, trained on observations of a dynamical systems can be interpreted as embeddings. This result has been established for the case of linear reservoir systems. In this work, we use a nonautonomous dynamical systems approach to establish an upper bound for the fractal dimension of the subset of reservoir state space approximated during training and prediction phase. We prove that when the input sequences comes from an Nin-dimensional invertible dynamical system, the fractal dimension of this set is bounded above by Nin. The result obtained here are useful in dimensionality reduction of computation in RNNs as well as estimating fractal dimensions of dynamical systems from limited observations of their time series. It is also a step towards understanding embedding properties of reservoir computers.
Authors: Christian Fabian, Kai Cui, Heinz Koeppl
Abstract: Large agent networks are abundant in applications and nature and pose difficult challenges in the field of multi-agent reinforcement learning (MARL) due to their computational and theoretical complexity. While graphon mean field games and their extensions provide efficient learning algorithms for dense and moderately sparse agent networks, the case of realistic sparser graphs remains largely unsolved. Thus, we propose a novel mean field control model inspired by local weak convergence to include sparse graphs such as power law networks with coefficients above two. Besides a theoretical analysis, we design scalable learning algorithms which apply to the challenging class of graph sequences with finite first moment. We compare our model and algorithms for various examples on synthetic and real world networks with mean field algorithms based on Lp graphons and graphexes. As it turns out, our approach outperforms existing methods in many examples and on various networks due to the special design aiming at an important, but so far hard to solve class of MARL problems.
Authors: Zhen Guo, Shanghao Shi, Shamim Yazdani, Ning Zhang, Reza Tourani
Abstract: With the rapid rise of personalized AI, customized large language models (LLMs) equipped with Chain of Thought (COT) reasoning now power millions of AI agents. However, their complex reasoning processes introduce new and largely unexplored security vulnerabilities. We present DarkMind, a novel latent reasoning level backdoor attack that targets customized LLMs by manipulating internal COT steps without altering user queries. Unlike prior prompt based attacks, DarkMind activates covertly within the reasoning chain via latent triggers, enabling adversarial behaviors without modifying input prompts or requiring access to model parameters. To achieve stealth and reliability, we propose dual trigger types instant and retrospective and integrate them within a unified embedding template that governs trigger dependent activation, employ a stealth optimization algorithm to minimize semantic drift, and introduce an automated conversation starter for covert activation across domains. Comprehensive experiments on eight reasoning datasets spanning arithmetic, commonsense, and symbolic domains, using five LLMs, demonstrate that DarkMind consistently achieves high attack success rates. We further investigate defense strategies to mitigate these risks and reveal that reasoning level backdoors represent a significant yet underexplored threat, underscoring the need for robust, reasoning aware security mechanisms.
Authors: Jules Viennot, Guillaume Baudart, Emilio Jes\`us Gallego Arias, Marc Lelarge
Abstract: In this work, we conduct an experiment using state-of-the-art LLMs to translate MiniF2F into Rocq. The translation task focuses on generating a Rocq theorem based on three sources: a natural language description, the Lean formalization, and the Isabelle formalization. We conducted our experiment in 3 stages of increasing complexity, from basic one-shot prompting to multi-turn conversations that incorporate feedback from unsuccessful attempts. At each stage, we perform multiple rounds of translation using increasingly advanced models: GPT-4o mini, Claude 3.5 Sonnet, o1 mini, and o1. We successfully translated 478 out of 488 theorems. The dataset is opensource: https://github.com/LLM4Rocq/miniF2F-rocq.
Authors: Xiaoming Zhao, Alexander G. Schwing
Abstract: Classifier-free guidance has become a staple for conditional generation with denoising diffusion models. However, a comprehensive understanding of classifier-free guidance is still missing. In this work, we carry out an empirical study to provide a fresh perspective on classifier-free guidance. Concretely, instead of solely focusing on classifier-free guidance, we trace back to the root, i.e., classifier guidance, pinpoint the key assumption for the derivation, and conduct a systematic study to understand the role of the classifier. On 1D data, we find that both classifier guidance and classifier-free guidance achieve conditional generation by pushing the denoising diffusion trajectories away from decision boundaries, i.e., areas where conditional information is usually entangled and is hard to learn. To validate this classifier-centric perspective on high-dimensional data, we assess whether a flow-matching postprocessing step that is designed to narrow the gap between a pre-trained diffusion model's learned distribution and the real data distribution, especially near decision boundaries, can improve the performance. Experiments on various datasets verify our classifier-centric understanding.
Authors: Emre Anakok, Pierre Barbillon, Colin Fontaine, Elisa Thebault
Abstract: Pollinators play a crucial role for plant reproduction, either in natural ecosystem or in human-modified landscape. Global change drivers,including climate change or land use modifications, can alter the plant-pollinator interactions. To assess the potential influence of global change drivers on pollination, large-scale interactions, climate and land use data are required. While recent machine learning methods, such as graph neural networks (GNNs), allow the analysis of such datasets, interpreting their results can be challenging. We explore existing methods for interpreting GNNs in order to highlight the effects of various environmental covariates on pollination network connectivity. An extensive simulation study is performed to confirm whether these methods can detect the interactive effect between a covariate and a genus of plant on connectivity, and whether the application of debiasing techniques influences the estimation of these effects. An application on the Spipoll dataset, with and without accounting for sampling effects, highlights the potential impact of land use on network connectivity and shows that accounting for sampling effects partially alters the estimation of these effects.
Authors: Daniele Bracale, Moulinath Banerjee, Cong Shi, Yuekai Sun
Abstract: We consider price competition among multiple sellers over a selling horizon of $T$ periods. In each period, sellers simultaneously offer their prices (which are made public) and subsequently observe their respective demand (not made public). The demand function of each seller depends on all sellers' prices through a private, unknown, and nonlinear relationship. We propose a dynamic pricing policy that uses semi-parametric least-squares estimation and show that when the sellers employ our policy, their prices converge at a rate of $O(T^{-1/7})$ to the Nash equilibrium prices that sellers would reach if they were fully informed. Each seller incurs a regret of $O(T^{5/7})$ relative to a dynamic benchmark policy. A theoretical contribution of our work is proving the existence of equilibrium under shape-constrained demand functions via the concept of $s$-concavity and establishing regret bounds of our proposed policy. Technically, we also establish new concentration results for the least squares estimator under shape constraints. Our findings offer significant insights into dynamic competition-aware pricing and contribute to the broader study of non-parametric learning in strategic decision-making.
Authors: Marc Brinner, Tarek Al Mustafa, Sina Zarrie{\ss}
Abstract: We investigate the use of LLM-generated data for continual pretraining of encoder models in specialized domains with limited training data, using the scientific domain of invasion biology as a case study. To this end, we leverage domain-specific ontologies by enriching them with LLM-generated data and pretraining the encoder model as an ontology-informed embedding model for concept definitions. To evaluate the effectiveness of this method, we compile a benchmark specifically designed for assessing model performance in invasion biology. After demonstrating substantial improvements over standard LLM pretraining, we investigate the feasibility of applying the proposed approach to domains without comprehensive ontologies by substituting ontological concepts with concepts automatically extracted from a small corpus of scientific abstracts and establishing relationships between concepts through distributional statistics. Our results demonstrate that this automated approach achieves comparable performance using only a small set of scientific abstracts, resulting in a fully automated pipeline for enhancing domain-specific understanding of small encoder models that is especially suited for application in low-resource settings and achieves performance comparable to masked language modeling pretraining on much larger datasets.
Authors: Aske Plaat, Max van Duijn, Niki van Stein, Mike Preuss, Peter van der Putten, Kees Joost Batenburg
Abstract: Background: There is great interest in agentic LLMs, large language models that act as agents. Objectives: We review the growing body of work in this area and provide a research agenda. Methods: Agentic LLMs are LLMs that (1) reason, (2) act, and (3) interact. We organize the literature according to these three categories. Results: The research in the first category focuses on reasoning, reflection, and retrieval, aiming to improve decision making; the second category focuses on action models, robots, and tools, aiming for agents that act as useful assistants; the third category focuses on multi-agent systems, aiming for collaborative task solving and simulating interaction to study emergent social behavior. We find that works mutually benefit from results in other categories: retrieval enables tool use, reflection improves multi-agent collaboration, and reasoning benefits all categories. Conclusions: We discuss applications of agentic LLMs and provide an agenda for further research. Important applications are in medical diagnosis, logistics and financial market analysis. Meanwhile, self-reflective agents playing roles and interacting with one another augment the process of scientific research itself. Further, agentic LLMs provide a solution for the problem of LLMs running out of training data: inference-time behavior generates new training states, such that LLMs can keep learning without needing ever larger datasets. We note that there is risk associated with LLM assistants taking action in the real world-safety, liability and security are open problems-while agentic LLMs are also likely to benefit society.
Authors: Xiao Zhang, Guanyu Chen, Boyang Zuo, Feng Li, Pengjie Wang, Jian Xu, Bo Zheng
Abstract: Query-to-bidword(i.e., bidding keyword) rewriting is fundamental to sponsored search, transforming noisy user queries into semantically relevant and commercially valuable keywords. Recent advances in large language models (LLMs) improve semantic relevance through generative retrieval frameworks, but they rarely encode the commercial value of keywords. As a result, rewrites are often semantically correct yet economically suboptimal, and a reinforcement learning from human feedback (RLHF) stage is usually added after supervised fine-tuning(SFT) to mitigate this deficiency. However, conventional preference alignment frequently overemphasize the ordering of bidword values and is susceptible to overfitting, which degrades rewrite quality. In addition, bidword value changes rapidly, while existing generative methods do not respond to these fluctuations. To address this shortcoming, we introduce VALUE(Value-Aware Large language model for qUery rewriting via wEighted trie), a framework that integrates value awareness directly into generation and enhances value alignment during training. VALUE employs the Weighted Trie, a novel variant of the classical trie that stores real-time value signals for each token. During decoding, the framework adjusts the LLM's token probabilities with these signals, constraining the search space and steering generation toward high-value rewrites. The alignment stage uses a fine-grained preference learning strategy that emphasizes stable, high-value differences and down-weights noisy or transient fluctuations, thereby improving robustness and reducing overfitting. Offline experiments show that VALUE significantly outperforms baselines in both semantic matching and value-centric metrics. VALUE has been deployed on our advertising system since October 2024 and served the Double Eleven promotions, the biggest shopping carnival in China.
Authors: Jonathan Embley-Riches, Jianwei Liu, Simon Julier, Dimitrios Kanoulas
Abstract: High-fidelity simulation is essential for robotics research, enabling safe and efficient testing of perception, control, and navigation algorithms. However, achieving both photorealistic rendering and accurate physics modeling remains a challenge. This paper presents a novel simulation framework, the Unreal Robotics Lab (URL), that integrates the advanced rendering capabilities of the Unreal Engine with MuJoCo's high-precision physics simulation. Our approach enables realistic robotic perception while maintaining accurate physical interactions, facilitating benchmarking and dataset generation for vision-based robotics applications. The system supports complex environmental effects, such as smoke, fire, and water dynamics, which are critical to evaluating robotic performance under adverse conditions. We benchmark visual navigation and SLAM methods within our framework, demonstrating its utility for testing real-world robustness in controlled yet diverse scenarios. By bridging the gap between physics accuracy and photorealistic rendering, our framework provides a powerful tool for advancing robotics research and sim-to-real transfer. Our open-source framework is available at https://unrealroboticslab.github.io/.
Authors: Zakaria Lamine, Abdelatif Hafid, Mohamed Rahouti, My Ismail Mamouni
Abstract: We present a machine learning approach that leverages persistent homology to classify bacterial flagellar motors into two functional states: rotated and stalled. By embedding protein structural data into a topological framework, we extract multiscale features from filtered simplicial complexes constructed over atomic coordinates. These topological invariants, specifically persistence diagrams and barcodes, capture critical geometric and connectivity patterns that correlate with motor function. The extracted features are vectorized and integrated into a machine learning pipeline that includes dimensionality reduction and supervised classification. Applied to a curated dataset of experimentally characterized flagellar motors from diverse bacterial species, our model demonstrates high classification accuracy and robustness to structural variation. This approach highlights the power of topological data analysis in revealing functionally relevant patterns beyond the reach of traditional geometric descriptors, offering a novel computational tool for protein function prediction.
Authors: Sarad Venugopalan, Sridhar Adepu
Abstract: The continuous monitoring of the interactions between cyber-physical components of any industrial control system (ICS) is required to secure automation of the system controls, and to guarantee plant processes are fail-safe and remain in an acceptably safe state. Safety is achieved by managing actuation (where electric signals are used to trigger physical movement), dependent on corresponding sensor readings; used as ground truth in decision making. Timely detection of anomalies (attacks, faults and unascertained states) in ICSs is crucial for the safe running of a plant, the safety of its personnel, and for the safe provision of any services provided. We propose an anomaly detection method that involves accurate linearization of the non-linear forms arising from sensor-actuator(s) relationships, primarily because solving linear models is easier and well understood. We accomplish this by using a well-known water treatment testbed as a use case. Our experiments show millisecond time response to detect anomalies, all of which are explainable and traceable; this simultaneous coupling of detection speed and explainability has not been achieved by other state of the art Artificial Intelligence (AI)/ Machine Learning (ML) models with eXplainable AI (XAI) used for the same purpose. Our methods explainability enables us to pin-point the sensor(s) and the actuation state(s) for which the anomaly was detected. The proposed algorithm showed an accuracy of 97.72% by flagging deviations within safe operation limits as non-anomalous; indicative that slower detectors with highest detection resolution is unnecessary, for systems whose safety boundaries provide leeway within safety limits.
Authors: Noriaki Hirose, Lydia Ignatova, Kyle Stachowicz, Catherine Glossop, Sergey Levine, Dhruv Shah
Abstract: Developing broadly generalizable visual navigation policies for robots is a significant challenge, primarily constrained by the availability of large-scale, diverse training data. While curated datasets collected by researchers offer high quality, their limited size restricts policy generalization. To overcome this, we explore leveraging abundant, passively collected data sources, including large volumes of crowd-sourced teleoperation data and unlabeled YouTube videos, despite their potential for lower quality or missing action labels. We propose Model-Based ReAnnotation (MBRA), a framework that utilizes a learned short-horizon, model-based expert model to relabel or generate high-quality actions for these passive datasets. This relabeled data is then distilled into LogoNav, a long-horizon navigation policy conditioned on visual goals or GPS waypoints. We demonstrate that LogoNav, trained using MBRA-processed data, achieves state-of-the-art performance, enabling robust navigation over distances exceeding 300 meters in previously unseen indoor and outdoor environments. Our extensive real-world evaluations, conducted across a fleet of robots (including quadrupeds) in six cities on three continents, validate the policy's ability to generalize and navigate effectively even amidst pedestrians in crowded settings.
Authors: Zeynep Engin, David Hand
Abstract: As AI systems evolve from static tools to dynamic agents, traditional categorical governance frameworks -- based on fixed risk tiers, levels of autonomy, or human oversight models -- are increasingly insufficient on their own. Systems built on foundation models, self-supervised learning, and multi-agent architectures increasingly blur the boundaries that categories were designed to police. In this Perspective, we make the case for dimensional governance: a framework that tracks how decision authority, process autonomy, and accountability (the 3As) distribute dynamically across human-AI relationships. A critical advantage of this approach is its ability to explicitly monitor system movement toward and across key governance thresholds, enabling preemptive adjustments before risks materialize. This dimensional approach provides the necessary foundation for more adaptive categorization, enabling thresholds and classifications that can evolve with emerging capabilities. While categories remain essential for decision-making, building them upon dimensional foundations allows for context-specific adaptability and stakeholder-responsive governance that static approaches cannot achieve. We outline key dimensions, critical trust thresholds, and practical examples illustrating where rigid categorical frameworks fail -- and where a dimensional mindset could offer a more resilient and future-proof path forward for both governance and innovation at the frontier of artificial intelligence.
Authors: Fanqi Yan, Huy Nguyen, Dung Le, Pedram Akbarian, Nhat Ho, Alessandro Rinaldo
Abstract: The softmax-contaminated mixture of experts (MoE) model is deployed when a large-scale pre-trained model, which plays the role of a fixed expert, is fine-tuned for learning downstream tasks by including a new contamination part, or prompt, functioning as a new, trainable expert. Despite its popularity and relevance, the theoretical properties of the softmax-contaminated MoE have remained unexplored in the literature. In the paper, we study the convergence rates of the maximum likelihood estimator of gating and prompt parameters in order to gain insights into the statistical properties and potential challenges of fine-tuning with a new prompt. We find that the estimability of these parameters is compromised when the prompt acquires overlapping knowledge with the pre-trained model, in the sense that we make precise by formulating a novel analytic notion of distinguishability. Under distinguishability of the pre-trained and prompt models, we derive minimax optimal estimation rates for all the gating and prompt parameters. By contrast, when the distinguishability condition is violated, these estimation rates become significantly slower due to their dependence on the prompt convergence rate to the pre-trained model. Finally, we empirically corroborate our theoretical findings through several numerical experiments.
Authors: Alejandro Murillo-Gonzalez, Lantao Liu
Abstract: Autonomous robots operating in complex, unstructured environments face significant challenges due to latent, unobserved factors that obscure their understanding of both their internal state and the external world. Addressing this challenge would enable robots to develop a more profound grasp of their operational context. To tackle this, we propose a novel framework for online learning of hidden state representations, with which the robots can adapt in real-time to uncertain and dynamic conditions that would otherwise be ambiguous and result in suboptimal or erroneous behaviors. Our approach is formalized as a Generalized Hidden Parameter Markov Decision Process, which explicitly models the influence of unobserved parameters on both transition dynamics and reward structures. Our core innovation lies in learning online the joint distribution of state transitions, which serves as an expressive representation of latent ego- and environmental-factors. This probabilistic approach supports the identification and adaptation to different operational situations, improving robustness and safety. Through a multivariate extension of Bayesian Online Changepoint Detection, our method segments changes in the underlying data generating process governing the robot's dynamics. The robot's transition model is then informed with a symbolic representation of the current situation derived from the joint distribution of latest state transitions, enabling adaptive and context-aware decision-making. To showcase the real-world effectiveness, we validate our approach in the challenging task of unstructured terrain navigation, where unmodeled and unmeasured terrain characteristics can significantly impact the robot's motion. Extensive experiments in both simulation and real world reveal significant improvements in data efficiency, policy performance, and the emergence of safer, adaptive navigation strategies.
Authors: Ziju Shen, Naohao Huang, Fanyi Yang, Yutong Wang, Guoxiong Gao, Tianyi Xu, Jiedong Jiang, Wanyi He, Pu Yang, Mengzhou Sun, Haocheng Ju, Peihao Wu, Bryan Dai, Bin Dong
Abstract: Nowadays, formal theorem provers have made monumental progress on high-school and competition-level mathematics, but few of them generalize to more advanced mathematics. In this paper, we present REAL-Prover, a new open-source stepwise theorem prover for Lean 4 to push this boundary. This prover, based on our fine-tuned large language model (REAL-Prover-v1) and integrated with a retrieval system (Leansearch-PS), notably boosts performance on solving college-level mathematics problems. To train REAL-Prover-v1, we developed HERALD-AF, a data extraction pipeline that converts natural language math problems into formal statements, and a new open-source Lean 4 interactive environment (Jixia-interactive) to facilitate synthesis data collection. In our experiments, our prover using only supervised fine-tune achieves competitive results with a 23.7% success rate (Pass@64) on the ProofNet dataset-comparable to state-of-the-art (SOTA) models. To further evaluate our approach, we introduce FATE-M, a new benchmark focused on algebraic problems, where our prover achieves a SOTA success rate of 56.7% (Pass@64).
Authors: Yida Xue, Zhen Bi, Jinnan Yang, Jungang Lou, Kehai Chen, Min Zhang, Huajun Chen, Ningyu Zhang
Abstract: Recent advances in Multimodal Large Language Models (MLLMs) have significantly enhanced their capabilities; however, their spatial perception abilities remain a notable limitation. To address this challenge, multimodal data synthesis offers a promising solution. Yet, ensuring that synthesized data adhere to spatial common sense is a non-trivial task. Our approach addresses this critical gap by providing a systematic framework for generating spatially coherent data. In this work, we introduce SKG2DATA, a novel multimodal synthesis approach guided by spatial knowledge graphs, grounded in the concept of knowledge-to-data generation. SKG2DATA employs an automated pipeline for constructing Spatial Knowledge Graph (SKG) that effectively captures human-like spatial cognition, including directional and distance relationships. These structured representations then serve as precise guidance for our integrated synthesis pipeline, where a diffusion model generates spatially-consistent images while a MLLM produces corresponding textual descriptions. The automated construction of SKG enables scalable generation of diverse yet realistic spatial configurations, overcoming the limitations of manual data collection and annotation. Extensive experiments demonstrate that data synthesized from diverse types of spatial knowledge, including direction and distance, enhance the spatial perception and reasoning abilities of MLLMs markedly, albeit with a slight cost to their general capabilities. We hope that the idea of knowledge-based data synthesis can advance the development of spatial intelligence. Code is available at https://github.com/zjunlp/Knowledge2Data.
Authors: Xiaoyuan Wu, Weiran Lin, Omer Akgul, Lujo Bauer
Abstract: Large language models (LLMs) are prone to hallucinations and sensitive to prompt perturbations, often resulting in inconsistent or unreliable generated text. Different methods have been proposed to mitigate such hallucinations and fragility, one of which is to measure the consistency of LLM responses -- the model's confidence in the response or likelihood of generating a similar response when resampled. In previous work, measuring LLM response consistency often relied on calculating the probability of a response appearing within a pool of resampled responses, analyzing internal states, or evaluating logits of responses. However, it was not clear how well these approaches approximated users' perceptions of consistency of LLM responses. To find out, we performed a user study ($n=2,976$) demonstrating that current methods for measuring LLM response consistency typically do not align well with humans' perceptions of LLM consistency. We propose a logit-based ensemble method for estimating LLM consistency and show that our method matches the performance of the best-performing existing metric in estimating human ratings of LLM consistency. Our results suggest that methods for estimating LLM consistency without human evaluation are sufficiently imperfect to warrant broader use of evaluation with human input; this would avoid misjudging the adequacy of models because of the imperfections of automated consistency metrics.
Authors: Guillaume Levy, Cedric Colas, Pierre-Yves Oudeyer, Thomas Carta, Clement Romac
Abstract: Large Language Models (LLMs) possess general world knowledge but often struggle to generate precise predictions in structured, domain-specific contexts such as simulations. These limitations arise from their inability to ground their broad, unstructured understanding in specific environments. To address this, we present WorldLLM, a framework that enhances LLM-based world modeling by combining Bayesian inference and autonomous active exploration with reinforcement learning. WorldLLM leverages the in-context learning abilities of LLMs to guide an LLM-based world model's predictions using natural language hypotheses given in its prompt. These hypotheses are iteratively refined through a Bayesian inference framework that leverages a second LLM as the proposal distribution given collected evidence. This evidence is collected using a curiosity-driven reinforcement learning policy that explores the environment to find transitions with a low log-likelihood under our LLM-based predictive model using the current hypotheses. By alternating between refining hypotheses and collecting new evidence, our framework autonomously drives continual improvement of the predictions. Our experiments demonstrate the effectiveness of WorldLLM in a textual game environment that requires agents to manipulate and combine objects. The framework not only enhances predictive accuracy, but also generates human-interpretable theories of environment dynamics.
Authors: Taesoo Park, Mungwi Jeong, Mingyu Park, Narae Kim, Junyoung Kim, Mujung Kim, Jisang Yoo, Hoyun Lee, Sanghoon Kim, Soonchul Kwon
Abstract: This paper presents a tutorial-style survey and implementation guide of BemaGANv2, an advanced GANbased vocoder designed for high-fidelity and long-term audio generation. Long-term audio generation is critical for applications in Text-to-Music (TTM) and Text-to-Audio (TTA) systems, where maintaining temporal coherence, prosodic consistency, and harmonic structure over extended durations remains a significant challenge. Built upon the original BemaGAN architecture, BemaGANv2 incorporates major architectural innovations by replacing traditional ResBlocks in the generator with the Anti-aliased Multi-Periodicity composition (AMP) module, which internally applies the Snake activation function to better model periodic structures. In the discriminator framework, we integrate the Multi-Envelope Discriminator (MED), a novel architecture we proposed, to extract rich temporal envelope features crucial for periodicity detection. Coupled with the Multi-Resolution Discriminator (MRD), this combination enables more accurate modeling of long-range dependencies in audio. We systematically evaluate various discriminator configurations, including Multi-Scale Discriminator (MSD) + MED, MSD + MRD, and Multi-Period Discriminator (MPD) + MED + MRD, using objective metrics (Fr\'echet Audio Distance (FAD), Structural Similarity Index (SSIM), Pearson Correlation Coefficient (PCC), Mel-Cepstral Distortion (MCD)) and subjective evaluations (MOS, SMOS). This paper also provides a comprehensive tutorial on the model architecture, training methodology, and implementation to promote reproducibility. The code and pre-trained models are available at: https://github.com/dinhoitt/BemaGANv2.
Authors: Pratik Worah
Abstract: We design an efficient algorithm that outputs tests for identifying predominantly homogeneous subcohorts of patients from large in-homogeneous datasets. Our theoretical contribution is a rounding technique, similar to that of Goemans and Wiliamson (1995), that approximates the optimal solution within a factor of $0.82$. As an application, we use our algorithm to trade-off sensitivity for specificity to systematically identify clinically interesting homogeneous subcohorts of patients in the RNA microarray dataset for breast cancer from Curtis et al. (2012). One such clinically interesting subcohort suggests a link between LXR over-expression and BRCA2 and MSH6 methylation levels for patients in that subcohort.
Authors: Lincan Li, Eren Erman Ozguven, Yue Zhao, Guang Wang, Yiqun Xie, Yushun Dong
Abstract: Accurate typhoon track forecasting is crucial for early system warning and disaster response. While Transformer-based models have demonstrated strong performance in modeling the temporal dynamics of dense trajectories of humans and vehicles in smart cities, they usually lack access to broader contextual knowledge that enhances the forecasting reliability of sparse meteorological trajectories, such as typhoon tracks. To address this challenge, we propose TyphoFormer, a novel framework that incorporates natural language descriptions as auxiliary prompts to improve typhoon trajectory forecasting. For each time step, we use Large Language Model (LLM) to generate concise textual descriptions based on the numerical attributes recorded in the North Atlantic hurricane database. The language descriptions capture high-level meteorological semantics and are embedded as auxiliary special tokens prepended to the numerical time series input. By integrating both textual and sequential information within a unified Transformer encoder, TyphoFormer enables the model to leverage contextual cues that are otherwise inaccessible through numerical features alone. Extensive experiments are conducted on HURDAT2 benchmark, results show that TyphoFormer consistently outperforms other state-of-the-art baseline methods, particularly under challenging scenarios involving nonlinear path shifts and limited historical observations.
Authors: Timoteo Kelly, Abdulkadir Korkmaz, Samuel Mallet, Connor Souders, Sadra Aliakbarpour, Praveen Rao
Abstract: Background: User reviews of Telehealth and Patient Portal mobile applications (apps) hereon referred to as electronic health (eHealth) apps are a rich source of unsolicited patient feedback, revealing critical insights into patient perceptions. However, the lack of large-scale, annotated datasets specific to privacy and trust has limited the ability of researchers to systematically analyze these concerns using natural language processing (NLP) techniques. Objective: This study aims to develop and benchmark Health App Reviews for Privacy & Trust (HARPT), a large-scale annotated corpus of patient reviews from eHealth apps to advance research in patient privacy and trust. Methods: We employed a multistage data construction strategy. This integrated keyword-based filtering, iterative manual labeling with review, targeted data augmentation, and weak supervision using transformer-based classifiers. A curated subset of 7,000 reviews was manually annotated to support machine learning model development and evaluation. The resulting dataset was used to benchmark a broad range of models. Results: The HARPT corpus comprises 480,000 patient reviews annotated across seven categories capturing critical aspects of trust in the application (TA), trust in the provider (TP), and privacy concerns (PC). We provide comprehensive benchmark performance for a range of machine learning models on the manually annotated subset, establishing a baseline for future research. Conclusions: The HARPT corpus is a significant resource for advancing the study of privacy and trust in the eHealth domain. By providing a large-scale, annotated dataset and initial benchmarks, this work supports reproducible research in usable privacy and trust within health informatics. HARPT is released under an open resource license.
Authors: Haoze Wu, Yunzhi Yao, Wenhao Yu, Ningyu Zhang
Abstract: Large Language Models (LLMs) exhibit remarkable code generation capabilities but falter when adapting to frequent updates in external library APIs. This critical limitation, stemming from reliance on outdated API knowledge from their training data, even with access to current documentation, impedes reliable code generation in dynamic environments. To tackle this issue, we propose ReCode (rule-based Reinforcement learning for Code Update), a novel framework that mimics human programmer adaptation to API changes. Specifically, we construct a dataset of approximately 2,000 data entries to train the LLMs to perform version migration based on updated information. Then, we introduce a modified string similarity metric for code evaluation as the reward for reinforcement learning. Our experiments demonstrate that ReCode substantially boosts LLMs' code generation performance in dynamic API scenarios, especially on the unseen CodeUpdateArena task. Crucially, compared to supervised fine-tuning, ReCode has less impact on LLMs' general code generation abilities. We apply ReCode on various LLMs and reinforcement learning algorithms (GRPO and DAPO), all achieving consistent improvements. Notably, after training, Qwen2.5-Coder-7B outperforms that of the 32B parameter code instruction-tuned model and the reasoning model with the same architecture. Code is available at https://github.com/zjunlp/ReCode.
Authors: Edmund Ross, Claudia Drygala, Leonhard Schwarz, Samir Kaiser, Francesca di Mare, Tobias Breiten, Hanno Gottschalk
Abstract: In this work, we explore the use of compact latent representations with learned time dynamics ('World Models') to simulate physical systems. Drawing on concepts from control theory, we propose a theoretical framework that explains why projecting time slices into a low-dimensional space and then concatenating to form a history ('Tokenization') is so effective at learning physics datasets, and characterise when exactly the underlying dynamics admit a reconstruction mapping from the history of previous tokenized frames to the next. To validate these claims, we develop a sequence of models with increasing complexity, starting with least-squares regression and progressing through simple linear layers, shallow adversarial learners, and ultimately full-scale generative adversarial networks (GANs). We evaluate these models on a variety of datasets, including modified forms of the heat and wave equations, the chaotic regime 2D Kuramoto-Sivashinsky equation, and a challenging computational fluid dynamics (CFD) dataset of a 2D K\'arm\'an vortex street around a fixed cylinder, where our model is successfully able to recreate the flow.
Authors: Youpeng Li, Weiliang Qi, Xuyu Wang, Fuxun Yu, Xinda Wang
Abstract: The rapid advancement of pre-trained language models (PLMs) has demonstrated promising results for various code-related tasks. However, their effectiveness in detecting real-world vulnerabilities remains a critical challenge. While existing empirical studies evaluate PLMs for vulnerability detection (VD), they suffer from data leakage, limited scope, and superficial analysis, hindering the accuracy and comprehensiveness of evaluations. This paper begins by revisiting the common issues in existing research on PLMs for VD through the evaluation pipeline. It then proceeds with an accurate and extensive evaluation of 18 PLMs on high-quality datasets that feature accurate labeling, diverse vulnerability types, and various projects. Specifically, we compare the performance of PLMs under both fine-tuning and prompt engineering, assess their effectiveness and generalizability across various training and testing settings, and analyze their robustness to a series of perturbations. Our findings reveal that PLMs incorporating pre-training tasks designed to capture the syntactic and semantic patterns of code outperform both general-purpose PLMs and those solely pre-trained or fine-tuned on large code corpora. However, these models face notable challenges in real-world scenarios, such as difficulties in detecting vulnerabilities with complex dependencies, handling perturbations introduced by code normalization and abstraction, and identifying semantic-preserving vulnerable code transformations. Also, the truncation caused by the limited context windows of PLMs can lead to a non-negligible number of labeling errors, which is overlooked by previous work. This study underscores the importance of thorough evaluations of model performance in practical scenarios and outlines future directions to help enhance the effectiveness of PLMs for realistic VD applications.
Authors: Brennen A. Hill, Mant Koh En Wei, Thangavel Jishnuanandh
Abstract: Robust coordination is critical for effective decision-making in multi-agent systems, especially under partial observability. A central question in Multi-Agent Reinforcement Learning (MARL) is whether to engineer communication protocols or learn them end-to-end. We investigate this dichotomy using embodied world models. We propose and compare two communication strategies for a cooperative task-allocation problem. The first, Learned Direct Communication (LDC), learns a protocol end-to-end. The second, Intention Communication, uses an engineered inductive bias: a compact, learned world model, the Imagined Trajectory Generation Module (ITGM), which uses the agent's own policy to simulate future states. A Message Generation Network (MGN) then compresses this plan into a message. We evaluate these approaches on goal-directed interaction in a grid world, a canonical abstraction for embodied AI problems, while scaling environmental complexity. Our experiments reveal that while emergent communication is viable in simple settings, the engineered, world model-based approach shows superior performance, sample efficiency, and scalability as complexity increases. These findings advocate for integrating structured, predictive models into MARL agents to enable active, goal-driven coordination.
Authors: Brennen A. Hill, Zhang Xinyu, Timothy Putra Prasetio
Abstract: Despite their success, modern convolutional neural networks (CNNs) exhibit fundamental limitations, including data inefficiency, poor out-of-distribution generalization, and vulnerability to adversarial perturbations. These shortcomings can be traced to a lack of inductive biases that reflect the inherent geometric structure of the visual world. The primate visual system, in contrast, demonstrates superior efficiency and robustness, suggesting that its architectural and computational principles,which evolved to internalize these structures,may offer a blueprint for more capable artificial vision. This paper introduces Visual Cortex Network (VCNet), a novel neural network architecture whose design is informed by the macro-scale organization of the primate visual cortex. VCNet is framed as a geometric framework that emulates key biological mechanisms, including hierarchical processing across distinct cortical areas, dual-stream information segregation for learning disentangled representations, and top-down predictive feedback for representation refinement. We interpret these mechanisms through the lens of geometry and dynamical systems, positing that they guide the learning of structured, low-dimensional neural manifolds. We evaluate VCNet on two specialized benchmarks: the Spots-10 animal pattern dataset, which probes sensitivity to natural textures, and a light field image classification task, which requires processing higher-dimensional visual data. Our results show that VCNet achieves state-of-the-art accuracy of 92.1\% on Spots-10 and 74.4\% on the light field dataset, surpassing contemporary models of comparable size. This work demonstrates that integrating high-level neuroscientific principles, viewed through a geometric lens, can lead to more efficient and robust models, providing a promising direction for addressing long-standing challenges in machine learning.
Authors: Md Rakibul Hasan, Md Zakir Hossain, Aneesh Krishna, Shafin Rahman, Tom Gedeon
Abstract: Noisy self-reported empathy scores challenge supervised learning for empathy regression. While many algorithms have been proposed for learning with noisy labels in textual classification problems, the regression counterpart is relatively under-explored. We propose UPLME, an uncertainty-aware probabilistic language modelling framework to capture label noise in empathy regression tasks. One of the novelties in UPLME is a probabilistic language model that predicts both empathy scores and heteroscedastic uncertainty, and is trained using Bayesian concepts with variational model ensembling. We further introduce two novel loss components: one penalises degenerate Uncertainty Quantification (UQ), and another enforces similarity between the input pairs on which empathy is being predicted. UPLME achieves state-of-the-art performance (Pearson Correlation Coefficient: $0.558\rightarrow0.580$ and $0.629\rightarrow0.634$) in terms of the performance reported in the literature on two public benchmarks with label noise. Through synthetic label noise injection, we demonstrate that UPLME is effective in distinguishing between noisy and clean samples based on the predicted uncertainty. UPLME further outperform (Calibration error: $0.571\rightarrow0.376$) a recent variational model ensembling-based UQ method designed for regression problems. Code is publicly available at https://github.com/hasan-rakibul/UPLME.
Authors: Zhanye Luo, Yuefeng Han, Xiufan Yu
Abstract: This paper studies the problem of dimension reduction, tailored to improving time series forecasting with high-dimensional predictors. We propose a novel Supervised Deep Dynamic Principal component analysis (SDDP) framework that incorporates the target variable and lagged observations into the factor extraction process. Assisted by a temporal neural network, we construct target-aware predictors by scaling the original predictors in a supervised manner, with larger weights assigned to predictors with stronger forecasting power. A principal component analysis is then performed on the target-aware predictors to extract the estimated SDDP factors. This supervised factor extraction not only improves predictive accuracy in the downstream forecasting task but also yields more interpretable and target-specific latent factors. Building upon SDDP, we propose a factor-augmented nonlinear dynamic forecasting model that unifies a broad family of factor-model-based forecasting approaches. To further demonstrate the broader applicability of SDDP, we extend our studies to a more challenging scenario when the predictors are only partially observable. We validate the empirical performance of the proposed method on several real-world public datasets. The results show that our algorithm achieves notable improvements in forecasting accuracy compared to state-of-the-art methods.
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: Boyu Chen, Siran Chen, Zhengrong Yue, Kainan Yan, Chenyun Yu, Beibei Kong, Cheng Lei, Chengxiang Zhuo, Zang Li, Yali Wang
Abstract: User feedback is critical for refining recommendation systems, yet explicit feedback (e.g., likes or dislikes) remains scarce in practice. As a more feasible alternative, inferring user preferences from massive implicit feedback has shown great potential (e.g., a user quickly skipping a recommended video usually indicates disinterest). Unfortunately, implicit feedback is often noisy: a user might skip a video due to accidental clicks or other reasons, rather than disliking it. Such noise can easily misjudge user interests, thereby undermining recommendation performance. To address this issue, we propose a novel Group-aware User Behavior Simulation (G-UBS) paradigm, which leverages contextual guidance from relevant user groups, enabling robust and in-depth interpretation of implicit feedback for individual users. Specifically, G-UBS operates via two key agents. First, the User Group Manager (UGM) effectively clusters users to generate group profiles utilizing a ``summarize-cluster-reflect" workflow based on LLMs. Second, the User Feedback Modeler (UFM) employs an innovative group-aware reinforcement learning approach, where each user is guided by the associated group profiles during the reinforcement learning process, allowing UFM to robustly and deeply examine the reasons behind implicit feedback. To assess our G-UBS paradigm, we have constructed a Video Recommendation benchmark with Implicit Feedback (IF-VR). To the best of our knowledge, this is the first multi-modal benchmark for implicit feedback evaluation in video recommendation, encompassing 15k users, 25k videos, and 933k interaction records with implicit feedback. Extensive experiments on IF-VR demonstrate that G-UBS significantly outperforms mainstream LLMs and MLLMs, with a 4.0% higher proportion of videos achieving a play rate > 30% and 14.9% higher reasoning accuracy on IF-VR.
Authors: Abrar Rahman Abir, Sajib Acharjee Dip, Liqing Zhang
Abstract: Understanding gene perturbation effects across diverse cellular contexts is a central challenge in functional genomics, with important implications for therapeutic discovery and precision medicine. Single-cell technologies enable high-resolution measurement of transcriptional responses, but collecting such data is costly and time-consuming, especially when repeated for each cell type. Existing computational methods often require separate models per cell type, limiting scalability and generalization. We present CFM-GP, a method for cell type-agnostic gene perturbation prediction. CFM-GP learns a continuous, time-dependent transformation between unperturbed and perturbed gene expression distributions, conditioned on cell type, allowing a single model to predict across all cell types. Unlike prior approaches that use discrete modeling, CFM-GP employs a flow matching objective to capture perturbation dynamics in a scalable manner. We evaluate on five datasets: SARS-CoV-2 infection, IFN-beta stimulated PBMCs, glioblastoma treated with Panobinostat, lupus under IFN-beta stimulation, and Statefate progenitor fate mapping. CFM-GP consistently outperforms state-of-the-art baselines in R-squared and Spearman correlation, and pathway enrichment analysis confirms recovery of key biological pathways. These results demonstrate the robustness and biological fidelity of CFM-GP as a scalable solution for cross-cell type gene perturbation prediction.
Authors: Justin Jung
Abstract: Generating realistic sparse multi-category 3D voxel structures is difficult due to the cubic memory scaling of voxel structures and moreover the significant class imbalance caused by sparsity. We introduce Scaffold Diffusion, a generative model designed for sparse multi-category 3D voxel structures. By treating voxels as tokens, Scaffold Diffusion uses a discrete diffusion language model to generate 3D voxel structures. We show that discrete diffusion language models can be extended beyond inherently sequential domains such as text to generate spatially coherent 3D structures. We evaluate on Minecraft house structures from the 3D-Craft dataset and demonstrate that, unlike prior baselines and an auto-regressive formulation, Scaffold Diffusion produces realistic and coherent structures even when trained on data with over 98% sparsity. We provide an interactive viewer where readers can visualize generated samples and the generation process: https://scaffold.deepexploration.org/
Authors: Uwe D. Hanebeck
Abstract: We propose a recursive particle filter for high-dimensional problems that inherently never degenerates. The state estimate is represented by deterministic low-discrepancy particle sets. We focus on the measurement update step, where a likelihood function is used for representing the measurement and its uncertainty. This likelihood is progressively introduced into the filtering procedure by homotopy continuation over an artificial time. A generalized Cram\'er distance between particle sets is derived in closed form that is differentiable and invariant to particle order. A Newton flow then continually minimizes this distance over artificial time and thus smoothly moves particles from prior to posterior density. The new filter is surprisingly simple to implement and very efficient. It just requires a prior particle set and a likelihood function, never estimates densities from samples, and can be used as a plugin replacement for classic approaches.
Authors: Darius A. Faroughy, Manfred Opper, Cesar Ojeda
Abstract: Generative modeling of high-energy collisions at the Large Hadron Collider (LHC) offers a data-driven route to simulations, anomaly detection, among other applications. A central challenge lies in the hybrid nature of particle-cloud data: each particle carries continuous kinematic features and discrete quantum numbers such as charge and flavor. We introduce a transformer-based multimodal flow that extends flow-matching with a continuous-time Markov jump bridge to jointly model LHC jets with both modalities. Trained on CMS Open Data, our model can generate high fidelity jets with realistic kinematics, jet substructure and flavor composition.
Authors: Wu Lin, Scott C. Lowe, Felix Dangel, Runa Eschenhagen, Zikun Xu, Roger B. Grosse
Abstract: Shampoo and its efficient variant, SOAP, employ structured second-moment estimations and have shown strong performance for training neural networks (NNs). In practice, however, Shampoo typically requires step-size grafting with Adam to be competitive, and SOAP mitigates this by applying Adam in Shampoo's eigenbasis -- at the cost of additional memory overhead from Adam in both methods. Prior analyses have largely relied on the Frobenius norm to motivate these estimation schemes. We instead recast their estimation procedures as covariance estimation under Kullback-Leibler (KL) divergence minimization, revealing a previously overlooked theoretical limitation and motivating principled redesigns. Building on this perspective, we develop $\textbf{KL-Shampoo}$ and $\textbf{KL-SOAP}$, practical schemes that match or exceed the performance of Shampoo and SOAP in NN pre-training while achieving SOAP-level per-iteration runtime. Notably, KL-Shampoo does not rely on Adam to attain competitive performance, eliminating the memory overhead introduced by Adam. Across our experiments, KL-Shampoo consistently outperforms SOAP, Shampoo, and even KL-SOAP, establishing the KL-based approach as a compelling foundation for designing structured methods in NN optimization.
Authors: Jiayi Pan, Jiaming Xu, Yongkang Zhou, Guohao Dai
Abstract: Feature caching has recently emerged as a promising method for diffusion model acceleration. It effectively alleviates the inefficiency problem caused by high computational requirements by caching similar features in the inference process of the diffusion model. In this paper, we analyze existing feature caching methods from the perspective of information utilization, and point out that relying solely on historical information will lead to constrained accuracy and speed performance. And we propose a novel paradigm that introduces future information via self-speculation based on the information similarity at the same time step across different iteration times. Based on this paradigm, we present \textit{SpecDiff}, a training-free multi-level feature caching strategy including a cached feature selection algorithm and a multi-level feature classification algorithm. (1) Feature selection algorithm based on self-speculative information. \textit{SpecDiff} determines a dynamic importance score for each token based on self-speculative information and historical information, and performs cached feature selection through the importance score. (2) Multi-level feature classification algorithm based on feature importance scores. \textit{SpecDiff} classifies tokens by leveraging the differences in feature importance scores and introduces a multi-level feature calculation strategy. Extensive experiments show that \textit{SpecDiff} achieves average 2.80 \times, 2.74 \times , and 3.17\times speedup with negligible quality loss in Stable Diffusion 3, 3.5, and FLUX compared to RFlow on NVIDIA A800-80GB GPU. By merging speculative and historical information, \textit{SpecDiff} overcomes the speedup-accuracy trade-off bottleneck, pushing the Pareto frontier of speedup and accuracy in the efficient diffusion model inference.
Authors: Jiyeon Kim, Yingjie Hu, Negar Elhami-Khorasani, Kai Sun, Ryan Zhenqi Zhou
Abstract: Predicting the spread of wildfires is essential for effective fire management and risk assessment. With the fast advancements of artificial intelligence (AI), various deep learning models have been developed and utilized for wildfire spread prediction. However, there is limited understanding of the advantages and limitations of these models, and it is also unclear how deep learning-based fire spread models can be compared with existing non-AI fire models. In this work, we assess the ability of five typical deep learning models integrated with weather and environmental variables for wildfire spread prediction based on over ten years of wildfire data in the state of Hawaii. We further use the 2023 Maui fires as a case study to compare the best deep learning models with a widely-used fire spread model, FARSITE. The results show that two deep learning models, i.e., ConvLSTM and ConvLSTM with attention, perform the best among the five tested AI models. FARSITE shows higher precision, lower recall, and higher F1-score than the best AI models, while the AI models offer higher flexibility for the input data. By integrating AI models with an explainable AI method, we further identify important weather and environmental factors associated with the 2023 Maui wildfires.
Authors: Md. Mahfuzur Rahman, Kishor Datta Gupta, Marufa Kamal, Fahad Rahman, Sunzida Siddique, Ahmed Rafi Hasan, Mohd Ariful Haque, Roy George
Abstract: The processes of classification and segmentation utilizing artificial intelligence play a vital role in the automation of disaster assessments. However, contemporary VLMs produce details that are inadequately aligned with the objectives of disaster assessment, primarily due to their deficiency in domain knowledge and the absence of a more refined descriptive process. This research presents the Vision Language Caption Enhancer (VLCE), a dedicated multimodal framework aimed at integrating external semantic knowledge from ConceptNet and WordNet to improve the captioning process. The objective is to produce disaster-specific descriptions that effectively convert raw visual data into actionable intelligence. VLCE utilizes two separate architectures: a CNN-LSTM model that incorporates a ResNet50 backbone, pretrained on EuroSat for satellite imagery (xBD dataset), and a Vision Transformer developed for UAV imagery (RescueNet dataset). In various architectural frameworks and datasets, VLCE exhibits a consistent advantage over baseline models such as LLaVA and QwenVL. Our optimal configuration reaches an impressive 95.33\% on InfoMetIC for UAV imagery while also demonstrating strong performance across satellite imagery. The proposed framework signifies a significant transition from basic visual classification to the generation of comprehensive situational intelligence, demonstrating immediate applicability for implementation in real-time disaster assessment systems.
Authors: Xiao Li, Jiaqi Zhang, Shuxiang Zhang, Tianshui Chen, Liang Lin, Guangrun Wang
Abstract: While diffusion models excel at generating continuous data such as images, adapting them to discrete tasks has relied on indirect approaches that either operate in continuous embedding spaces or use token masking mechanisms, both of which deviate from modeling the true discrete data distribution that can be theoretically guaranteed by Tweedie's formula. We propose in-situ Tweedie Discrete Diffusion (TDD), a framework that performs diffusion guaranteed by Tweedie's formula directly within the discrete one-hot space, hence "in-situ." Unlike prior methods that diffuse continuous embeddings or mask tokens, TDD directly corrupts one-hot vectors with Gaussian noise and performs iterative denoising through a timestep-conditioned cross-entropy objective rather than mean-squared-error reconstruction. At each denoising step, the model predicts class probabilities, applies argmax to obtain discrete predictions, converts them to one-hot vectors, and feeds them into the next iteration with progressively reduced noise. This process naturally unifies discriminative classification and generative modeling under a single framework. Experiments demonstrate that TDD achieves strong performance on both image classification and text generation tasks, with extensive ablation studies confirming the effectiveness of each design component. Our work establishes a principled approach to discrete diffusion that preserves the core characteristics of diffusion models while operating natively in discrete space.
Authors: Yubo Li, Ramayya Krishnan, Rema Padman
Abstract: Large Language Models (LLMs) have revolutionized conversational AI, yet their robustness in extended multi-turn dialogues remains poorly understood. Existing evaluation frameworks focus on static benchmarks and single-turn assessments, failing to capture the temporal dynamics of conversational degradation that characterize real-world interactions. In this work, we present a large-scale survival analysis of conversational robustness, modeling failure as a time-to-event process over 36,951 turns from 9 state-of-the-art LLMs on the MT-Consistency benchmark. Our framework combines Cox proportional hazards, Accelerated Failure Time (AFT), and Random Survival Forest models with simple semantic drift features. We find that abrupt prompt-to-prompt semantic drift sharply increases the hazard of inconsistency, whereas cumulative drift is counterintuitively \emph{protective}, suggesting adaptation in conversations that survive multiple shifts. AFT models with model-drift interactions achieve the best combination of discrimination and calibration, and proportional hazards checks reveal systematic violations for key drift covariates, explaining the limitations of Cox-style modeling in this setting. Finally, we show that a lightweight AFT model can be turned into a turn-level risk monitor that flags most failing conversations several turns before the first inconsistent answer while keeping false alerts modest. These results establish survival analysis as a powerful paradigm for evaluating multi-turn robustness and for designing practical safeguards for conversational AI systems.
Authors: Jiahe Jin, Abhijay Paladugu, Chenyan Xiong
Abstract: Agentic search leverages LLMs to solve complex user information needs by executing a multi-step process of planning, searching, and synthesizing information to provide answers. This paradigm introduces unique challenges for LLMs' agentic reasoning capabilities when interacting with search systems. In this paper, we propose an LLM-based pipeline to study effective reasoning behavior patterns in agentic search by analyzing agentic search trajectories. Using this pipeline, we identify four beneficial reasoning behaviors: Information Verification, Authority Evaluation, Adaptive Search, and Error Recovery. Based on these findings, we propose a technique called Behavior Priming to train agentic search models. It synthesizes trajectories that exhibit these four behaviors and integrates them into the agentic search model through SFT, followed by standard reinforcement learning. Experiments on Qwen3-1.7B and Llama3.2-3B-Instruct across three web benchmarks and seven multi-hop QA benchmarks demonstrate that behavior priming 1) yields significant performance gains compared to training with direct RL, and 2) outperforms other SFT-then-RL baselines, such as those SFT on randomly selected trajectories or on trajectories with merely correct outcomes. Crucially, we demonstrate that the reasoning behaviors, rather than the correctness of the final answer, is the critical factor for achieving strong performance in RL: SFT on trajectories with reasoning behaviors but incorrect answers leads to comparable performance with SFT on those with reasoning behaviors and correct answers. Our analysis further reveals that the introduced reasoning behaviors endow models with more effective exploration (higher pass@k and entropy) and test-time scaling (longer trajectories) capabilities, providing a strong foundation for RL. Our code are avalible at https://github.com/cxcscmu/Behavior_Priming_For_Agentic_Search.
URLs: https://github.com/cxcscmu/Behavior_Priming_For_Agentic_Search.
Authors: Chuang Chen, Yi Lin, Bo Wang, Jing Hu, Xi Wu, Wenyi Ge
Abstract: Environmental perception systems are crucial for high-precision mapping and autonomous navigation, with LiDAR serving as a core sensor providing accurate 3D point cloud data. Efficiently processing unstructured point clouds while extracting structured semantic information remains a significant challenge. In recent years, numerous pseudo-image-based representation methods have emerged to balance efficiency and performance by fusing 3D point clouds with 2D grids. However, the fundamental inconsistency between the pseudo-image representation and the original 3D information critically undermines 2D-3D feature fusion, posing a primary obstacle for coherent information fusion and leading to poor feature discriminability. This work proposes DAGLFNet, a pseudo-image-based semantic segmentation framework designed to extract discriminative features. It incorporates three key components: first, a Global-Local Feature Fusion Encoding (GL-FFE) module to enhance intra-set local feature correlation and capture global contextual information; second, a Multi-Branch Feature Extraction (MB-FE) network to capture richer neighborhood information and improve the discriminability of contour features; and third, a Feature Fusion via Deep Feature-guided Attention (FFDFA) mechanism to refine cross-channel feature fusion precision. Experimental evaluations demonstrate that DAGLFNet achieves mean Intersection-over-Union (mIoU) scores of 69.9% and 78.7% on the validation sets of SemanticKITTI and nuScenes, respectively. The method achieves an excellent balance between accuracy and efficiency.
Authors: Md Abdullah Al Mazid, Liangdong Deng, Naphtali Rishe
Abstract: Clouds remain a major obstacle in optical satellite imaging, limiting accurate environmental and climate analysis. To address the strong spectral variability and the large scale differences among cloud types, we propose MSCloudCAM, a novel multi-scale context adapter network with convolution based cross-attention tailored for multispectral and multi-sensor cloud segmentation. A key contribution of MSCloudCAM is the explicit modeling of multiple complementary multi-scale context extractors. And also, rather than simply stacking or concatenating their outputs, our formulation uses one extractor's fine-resolution features and the other extractor's global contextual representations enabling dynamic, scale-aware feature selection. Building on this idea, we design a new convolution-based cross attention adapter that effectively fuses localized, detailed information with broader multi-scale context. Integrated with a hierarchical vision backbone and refined through channel and spatial attention mechanisms, MSCloudCAM achieves strong spectral-spatial discrimination. Experiments on various multisensor datatsets e.g. CloudSEN12 (Sentinel-2) and L8Biome (Landsat-8) show that MSCloudCAM outperforms recent state-of-the-art models while maintaining competitive model complexity, highlighting the novelty and effectiveness of the proposed design for large-scale Earth observation.
Authors: Roussel Rahman, Aashwin Ananda Mishra, Wan-Lin Hu
Abstract: Both humans and machine learning models learn from experience, particularly in safety- and reliability-critical domains. While psychology seeks to understand human cognition, the field of Explainable AI (XAI) develops methods to interpret machine learning models. This study bridges these domains by applying computational tools from XAI to analyze human learning. We modeled human behavior during a complex real-world task -- tuning a particle accelerator -- by constructing graphs of operator subtasks. Applying techniques such as community detection and hierarchical clustering to archival operator data, we reveal how operators decompose the problem into simpler components and how these problem-solving structures evolve with expertise. Our findings illuminate how humans develop efficient strategies in the absence of globally optimal solutions, and demonstrate the utility of XAI-based methods for quantitatively studying human cognition.
Authors: Weichuang Shao, Iman Yi Liao, Tomas Henrique Bode Maul, Tissa Chandesa
Abstract: Recent foundational models, SSAST, EAT, HuBERT, Qwen-Audio, and Audio Flamingo, achieve top-tier results across standard audio benchmarks but are limited by fixed input rates and durations, hindering their reusability. This paper introduces the Augmentation-driven Multiview Audio Transformer (AMAuT), a training-from-scratch framework that eliminates the dependency on pre-trained weights while supporting arbitrary sample rates and audio lengths. AMAuT integrates four key components: (1) augmentation-driven multiview learning for robustness, (2) a conv1 + conv7 + conv1 one-dimensional CNN bottleneck for stable temporal encoding, (3) dual CLS + TAL tokens for bidirectional context representation, and (4) test-time adaptation/augmentation (TTA^2) to improve inference reliability. Experiments on five public benchmarks, AudioMNIST, SpeechCommands V1 & V2, VocalSound, and CochlScene, show that AMAuT achieves accuracies up to 99.8% while consuming less than 3% of the GPU hours required by comparable pre-trained models. Thus, AMAuT presents a highly efficient and flexible alternative to large pre-trained models, making state-of-the-art audio classification accessible in computationally constrained settings.
Authors: Zirui Zhu, Hailun Xu, Yang Luo, Yong Liu, Kanchan Sarkar, Zhenheng Yang, Yang You
Abstract: Multimodal large language models (MLLMs) represent images and video frames as visual tokens. Scaling from single images to hour-long videos, however, inflates the token budget far beyond practical limits. Popular pipelines therefore either uniformly subsample or apply keyframe selection with retrieval-style scoring using smaller vision-language models. However, these keyframe selection methods still rely on pre-filtering before selection to reduce the inference cost and can miss the most informative moments. We propose FOCUS, Frame-Optimistic Confidence Upper-bound Selection, a training-free, model-agnostic keyframe selection module that selects query-relevant frames under a strict token budget. FOCUS formulates keyframe selection as a combinatorial pure-exploration (CPE) problem in multi-armed bandits: it treats short temporal clips as arms, and uses empirical means and Bernstein confidence radius to identify informative regions while preserving exploration of uncertain areas. The resulting two-stage exploration-exploitation procedure reduces from a sequential policy with theoretical guarantees, first identifying high-value temporal regions, then selecting top-scoring frames within each region. On two long-video question-answering benchmarks, FOCUS delivers substantial accuracy improvements while processing less than 2% of video frames. For videos longer than 20 minutes, it achieves an 11.9% gain in accuracy on LongVideoBench, demonstrating its effectiveness as a keyframe selection method and providing a simple and general solution for scalable long-video understanding with MLLMs. Code is available at https://github.com/NUS-HPC-AI-Lab/FOCUS.
Authors: Mark Kocherovsky, Illya Bakurov, Wolfgang Banzhaf
Abstract: While crossover is a critical and often indispensable component in other forms of Genetic Programming, such as Linear- and Tree-based, it has consistently been claimed that it deteriorates search performance in CGP. As a result, a mutation-alone $(1+\lambda)$ evolutionary strategy has become the canonical approach for CGP. Although several operators have been developed that demonstrate an increased performance over the canonical method, a general solution to the problem is still lacking. In this paper, we compare basic crossover methods, namely one-point and uniform, to variants in which nodes are ``preserved,'' including the subgraph crossover developed by Roman Kalkreuth, the difference being that when ``node preservation'' is active, crossover is not allowed to break apart instructions. We also compare a node mutation operator to the traditional point mutation; the former simply replaces an entire node with a new one. We find that node preservation in both mutation and crossover improves search using symbolic regression benchmark problems, moving the field towards a general solution to CGP crossover.
Authors: Yifei Zhang, Jiashuo Zhang, Mojtaba Safari, Xiaofeng Yang, Liang Zhao
Abstract: Low-dose chest computed tomography (LDCT) inherently captures both pulmonary and cardiac structures, offering a unique opportunity for joint assessment of lung and cardiovascular health. However, most existing approaches treat these domains as independent tasks, overlooking their physiological interplay and shared imaging biomarkers. We propose an Explainable Cross-Disease Reasoning Framework that enables interpretable cardiopulmonary risk assessment from a single LDCT scan. The framework introduces an agentic reasoning process that emulates clinical diagnostic thinking-first perceiving pulmonary findings, then reasoning through established medical knowledge, and finally deriving a cardiovascular judgment with explanatory rationale. It integrates three synergistic components: a pulmonary perception module that summarizes lung abnormalities, a knowledge-guided reasoning module that infers their cardiovascular implications, and a cardiac representation module that encodes structural biomarkers. Their outputs are fused to produce a holistic cardiovascular risk prediction that is both accurate and physiologically grounded. Experiments on the NLST cohort demonstrate that the proposed framework achieves state-of-the-art performance for CVD screening and mortality prediction, outperforming single-disease and purely image-based baselines. Beyond quantitative gains, the framework provides human-verifiable reasoning that aligns with cardiological understanding, revealing coherent links between pulmonary abnormalities and cardiac stress mechanisms. Overall, this work establishes a unified and explainable paradigm for cardiovascular analysis from LDCT, bridging the gap between image-based prediction and mechanism-based medical interpretation.
Authors: Peng Zhang, Peijie Sun
Abstract: Safety alignment instills in Large Language Models (LLMs) a critical capacity to refuse malicious requests. Prior works have modeled this refusal mechanism as a single linear direction in the activation space. We posit that this is an oversimplification that conflates two functionally distinct neural processes: the detection of harm and the execution of a refusal. In this work, we deconstruct this single representation into a Harm Detection Direction and a Refusal Execution Direction. Leveraging this fine-grained model, we introduce Differentiated Bi-Directional Intervention (DBDI), a new white-box framework that precisely neutralizes the safety alignment at critical layer. DBDI applies adaptive projection nullification to the refusal execution direction while suppressing the harm detection direction via direct steering. Extensive experiments demonstrate that DBDI outperforms prominent jailbreaking methods, achieving up to a 97.88\% attack success rate on models such as Llama-2. By providing a more granular and mechanistic framework, our work offers a new direction for the in-depth understanding of LLM safety alignment.
Authors: Kevin Zielnicki, Guy Aridor, Aur\'elien Bibaut, Allen Tran, Winston Chou, Nathan Kallus
Abstract: Personalized recommendation systems shape much of user choice online, yet their targeted nature makes separating out the value of recommendation and the underlying goods challenging. We build a discrete choice model that embeds recommendation-induced utility, low-rank heterogeneity, and flexible state dependence and apply the model to viewership data at Netflix. We exploit idiosyncratic variation introduced by the recommendation algorithm to identify and separately value these components as well as to recover model-free diversion ratios that we can use to validate our structural model. We use the model to evaluate counterfactuals that quantify the incremental engagement generated by personalized recommendations. First, we show that replacing the current recommender system with a matrix factorization or popularity-based algorithm would lead to 4% and 12% reduction in engagement, respectively, and decreased consumption diversity. Second, most of the consumption increase from recommendations comes from effective targeting, not mechanical exposure, with the largest gains for mid-popularity goods (as opposed to broadly appealing or very niche goods).
Authors: C. Evans Hedges
Abstract: We prove a fundamental misalignment in transfer learning: the source regularization that minimizes source risk almost never coincides with the regularization maximizing transfer benefit. Through sharp phase boundaries for L2-SP ridge regression, we characterize the transfer-optimal source penalty $\tau_0^*$ for a fixed task alignment. With sufficiently weak alignment, $\tau_0^*$ is always larger than the source optimal regularization, however with strong alignment $\tau_0^*$ diverges predictably from task-optimal values: requiring stronger regularization in high-SNR regimes and weaker regularization in low-SNR regimes. Additionally, in isotropic settings the decision to transfer is remarkably independent of target sample size and noise, depending only on task alignment and source characteristics. CIFAR-10 and MNIST experiments confirm this counterintuitive pattern persists in non-linear networks.
Authors: Hasib Uddin Molla, Matthew Backhouse, Ankit Banarjee, Jinniao Qiu
Abstract: In this work, we extend deep learning-based numerical methods to fully coupled forward-backward stochastic differential equations (FBSDEs) within a non-Markovian framework. Error estimates and convergence are provided. In contrast to the existing literature, our approach not only analyzes the non-Markovian framework but also addresses fully coupled settings, in which both the drift and diffusion coefficients of the forward process may be random and depend on the backward components $Y$ and $Z$. Furthermore, we illustrate the practical applicability of our framework by addressing utility maximization problems under rough volatility, which are solved numerically with the proposed deep learning-based methods.
Authors: Hayden R. Johnson, Anastasia N. Krouglova, Hadi Vafaii, Jacob L. Yates, Pedro J. Gon\c{c}alves
Abstract: Many properties of perceptual decision making are well-modeled by deep neural networks. However, such architectures typically treat decisions as instantaneous readouts, overlooking the temporal dynamics of the decision process. We present an image-computable model of perceptual decision making in which choices and response times arise from efficient sensory encoding and Bayesian decoding of neural spiking activity. We use a Poisson variational autoencoder to learn unsupervised representations of visual stimuli in a population of rate-coded neurons, modeled as independent homogeneous Poisson processes. A task-optimized decoder then continually infers an approximate posterior over actions conditioned on incoming spiking activity. Combining these components with an entropy-based stopping rule yields a principled and image-computable model of perceptual decisions capable of generating trial-by-trial patterns of choices and response times. Applied to MNIST digit classification, the model reproduces key empirical signatures of perceptual decision making, including stochastic variability, right-skewed response time distributions, logarithmic scaling of response times with the number of alternatives (Hick's law), and speed-accuracy trade-offs.
Authors: Chunqiu Steven Xia, Zhe Wang, Yan Yang, Yuxiang Wei, Lingming Zhang
Abstract: Large Language Models (LLMs) are reshaping almost all industries, including software engineering. In recent years, a number of LLM agents have been proposed to solve real-world software problems. Such software agents are typically equipped with a suite of coding tools and can autonomously decide the next actions to form complete trajectories to solve end-to-end software tasks. While promising, they typically require dedicated design and may still be suboptimal, since it can be extremely challenging and costly to exhaust the entire agent scaffold design space. Recognizing that software agents are inherently software themselves that can be further refined/modified, researchers have proposed a number of self-improving software agents recently, including the Darwin-G\"odel Machine (DGM). Meanwhile, such self-improving agents require costly offline training on specific benchmarks and may not generalize well across different LLMs or benchmarks. In this paper, we propose Live-SWE-agent, the first live software agent that can autonomously and continuously evolve itself on-the-fly during runtime when solving real-world software problems. More specifically, Live-SWE-agent starts with the most basic agent scaffold with only access to bash tools (e.g., mini-SWE-agent), and autonomously evolves its own scaffold implementation while solving real-world software problems. Our evaluation on the widely studied SWE-bench Verified benchmark shows that LIVE-SWE-AGENT can achieve an impressive solve rate of 77.4% without test-time scaling, outperforming all existing software agents, including the best proprietary solution. Moreover, Live-SWE-agent outperforms state-of-the-art manually crafted software agents on the recent SWE-Bench Pro benchmark, achieving the best-known solve rate of 45.8%.
Authors: Moran Yanuka, Paul Dixon, Eyal Finkelshtein, Daniel Rotman, Raja Giryes
Abstract: Speculative decoding accelerates autoregressive speech generation by letting a fast draft model propose tokens that a larger target model verifies. However, for speech LLMs that generate acoustic tokens, exact token matching is overly restrictive: many discrete tokens are acoustically or semantically interchangeable, reducing acceptance rates and limiting speedups. We introduce Principled Coarse-Graining (PCG), which verifies proposals at the level of Acoustic Similarity Groups (ASGs) derived from the target model's embedding space. By splitting each token's probability mass across the overlapping groups that contain it, we define an overlap-aware coarse-grained distribution and perform rejection sampling on the resulting group variable. This yields an exactness guarantee at the group level while allowing the accepted draft token to stand in for any member of the group in practice. On LibriTTS, PCG increases acceptance and throughput relative to standard speculative decoding and prior speech-specific relaxations while maintaining intelligibility and speaker similarity. These results suggest acoustically aware, group-level acceptance as a simple and general way to accelerate speech token generation while maintaining speech quality.
Authors: Ruoyu Qin, Weiran He, Weixiao Huang, Yangkun Zhang, Yikai Zhao, Bo Pang, Xinran Xu, Yingdi Shan, Yongwei Wu, Mingxing Zhang
Abstract: Reinforcement Learning (RL) has become critical for advancing modern Large Language Models (LLMs), yet existing synchronous RL systems face severe performance bottlenecks. The rollout phase, which dominates end-to-end iteration time, suffers from substantial long-tail latency and poor resource utilization due to inherent workload imbalance. We present Seer, a novel online context learning system that addresses these challenges by exploiting previously overlooked similarities in output lengths and generation patterns among requests sharing the same prompt. Seer introduces three key techniques: divided rollout for dynamic load balancing, context-aware scheduling, and adaptive grouped speculative decoding. Together, these mechanisms substantially reduce long-tail latency and improve resource efficiency during rollout. Evaluations on production-grade RL workloads demonstrate that Seer improves end-to-end rollout throughput by 74% to 97% and reduces long-tail latency by 75% to 93% compared to state-of-the-art synchronous RL systems, significantly accelerating RL training iterations.
Authors: Kexin Chu, Dawei Xiang, Zixu Shen, Yiwei Yang, Zecheng Liu, Wei Zhang
Abstract: Mixture-of-Experts (MoE) models scale LLM capacity efficiently, but deployment on consumer GPUs is limited by the large memory footprint of inactive experts. Static post-training quantization reduces storage costs but cannot adapt to shifting activation patterns, causing accuracy loss under aggressive compression. So we present DynaExq, a runtime system that treats expert precision as a first-class, dynamically managed resource. DynaExq combines (1) a hotness-aware precision controller that continuously aligns expert bit-widths with long-term activation statistics, (2) a fully asynchronous precision-switching pipeline that overlaps promotion and demotion with MoE computation, and (3) a fragmentation-free memory pooling mechanism that supports hybrid-precision experts with deterministic allocation. Together, these components enable stable, non-blocking precision transitions under strict HBM budgets. Across Qwen3-30B and Qwen3-80B MoE models and six representative benchmarks, DynaExq deploys large LLMs on single RTX 5090 and A6000 GPUs and improves accuracy by up to 4.03 points over static low-precision baselines. The results show that adaptive, workload-aware quantization is an effective strategy for memory-constrained MoE serving.
Authors: Dawei Li, Zijian Gu, Peng Wang, Chuhan Song, Zhen Tan, Mohan Zhang, Tianlong Chen, Yu Tian, Song Wang
Abstract: Multimodal large language models (MLLMs) have shown strong potential for medical image reasoning, yet fairness across demographic groups remains a major concern. Existing debiasing methods often rely on large labeled datasets or fine-tuning, which are impractical for foundation-scale models. We explore In-Context Learning (ICL) as a lightweight, tuning-free alternative for improving fairness. Through systematic analysis, we find that conventional demonstration selection (DS) strategies fail to ensure fairness due to demographic imbalance in selected exemplars. To address this, we propose Fairness-Aware Demonstration Selection (FADS), which builds demographically balanced and semantically relevant demonstrations via clustering-based sampling. Experiments on multiple medical imaging benchmarks show that FADS consistently reduces gender-, race-, and ethnicity-related disparities while maintaining strong accuracy, offering an efficient and scalable path toward fair medical image reasoning. These results highlight the potential of fairness-aware in-context learning as a scalable and data-efficient solution for equitable medical image reasoning.
Authors: Jiaxun Fang, Grace Li Zhang, Shaoyi Huang
Abstract: Systolic array accelerators execute CNNs with energy dominated by the switching activity of multiply accumulate (MAC) units. Although prior work exploits weight dependent MAC power for compression, existing methods often use global activation models, coarse energy proxies, or layer-agnostic policies, which limits their effectiveness on real hardware. We propose an energy aware, layer-wise compression framework that explicitly leverages MAC and layer level energy characteristics. First, we build a layer-aware MAC energy model that combines per-layer activation statistics with an MSB-Hamming distance grouping of 22-bit partial sum transitions, and integrate it with a tile-level systolic mapping to estimate convolution-layer energy. On top of this model, we introduce an energy accuracy co-optimized weight selection algorithm within quantization aware training and an energy-prioritized layer-wise schedule that compresses high energy layers more aggressively under a global accuracy constraint. Experiments on different CNN models demonstrate up to 58.6\% energy reduction with 2-3\% accuracy drop, outperforming a state-of-the-art power-aware baseline.
Authors: Qi Jiang, Xiaolong Qian, Yao Gao, Lei Sun, Kailun Yang, Zhonghua Yi, Wenyong Li, Ming-Hsuan Yang, Luc Van Gool, Kaiwei Wang
Abstract: Emerging deep-learning-based lens library pre-training (LensLib-PT) pipeline offers a new avenue for blind lens aberration correction by training a universal neural network, demonstrating strong capability in handling diverse unknown optical degradations. This work proposes the OmniLens++ framework, which resolves two challenges that hinder the generalization ability of existing pipelines: the difficulty of scaling data and the absence of prior guidance characterizing optical degradation. To improve data scalability, we expand the design specifications to increase the degradation diversity of the lens source, and we sample a more uniform distribution by quantifying the spatial-variation patterns and severity of optical degradation. In terms of model design, to leverage the Point Spread Functions (PSFs), which intuitively describe optical degradation, as guidance in a blind paradigm, we propose the Latent PSF Representation (LPR). The VQVAE framework is introduced to learn latent features of LensLib's PSFs, which is assisted by modeling the optical degradation process to constrain the learning of degradation priors. Experiments on diverse aberrations of real-world lenses and synthetic LensLib show that OmniLens++ exhibits state-of-the-art generalization capacity in blind aberration correction. Beyond performance, the AODLibpro is verified as a scalable foundation for more effective training across diverse aberrations, and LPR can further tap the potential of large-scale LensLib. The source code and datasets will be made publicly available at https://github.com/zju-jiangqi/OmniLens2.
Authors: Hoang Ta, Jonathan Scarlett
Abstract: We study the problem of learning an unknown graph via group queries on node subsets, where each query reports whether at least one edge is present among the queried nodes. In general, learning arbitrary graphs with $n$ nodes and $k$ edges is hard in the non-adaptive setting, requiring $\Omega\big(\min\{k^2\log n,\,n^2\}\big)$ tests even when a small error probability is allowed. We focus on learning Erd\H{o}s--R\'enyi (ER) graphs $G\sim\mathrm{ER}(n,q)$ in the non-adaptive setting, where the expected number of edges is $\bar{k}=q\binom{n}{2}$, and we aim to design an efficient testing--decoding scheme achieving asymptotically vanishing error probability. Prior work (Li--Fresacher--Scarlett, NeurIPS 2019) presents a testing--decoding scheme that attains an order-optimal number of tests $O(\bar{k}\log n)$ but incurs $\Omega(n^2)$ decoding time, whereas their proposed sublinear-time algorithm incurs an extra $(\log \bar{k})(\log n)$ factor in the number of tests. We extend the binary splitting approach, recently developed for non-adaptive group testing, to the ER graph learning setting, and prove that the edge set can be recovered with high probability using $O(\bar{k}\log n)$ tests while attaining decoding time $O(\bar{k}^{1+\delta}\log n)$ for any fixed $\delta>0$.