Authors: Hema Hariharan Samson
Abstract: The deployment of transformer-based models on resource-constrained edge devices represents a critical challenge in enabling real-time artificial intelligence applications. This comprehensive survey examines lightweight transformer architectures specifically designed for edge deployment, analyzing recent advances in model compression, quantization, pruning, and knowledge distillation techniques. We systematically review prominent lightweight variants including MobileBERT, TinyBERT, DistilBERT, EfficientFormer, EdgeFormer, and MobileViT, providing detailed performance benchmarks on standard datasets such as GLUE, SQuAD, ImageNet-1K, and COCO. Our analysis encompasses current industry adoption patterns across major hardware platforms (NVIDIA Jetson, Qualcomm Snapdragon, Apple Neural Engine, ARM architectures), deployment frameworks (TensorFlow Lite, ONNX Runtime, PyTorch Mobile, CoreML), and optimization strategies. Experimental results demonstrate that modern lightweight transformers can achieve 75-96% of full-model accuracy while reducing model size by 4-10x and inference latency by 3-9x, enabling deployment on devices with as little as 2-5W power consumption. We identify sparse attention mechanisms, mixed-precision quantization (INT8/FP16), and hardware-aware neural architecture search as the most effective optimization strategies. Novel findings include memory-bandwidth bottleneck analysis revealing 15-40M parameter models achieve optimal hardware utilization (60-75% efficiency), quantization sweet spots for different model types, and comprehensive energy efficiency profiling across edge platforms. We establish real-time performance boundaries and provide a practical 6-step deployment pipeline achieving 8-12x size reduction with less than 2% accuracy degradation.
Authors: Dhruv Trehan, Paras Chopra
Abstract: We report a case study of four end-to-end attempts to autonomously generate ML research papers using a pipeline of six LLM agents mapped to stages of the scientific workflow. Of these four, three attempts failed during implementation or evaluation. One completed the pipeline and was accepted to Agents4Science 2025, an experimental inaugural venue that required AI systems as first authors, passing both human and multi-AI review. From these attempts, we document six recurring failure modes: bias toward training data defaults, implementation drift under execution pressure, memory and context degradation across long-horizon tasks, overexcitement that declares success despite obvious failures, insufficient domain intelligence, and weak scientific taste in experimental design. We conclude by discussing four design principles for more robust AI-scientist systems, implications for autonomous scientific discovery, and we release all prompts, artifacts, and outputs at https://github.com/Lossfunk/ai-scientist-artefacts-v1
Authors: Yu Luo, Shuo Han, Yihan Hu, Dong Li, Jianye Hao
Abstract: On-policy reinforcement learning (RL), particularly Proximal Policy Optimization (PPO) and Group Relative Policy Optimization (GRPO), has become the dominant paradigm for fine-tuning large language models (LLMs). While policy ratio clipping stabilizes training, this heuristic hard constraint incurs a fundamental cost: it indiscriminately truncates gradients from high-return yet high-divergence actions, suppressing rare but highly informative "eureka moments" in complex reasoning. Moreover, once data becomes slightly stale, hard clipping renders it unusable, leading to severe sample inefficiency. In this work, we revisit the trust-region objective in policy optimization and show that explicitly constraining the \emph{variance (second central moment) of the policy ratio} provides a principled and smooth relaxation of hard clipping. This distributional constraint stabilizes policy updates while preserving gradient signals from valuable trajectories. Building on this insight, we propose $R^2VPO$ (Ratio-Variance Regularized Policy Optimization), a novel primal-dual framework that supports stable on-policy learning and enables principled off-policy data reuse by dynamically reweighting stale samples rather than discarding them. We extensively evaluate $R^2VPO$ on fine-tuning state-of-the-art LLMs, including DeepSeek-Distill-Qwen-1.5B and the openPangu-Embedded series (1B and 7B), across challenging mathematical reasoning benchmarks. Experimental results show that $R^2VPO$ consistently achieves superior asymptotic performance, with average relative gains of up to 17% over strong clipping-based baselines, while requiring approximately 50% fewer rollouts to reach convergence. These findings establish ratio-variance control as a promising direction for improving both stability and data efficiency in RL-based LLM alignment.
Authors: Kun Zhao, Siyuan Dai, Pan Wang, Jifeng Song, Hui Ji, Chenghua Lin, Liang Zhan, Haoteng Tang
Abstract: Multimodal Large Language Models (MLLMs) have shown strong potential for radiology report generation, yet their clinical translation is hindered by architectural heterogeneity and the prevalence of factual hallucinations. Standard supervised fine-tuning often fails to strictly align linguistic outputs with visual evidence, while existing reinforcement learning approaches struggle with either prohibitive computational costs or limited exploration. To address these challenges, we propose a comprehensive framework for self-consistent radiology report generation. First, we conduct a systematic evaluation to identify optimal vision encoder and LLM backbone configurations for medical imaging. Building on this foundation, we introduce a novel "Reason-then-Summarize" architecture optimized via Group Relative Policy Optimization (GRPO). This framework restructures generation into two distinct components: a think block for detailed findings and an answer block for structured disease labels. By utilizing a multi-dimensional composite reward function, we explicitly penalize logical discrepancies between the generated narrative and the final diagnosis. Extensive experiments on the MIMIC-CXR benchmark demonstrate that our method achieves state-of-the-art performance in clinical efficacy metrics and significantly reduces hallucinations compared to strong supervised baselines.
Authors: Shanglin Li, Shiwen Chu, Okan Ko\c{c}, Yi Ding, Qibin Zhao, Motoaki Kawanabe, Ziheng Chen
Abstract: Electroencephalography (EEG)-based brain-computer interfaces facilitate direct communication with a computer, enabling promising applications in human-computer interactions. However, their utility is currently limited because EEG decoding often suffers from poor generalization due to distribution shifts across domains (e.g., subjects). Learning robust representations that capture underlying task-relevant information would mitigate these shifts and improve generalization. One promising approach is to exploit the underlying hierarchical structure in EEG, as recent studies suggest that hierarchical cognitive processes, such as visual processing, can be encoded in EEG. While many decoding methods still rely on Euclidean embeddings, recent work has begun exploring hyperbolic geometry for EEG. Hyperbolic spaces, regarded as the continuous analogue of tree structures, provide a natural geometry for representing hierarchical data. In this study, we first empirically demonstrate that EEG data exhibit hyperbolicity and show that hyperbolic embeddings improve generalization. Motivated by these findings, we propose HEEGNet, a hybrid hyperbolic network architecture to capture the hierarchical structure in EEG and learn domain-invariant hyperbolic embeddings. To this end, HEEGNet combines both Euclidean and hyperbolic encoders and employs a novel coarse-to-fine domain adaptation strategy. Extensive experiments on multiple public EEG datasets, covering visual evoked potentials, emotion recognition, and intracranial EEG, demonstrate that HEEGNet achieves state-of-the-art performance.
Authors: Nicolas Caron, Christophe Guyeux, Hassan Noura, Benjamin Aynes
Abstract: Wildfires are highly imbalanced natural hazards in both space and severity, making the prediction of extreme events particularly challenging. In this work, we introduce the first ordinal classification framework for forecasting wildfire severity levels directly aligned with operational decision-making in France. Our study investigates the influence of loss-function design on the ability of neural models to predict rare yet critical high-severity fire occurrences. We compare standard cross-entropy with several ordinal-aware objectives, including the proposed probabilistic TDeGPD loss derived from a truncated discrete exponentiated Generalized Pareto Distribution. Through extensive benchmarking over multiple architectures and real operational data, we show that ordinal supervision substantially improves model performance over conventional approaches. In particular, the Weighted Kappa Loss (WKLoss) achieves the best overall results, with more than +0.1 IoU gain on the most extreme severity classes while maintaining competitive calibration quality. However, performance remains limited for the rarest events due to their extremely low representation in the dataset. These findings highlight the importance of integrating both severity ordering, data imbalance considerations, and seasonality risk into wildfire forecasting systems. Future work will focus on incorporating seasonal dynamics and uncertainty information into training to further improve the reliability of extreme-event prediction.
Authors: Hasi Hays
Abstract: Attention mechanisms represent a fundamental paradigm shift in neural network architectures, enabling models to selectively focus on relevant portions of input sequences through learned weighting functions. This monograph provides a comprehensive and rigorous mathematical treatment of attention mechanisms, encompassing their theoretical foundations, computational properties, and practical implementations in contemporary deep learning systems. Applications in natural language processing, computer vision, and multimodal learning demonstrate the versatility of attention mechanisms. We examine language modeling with autoregressive transformers, bidirectional encoders for representation learning, sequence-to-sequence translation, Vision Transformers for image classification, and cross-modal attention for vision-language tasks. Empirical analysis reveals training characteristics, scaling laws that relate performance to model size and computation, attention pattern visualizations, and performance benchmarks across standard datasets. We discuss the interpretability of learned attention patterns and their relationship to linguistic and visual structures. The monograph concludes with a critical examination of current limitations, including computational scalability, data efficiency, systematic generalization, and interpretability challenges.
Authors: Oleksandr Kuznetsov
Abstract: Kolmogorov--Arnold Networks (KAN) replace scalar weights by learnable univariate functions, often implemented with B-splines. This design can be accurate and interpretable, but it makes inference expensive on CPU because each layer requires many spline evaluations. Standard quantization toolchains are also hard to apply because the main computation is not a matrix multiply but repeated spline basis evaluation. This paper introduces LUT-KAN, a segment-wise lookup-table (LUT) compilation and quantization method for PyKAN-style KAN layers. LUT-KAN converts each edge function into a per-segment LUT with affine int8/uint8 quantization and linear interpolation. The method provides an explicit and reproducible inference contract, including boundary conventions and out-of-bounds (OOB) policies. We propose an ``honest baseline'' methodology for speed evaluation: B-spline evaluation and LUT evaluation are compared under the same backend optimization (NumPy vs NumPy and Numba vs Numba), which separates representation gains from vectorization and JIT effects. Experiments include controlled sweeps over LUT resolution L in 16, 32, 64, 128 and two quantization schemes (symmetric int8 and asymmetric uint8). We report accuracy, speed, and memory metrics with mean and standard deviation across multiple seeds. A two-by-two OOB robustness matrix evaluates behavior under different boundary modes and OOB policies. In a case study, we compile a trained KAN model for DoS attack detection (CICIDS2017 pipeline) into LUT artifacts. The compiled model preserves classification quality (F1 drop below 0.0002) while reducing steady-state CPU inference latency by 12x under NumPy and 10x under Numba backends (honest baseline). The memory overhead is approximately 10x at L=64. All code and artifacts are publicly available with fixed release tags for reproducibility.
Authors: Chenyang Li, Himanshu Sharma, Youcai Wu, Joseph Magallanes, K. T. Ramesh, Michael D. Shields
Abstract: Understanding and modeling the constitutive behavior of concrete is crucial for civil and defense applications, yet widely used phenomenological models such as Karagozian \& Case concrete (KCC) model depend on empirically calibrated failure surfaces that lack flexibility in model form and associated uncertainty quantification. This work develops a physics-informed framework that retains the modular elastoplastic structure of KCC model while replacing its empirical failure surface with a constrained Gaussian Process Regression (GPR) surrogate that can be learned directly from experimentally accessible observables. Triaxial compression data under varying confinement levels are used for training, and the surrogate is then evaluated at confinement levels not included in the training set to assess its generalization capability. Results show that an unconstrained GPR interpolates well near training conditions but deteriorates and violates essential physical constraints under extrapolation, even when augmented with simulated data. In contrast, a physics-informed GPR that incorporates derivative-based constraints aligned with known material behavior yields markedly better accuracy and reliability, including at higher confinement levels beyond the training range. Probabilistic enforcement of these constraints also reduces predictive variance, producing tighter confidence intervals in data-scarce regimes. Overall, the proposed approach delivers a robust, uncertainty-aware surrogate that improves generalization and streamlines calibration without sacrificing the interpretability and numerical efficiency of the KCC model, offering a practical path toward an improved constitutive models for concrete.
Authors: A. M. A. S. D. Alagiyawanna, Asoka Karunananda, A. Mahasinghe, Thushari Silva
Abstract: Convolutional Neural Networks (CNNs) have shown promising results in efficiency and accuracy in image classification. However, their efficacy often relies on large, labeled datasets, posing challenges for applications with limited data availability. Our research addresses these challenges by introducing an innovative approach that leverages projected quantum kernels (PQK) to enhance feature extraction for CNNs, specifically tailored for small datasets. Projected quantum kernels, derived from quantum computing principles, offer a promising avenue for capturing complex patterns and intricate data structures that traditional CNNs might miss. By incorporating these kernels into the feature extraction process, we improved the representational ability of CNNs. Our experiments demonstrated that, with 1000 training samples, the PQK-enhanced CNN achieved 95% accuracy on the MNIST dataset and 90% on the CIFAR-10 dataset, significantly outperforming the classical CNN, which achieved only 60% and 12% accuracy on the respective datasets. This research reveals the potential of quantum computing in overcoming data scarcity issues in machine learning and paves the way for future exploration of quantum-assisted neural networks, suggesting that projected quantum kernels can serve as a powerful approach for enhancing CNN-based classification in data-constrained environments.
Authors: Kamal Mohamed, Lillian Wassim, Ali Hamdi, Khaled Shaban
Abstract: This paper presents a novel framework to accelerate route prediction in Drone-as-a-Service operations through weather-aware deep learning models. While classical path-planning algorithms, such as A* and Dijkstra, provide optimal solutions, their computational complexity limits real-time applicability in dynamic environments. We address this limitation by training machine learning and deep learning models on synthetic datasets generated from classical algorithm simulations. Our approach incorporates transformer-based and attention-based architectures that utilize weather heuristics to predict optimal next-node selections while accounting for meteorological conditions affecting drone operations. The attention mechanisms dynamically weight environmental factors including wind patterns, wind bearing, and temperature to enhance routing decisions under adverse weather conditions. Experimental results demonstrate that our weather-aware models achieve significant computational speedup over traditional algorithms while maintaining route optimization performance, with transformer-based architectures showing superior adaptation to dynamic environmental constraints. The proposed framework enables real-time, weather-responsive route optimization for large-scale DaaS operations, representing a substantial advancement in the efficiency and safety of autonomous drone systems.
Authors: Yi Gu, Lingyou Pang, Xiangkun Ye, Tianyu Wang, Jianyu Lin, Carey E. Priebe, Alexander Aue
Abstract: The rapid adoption of synthetic data for training Large Language Models (LLMs) has introduced the technical challenge of "model collapse"-a degenerative process where recursive training on model-generated content leads to a contraction of distributional variance and representational quality. While the phenomenology of collapse is increasingly evident, rigorous methods to quantify and predict its onset in high-dimensional spaces remain elusive. In this paper, we introduce SIGMA (Spectral Inequalities for Gram Matrix Analysis), a unified framework that benchmarks model collapse through the spectral lens of the embedding Gram matrix. By deriving and utilizing deterministic and stochastic bounds on the matrix's spectrum, SIGMA provides a mathematically grounded metric to track the contraction of the representation space. Crucially, our stochastic formulation enables scalable estimation of these bounds, making the framework applicable to large-scale foundation models where full eigendecomposition is intractable. We demonstrate that SIGMA effectively captures the transition towards degenerate states, offering both theoretical insights into the mechanics of collapse and a practical, scalable tool for monitoring the health of recursive training pipelines.
Authors: Abdul Rehman Akbar, Alejandro Levya, Ashwini Esnakula, Elshad Hasanov, Anne Noonan, Upender Manne, Vaibhav Sahai, Lingbin Meng, Susan Tsai, Anil Parwani, Wei Chen, Ashish Manne, Muhammad Khalid Khan Niazi
Abstract: Molecular subtyping of PDAC into basal-like and classical has established prognostic and predictive value. However, its use in clinical practice is limited by cost, turnaround time, and tissue requirements, thereby restricting its application in the management of PDAC. We introduce PanSubNet, an interpretable deep learning framework that predicts therapy-relevant molecular subtypes directly from standard H&E-stained WSIs. PanSubNet was developed using data from 1,055 patients across two multi-institutional cohorts (PANCAN, n=846; TCGA, n=209) with paired histology and RNA-seq data. Ground-truth labels were derived using the validated Moffitt 50-gene signature refined by GATA6 expression. The model employs dual-scale architecture that fuses cellular-level morphology with tissue-level architecture, leveraging attention mechanisms for multi-scale representation learning and transparent feature attribution. On internal validation within PANCAN using five-fold cross-validation, PanSubNet achieved mean AUC of 88.5% with balanced sensitivity and specificity. External validation on the independent TCGA cohort without fine-tuning demonstrated robust generalizability (AUC 84.0%). PanSubNet preserved and, in metastatic disease, strengthened prognostic stratification compared to RNA-seq based labels. Prediction uncertainty linked to intermediate transcriptional states, not classification noise. Model predictions are aligned with established transcriptomic programs, differentiation markers, and DNA damage repair signatures. By enabling rapid, cost-effective molecular stratification from routine H&E-stained slides, PanSubNet offers a clinically deployable and interpretable tool for genetic subtyping. We are gathering data from two institutions to validate and assess real-world performance, supporting integration into digital pathology workflows and advancing precision oncology for PDAC.
Authors: Yigal Koifman, Eran Iceland, Erez Koifman, Ariel Barel, Alfred M. Bruckstein
Abstract: This study highlights the potential of image-based reinforcement learning methods for addressing swarm-related tasks. In multi-agent reinforcement learning, effective policy learning depends on how agents sense, interpret, and process inputs. Traditional approaches often rely on handcrafted feature extraction or raw vector-based representations, which limit the scalability and efficiency of learned policies concerning input order and size. In this work we propose an image-based reinforcement learning method for decentralized control of a multi-agent system, where observations are encoded as structured visual inputs that can be processed by Neural Networks, extracting its spatial features and producing novel decentralized motion control rules. We evaluate our approach on a multi-agent convergence task of agents with limited-range and bearing-only sensing that aim to keep the swarm cohesive during the aggregation. The algorithm's performance is evaluated against two benchmarks: an analytical solution proposed by Bellaiche and Bruckstein, which ensures convergence but progresses slowly, and VariAntNet, a neural network-based framework that converges much faster but shows medium success rates in hard constellations. Our method achieves high convergence, with a pace nearly matching that of VariAntNet. In some scenarios, it serves as the only practical alternative.
Authors: Zhakshylyk Nurlanov, Frank R. Schmidt, Florian Bernard
Abstract: As Large Language Models (LLMs) are increasingly deployed in safety-critical domains, rigorously evaluating their robustness against adversarial jailbreaks is essential. However, current safety evaluations often overestimate robustness because existing automated attacks are limited by restrictive assumptions. They typically rely on handcrafted priors or require white-box access for gradient propagation. We challenge these constraints by demonstrating that token-level iterative optimization can succeed without gradients or priors. We introduce RAILS (RAndom Iterative Local Search), a framework that operates solely on model logits. RAILS matches the effectiveness of gradient-based methods through two key innovations: a novel auto-regressive loss that enforces exact prefix matching, and a history-based selection strategy that bridges the gap between the proxy optimization objective and the true attack success rate. Crucially, by eliminating gradient dependency, RAILS enables cross-tokenizer ensemble attacks. This allows for the discovery of shared adversarial patterns that generalize across disjoint vocabularies, significantly enhancing transferability to closed-source systems. Empirically, RAILS achieves near 100% success rates on multiple open-source models and high black-box attack transferability to closed-source systems like GPT and Gemini.
Authors: Valentin No\"el
Abstract: Behavioral benchmarks tell us \textit{what} a model does, but not \textit{how}. We introduce a training-free mechanistic probe using attention-graph spectra. Treating each layer as a token graph, we compute algebraic connectivity ($\lambda_2$), smoothness, and spectral entropy. Across 12 models and 10 languages, these measures yield stable ``spectral fingerprints'' that expose discontinuities missed by standard evaluation. We report four results. (1) Models undergoing specific curriculum transitions (e.g., code-to-chat) show an English-only, syntax-triggered connectivity failure on non-canonical constructions, reaching $\Delta\lambda_2 \approx -0.76$. We term this scar \textit{Passive-Triggered Connectivity Collapse} (PTCC). Analysis of the Phi lineage reveals that PTCC appears and resolves across developmental stages, implicating brittle curriculum shifts rather than synthetic data per se. (2) PTCC reflects a specialization trade-off: strengthened formal routing at the expense of stylistic flexibility. (3) We identify four recurrent processing strategies; simple frozen-threshold rules enable perfect forensic identification across lineages. (4) Mechanistically, PTCC localizes to a sparse Layer 2 ``compensatory patch'' of heads that fails under syntactic stress; activation steering can partially restore connectivity, recovering $\approx 38\%$ of lost information flow. Finally, dominant topological regimes track tokenization density more than language identity, suggesting ``healthy'' geometry varies systematically across scripts. Overall, attention-graph spectra provide a practical tool for auditing and training-regime verification.
Authors: Yan Wang, Yitao Xu, Nanhan Shen, Jinyan Su, Jimin Huang, Zining Zhu
Abstract: Mixture of Experts models are widely assumed to achieve domain specialization through sparse routing. In this work, we question this assumption by introducing COMMITTEEAUDIT, a post hoc framework that analyzes routing behavior at the level of expert groups rather than individual experts. Across three representative models and the MMLU benchmark, we uncover a domain-invariant Standing Committee. This is a compact coalition of routed experts that consistently captures the majority of routing mass across domains, layers, and routing budgets, even when architectures already include shared experts. Qualitative analysis further shows that Standing Committees anchor reasoning structure and syntax, while peripheral experts handle domain-specific knowledge. These findings reveal a strong structural bias toward centralized computation, suggesting that specialization in Mixture of Experts models is far less pervasive than commonly believed. This inherent bias also indicates that current training objectives, such as load-balancing losses that enforce uniform expert utilization, may be working against the model's natural optimization path, thereby limiting training efficiency and performance.
Authors: Zibo Liu, Muyang Li, Zhe Jiang, Shigang Chen
Abstract: News videos are carefully edited multimodal narratives that combine narration, visuals, and external quotations into coherent storylines. In recent years, there have been significant advances in evaluating multimodal large language models (MLLMs) for news video understanding. However, existing benchmarks largely focus on single-source, intra-video reasoning, where each report is processed in isolation. In contrast, real-world news consumption is inherently multi-sourced: the same event is reported by different outlets with complementary details, distinct narrative choices, and sometimes conflicting claims that unfold over time. Robust news understanding, therefore, requires models to compare perspectives from different sources, align multimodal evidence across sources, and synthesize multi-source information. To fill this gap, we introduce VNU-Bench, the first benchmark for multi-source, cross-video understanding in the news domain. We design a set of new question types that are unique in testing models' ability of understanding multi-source multimodal news from a variety of different angles. We design a novel hybrid human-model QA generation process that addresses the issues of scalability and quality control in building a large dataset for cross-source news understanding. The dataset comprises 429 news groups, 1,405 videos, and 2,501 high-quality questions. Comprehensive evaluation of both closed- and open-source multimodal models shows that VNU-Bench poses substantial challenges for current MLLMs.
Authors: Charu Maheshwari, Vyas Raina
Abstract: User-Defined Text Classification (UDTC) considers the challenge of classifying input text to user-specified, previously unseen classes, a setting that arises frequently in real-world applications such as enterprise analytics, content moderation, and domain-specific information retrieval. We propose a soft-contextualized encoder architecture for UDTC which contextualizes each candidate label with the label set and a static soft prompt representation of the input query. Training on diverse, multi-source datasets enables the model to generalize effectively to zero-shot classification over entirely unseen topic sets drawn from arbitrary domains. We evaluate the proposed architecture both on held-out in-distribution test data and on multiple unseen UDTC benchmarks. Across datasets, the model achieves state-of-the-art performance, consistently outperforming or matching the baselines.
Authors: Mohammad Ali Javidian
Abstract: We study the problem of imputing a designated target variable that is systematically missing in a shifted deployment domain, when a Gaussian causal DAG is available from a fully observed source domain. We propose a unified EM-based framework that combines source and target data through the DAG structure to transfer information from observed variables to the missing target. On the methodological side, we formulate a population EM operator in the DAG parameter space and introduce a first-order (gradient) EM update that replaces the costly generalized least-squares M-step with a single projected gradient step. Under standard local strong-concavity and smoothness assumptions and a BWY-style \cite{Balakrishnan2017EM} gradient-stability (bounded missing-information) condition, we show that this first-order EM operator is locally contractive around the true target parameters, yielding geometric convergence and finite-sample guarantees on parameter error and the induced target-imputation error in Gaussian SEMs under covariate shift and local mechanism shifts. Algorithmically, we exploit the known causal DAG to freeze source-invariant mechanisms and re-estimate only those conditional distributions directly affected by the shift, making the procedure scalable to higher-dimensional models. In experiments on a synthetic seven-node SEM, the 64-node MAGIC-IRRI genetic network, and the Sachs protein-signaling data, the proposed DAG-aware first-order EM algorithm improves target imputation accuracy over a fit-on-source Bayesian network and a Kiiveri-style EM baseline, with the largest gains under pronounced domain shift.
Authors: Mehedi Hasan Shuvo, Md. Raihan Tapader, Nur Mohammad Tamjid, Sajjadul Islam, Ahnaf Atef Choudhury, Jia Uddin
Abstract: Progressive driver behavior analytics is crucial for improving road safety and mitigating the issues caused by aggressive or inattentive driving. Previous studies have employed machine learning and deep learning techniques, which often result in low feature optimization, thereby compromising both high performance and interpretability. To fill these voids, this paper proposes a hybrid approach to driver behavior analysis that uses a 12,857-row and 18-column data set taken from Kaggle. After applying preprocessing techniques such as label encoding, random oversampling, and standard scaling, 13 machine learning algorithms were tested. The Random Forest Classifier achieved an accuracy of 95%. After deploying the LIME technique in XAI, the top 10 features with the most significant positive and negative influence on accuracy were identified, and the same algorithms were retrained. The accuracy of the Random Forest Classifier decreased slightly to 94.2%, confirming that the efficiency of the model can be improved without sacrificing performance. This hybrid model can provide a return on investment in terms of the predictive power and explainability of the driver behavior process.
Authors: Kaiyuan Deng, Hangyu Zheng, Minghai Qing, Kunxiong Zhu, Gen Li, Yang Xiao, Lan Emily Zhang, Linke Guo, Bo Hui, Yanzhi Wang, Geng Yuan, Gagan Agrawal, Wei Niu, Xiaolong Ma
Abstract: Deploying models, especially large language models (LLMs), is becoming increasingly attractive to a broader user base, including those without specialized expertise. However, due to the resource constraints of certain hardware, maintaining high accuracy with larger model while meeting the hardware requirements remains a significant challenge. Model quantization technique helps mitigate memory and compute bottlenecks, yet the added complexities of tuning and deploying quantized models further exacerbates these challenges, making the process unfriendly to most of the users. We introduce the Hardware-Aware Quantization Agent (HAQA), an automated framework that leverages LLMs to streamline the entire quantization and deployment process by enabling efficient hyperparameter tuning and hardware configuration, thereby simultaneously improving deployment quality and ease of use for a broad range of users. Our results demonstrate up to a 2.3x speedup in inference, along with increased throughput and improved accuracy compared to unoptimized models on Llama. Additionally, HAQA is designed to implement adaptive quantization strategies across diverse hardware platforms, as it automatically finds optimal settings even when they appear counterintuitive, thereby reducing extensive manual effort and demonstrating superior adaptability. Code will be released.
Authors: Longwen Wang, Xuan'er Wu, Xiaohui Hu, Yirui Liu, Yuankai Fan, Kaidong Yu, Qizhen Weng, Wei Xi, Xuelong Li
Abstract: Effective reward design is a central challenge in Reinforcement Learning (RL) for code generation. Mainstream pass/fail outcome rewards enforce functional correctness via executing unit tests, but the resulting sparsity limits potential performance gains. While recent work has explored external Reward Models (RM) to generate richer, continuous rewards, the learned RMs suffer from reward misalignment and prohibitive computational cost. In this paper, we introduce \textbf{VeRPO} (\textbf{V}erifiable D\textbf{e}nse \textbf{R}eward \textbf{P}olicy \textbf{O}ptimization), a novel RL framework for code generation that synthesizes \textit{robust and dense rewards fully grounded in verifiable execution feedback}. The core idea of VeRPO is constructing dense rewards from weighted partial success: by dynamically estimating the difficulty weight of each unit test based on the execution statistics during training, a dense reward is derived from the sum of weights of the passed unit tests. To solidify the consistency between partial success and end-to-end functional correctness, VeRPO further integrates the dense signal with global execution outcomes, establishing a robust and dense reward paradigm relying solely on verifiable execution feedback. Extensive experiments across diverse benchmarks and settings demonstrate that VeRPO consistently outperforms outcome-driven and RM-based baselines, achieving up to +8.83\% gain in pass@1 with negligible time cost (< 0.02\%) and zero GPU memory overhead.
Authors: Hao Tang, Hao Chen, Hao Li, Chao Li
Abstract: Spherical deep learning has been widely applied to a broad range of real-world problems. Existing approaches often face challenges in balancing strong spherical geometric inductive biases with the need to model real-world heterogeneity. To solve this while retaining spherical geometry, we first introduce a designable Green's function framework (DGF) to provide new spherical operator solution strategy: Design systematic Green's functions under rotational group. Based on DGF, to model biological heterogeneity, we propose Green's-Function Spherical Neural Operator (GSNO) fusing 3 operator solutions: (1) Equivariant Solution derived from Equivariant Green's Function for symmetry-consistent modeling; (2) Invariant Solution derived from Invariant Green's Function to eliminate nuisance heterogeneity, e.g., consistent background field; (3) Anisotropic Solution derived from Anisotropic Green's Function to model anisotropic systems, especially fibers with preferred direction. Therefore, the resulting model, GSNO can adapt to real-world heterogeneous systems with nuisance variability and anisotropy while retaining spectral efficiency. Evaluations on spherical MNIST, Shallow Water Equation, diffusion MRI fiber prediction, cortical parcellation and molecule structure modeling demonstrate the superiority of GSNO.
Authors: Vaibhav Gupta, Florian Grensing, Beyza Cinar, Maria Maleshkova
Abstract: Chronic diseases such as diabetes pose significant management challenges, particularly due to the risk of complications like hypoglycemia, which require timely detection and intervention. Continuous health monitoring through wearable sensors offers a promising solution for early prediction of glycemic events. However, effective use of multisensor data is hindered by issues such as signal noise and frequent missing values. This study examines the limitations of existing datasets and emphasizes the temporal characteristics of key features relevant to hypoglycemia prediction. A comprehensive analysis of imputation techniques is conducted, focusing on those employed in state-of-the-art studies. Furthermore, imputation methods derived from machine learning and deep learning applications in other healthcare contexts are evaluated for their potential to address longer gaps in time-series data. Based on this analysis, a systematic paradigm is proposed, wherein imputation strategies are tailored to the nature of specific features and the duration of missing intervals. The review concludes by emphasizing the importance of investigating the temporal dynamics of individual features and the implementation of multiple, feature-specific imputation techniques to effectively address heterogeneous temporal patterns inherent in the data.
Authors: Yuansan Liu, Antoinette Tordesillas, James Bailey
Abstract: Local Intrinsic Dimensionality (LID) has shown strong potential for identifying anomalies and outliers in high-dimensional data across a wide range of real-world applications, including landslide failure detection in granular media. Early and accurate identification of failure zones in landslide-prone areas is crucial for effective geohazard mitigation. While existing approaches typically rely on surface displacement data analyzed through statistical or machine learning techniques, they often fall short in capturing both the spatial correlations and temporal dynamics that are inherent in such data. To address this gap, we focus on ground-monitored landslides and introduce a novel approach that jointly incorporates spatial and temporal information, enabling the detection of complex landslides and including multiple successive failures occurring in distinct areas of the same slope. To be specific, our method builds upon an existing LID-based technique, known as sLID. We extend its capabilities in three key ways. (1) Kinematic enhancement: we incorporate velocity into the sLID computation to better capture short-term temporal dependencies and deformation rate relationships. (2) Spatial fusion: we apply Bayesian estimation to aggregate sLID values across spatial neighborhoods, effectively embedding spatial correlations into the LID scores. (3) Temporal modeling: we introduce a temporal variant, tLID, that learns long-term dynamics from time series data, providing a robust temporal representation of displacement behavior. Finally, we integrate both components into a unified framework, referred to as spatiotemporal LID (stLID), to identify samples that are anomalous in either or both dimensions. Extensive experiments show that stLID consistently outperforms existing methods in failure detection precision and lead-time.
Authors: Ye Su, Yong Liu
Abstract: Mixture-of-Experts models enable large language models to scale efficiently, as they only activate a subset of experts for each input. Their core mechanisms, Top-k routing and auxiliary load balancing, remain heuristic, however, lacking a cohesive theoretical underpinning to support them. To this end, we build the first unified theoretical framework that rigorously derives these practices as optimal sparse posterior approximation and prior regularization from a Bayesian perspective, while simultaneously framing them as mechanisms to minimize routing ambiguity and maximize channel capacity from an information-theoretic perspective. We also pinpoint the inherent combinatorial hardness of routing, defining it as the NP-hard sparse subset selection problem. We rigorously prove the existence of a "Coherence Barrier"; when expert representations exhibit high mutual coherence, greedy routing strategies theoretically fail to recover the optimal expert subset. Importantly, we formally verify that imposing geometric orthogonality in the expert feature space is sufficient to narrow the divide between the NP-hard global optimum and polynomial-time greedy approximation. Our comparative analyses confirm orthogonality regularization as the optimal engineering relaxation for large-scale models. Our work offers essential theoretical support and technical assurance for a deeper understanding and novel designs of MoE.
Authors: Ping Luo, Jiahuan Wang, Ziqing Wen, Tao Sun, Dongsheng Li
Abstract: Federated learning (FL) enables collaborative model training across distributed clients without sharing raw data, yet its stability is fundamentally challenged by statistical heterogeneity in realistic deployments. Here, we show that client heterogeneity destabilizes FL primarily by distorting local gradient dynamics during client-side optimization, causing systematic drift that accumulates across communication rounds and impedes global convergence. This observation highlights local gradients as a key regulatory lever for stabilizing heterogeneous FL systems. Building on this insight, we develop a general client-side perspective that regulates local gradient contributions without incurring additional communication overhead. Inspired by swarm intelligence, we instantiate this perspective through Exploratory--Convergent Gradient Re-aggregation (ECGR), which balances well-aligned and misaligned gradient components to preserve informative updates while suppressing destabilizing effects. Theoretical analysis and extensive experiments, including evaluations on the LC25000 medical imaging dataset, demonstrate that regulating local gradient dynamics consistently stabilizes federated learning across state-of-the-art methods under heterogeneous data distributions.
Authors: Xiao Lin, Philip Li, Zhichen Zeng, Tingwei Li, Tianxin Wei, Xuying Ning, Gaotang Li, Yuzhong Chen, Hanghang Tong
Abstract: Despite rich safety alignment strategies, large language models (LLMs) remain highly susceptible to jailbreak attacks, which compromise safety guardrails and pose serious security risks. Existing detection methods mainly detect jailbreak status relying on jailbreak templates present in the training data. However, few studies address the more realistic and challenging zero-shot jailbreak detection setting, where no jailbreak templates are available during training. This setting better reflects real-world scenarios where new attacks continually emerge and evolve. To address this challenge, we propose a layer-wise, module-wise, and token-wise amplification framework that progressively magnifies internal feature discrepancies between benign and jailbreak prompts. We uncover safety-relevant layers, identify specific modules that inherently encode zero-shot discriminative signals, and localize informative safety tokens. Building upon these insights, we introduce ALERT (Amplification-based Jailbreak Detector), an efficient and effective zero-shot jailbreak detector that introduces two independent yet complementary classifiers on amplified representations. Extensive experiments on three safety benchmarks demonstrate that ALERT achieves consistently strong zero-shot detection performance. Specifically, (i) across all datasets and attack strategies, ALERT reliably ranks among the top two methods, and (ii) it outperforms the second-best baseline by at least 10% in average Accuracy and F1-score, and sometimes by up to 40%.
Authors: Kaidong Feng, Zhu Sun, Roy Ka-Wei Lee, Xun Jiang, Yin-Leng Theng, Yi Ding
Abstract: Smartphone sensing offers an unobtrusive and scalable way to track daily behaviors linked to mental health, capturing changes in sleep, mobility, and phone use that often precede symptoms of stress, anxiety, or depression. While most prior studies focus on detection that responds to existing conditions, forecasting mental health enables proactive support through Just-in-Time Adaptive Interventions. In this paper, we present the first comprehensive benchmarking study comparing traditional machine learning (ML), deep learning (DL), and large language model (LLM) approaches for mental health forecasting using the College Experience Sensing (CES) dataset, the most extensive longitudinal dataset of college student mental health to date. We systematically evaluate models across temporal windows, feature granularities, personalization strategies, and class imbalance handling. Our results show that DL models, particularly Transformer (Macro-F1 = 0.58), achieve the best overall performance, while LLMs show strength in contextual reasoning but weaker temporal modeling. Personalization substantially improves forecasts of severe mental health states. By revealing how different modeling approaches interpret phone sensing behavioral data over time, this work lays the groundwork for next-generation, adaptive, and human-centered mental health technologies that can advance both research and real-world well-being.
Authors: Sumedh Pendurkar, Guni Sharon
Abstract: Recent studies explored integrating state-space search algorithms with Language Models (LM) to perform look-ahead on the token generation process, the ''Tree-of-Thoughts'' (ToT), generated by LMs, thereby improving performance on problem-solving tasks. However, the affiliated search algorithms often overlook the significant computational costs associated with LM inference, particularly in scenarios with constrained computational budgets. Consequently, we address the problem of improving LM performance on problem-solving tasks under limited computational budgets. We demonstrate how the probabilities assigned to thoughts by LMs can serve as a heuristic to guide search within the ToT framework, thereby reducing the number of thought evaluations. Building on this insight, we adapt a heuristic search algorithm, Levin Tree Search (LTS), to the ToT framework, which leverages LMs as policies to guide the tree exploration efficiently. We extend the theoretical results of LTS by showing that, for ToT (a pruned tree), LTS guarantees a bound on the number of states expanded, and consequently, on the number of thoughts generated. Additionally, we analyze the sensitivity of this bound to the temperature values commonly used in the final softmax layer of the LM. Empirical evaluation under a fixed LM query budget demonstrates that LTS consistently achieves comparable or higher accuracy than baseline search algorithms within the ToT framework, across three domains (Blocksworld, PrOntoQA, Array Sorting) and four distinct LMs. These findings highlight the efficacy of LTS on ToT, particularly in enabling cost-effective and time-efficient problem-solving, making it well-suited for latency-critical and resource-constrained applications.
Authors: Joonwon Seo
Abstract: This monograph introduces a novel approach to polyphonic music generation by addressing the "Missing Middle" problem through structural inductive bias. Focusing on Beethoven's piano sonatas as a case study, we empirically verify the independence of pitch and hand attributes using normalized mutual information (NMI=0.167) and propose the Smart Embedding architecture, achieving a 48.30% reduction in parameters. We provide rigorous mathematical proofs using information theory (negligible loss bounded at 0.153 bits), Rademacher complexity (28.09% tighter generalization bound), and category theory to demonstrate improved stability and generalization. Empirical results show a 9.47% reduction in validation loss, confirmed by SVD analysis and an expert listening study (N=53). This dual theoretical and applied framework bridges gaps in AI music generation, offering verifiable insights for mathematically grounded deep learning.
Authors: Dmytro Matsypura, Yu Pan, Hanzhao Wang
Abstract: Digital twins and other simulators are increasingly used to support routing decisions in large-scale networks. However, simulator outputs often exhibit systematic bias, while ground-truth measurements are costly and scarce. We study a stochastic shortest-path problem in which a planner has access to abundant synthetic samples, limited real-world observations, and an edge-similarity structure capturing expected behavioral similarity across links. We model the simulator-to-reality discrepancy as an unknown, edge-specific bias that varies smoothly over the similarity graph, and estimate it using Laplacian-regularized least squares. This approach yields calibrated edge cost estimates even in data-scarce regimes. We establish finite-sample error bounds, translate estimation error into path-level suboptimality guarantees, and propose a computable, data-driven certificate that verifies near-optimality of a candidate route. For cold-start settings without initial real data, we develop a bias-aware active learning algorithm that leverages the simulator and adaptively selects edges to measure until a prescribed accuracy is met. Numerical experiments on multiple road networks and traffic graphs further demonstrate the effectiveness of our methods.
Authors: Sachin Saini, Uaday Singh
Abstract: Artificial neural network operators (ANNOs) have been widely used for approximating deterministic input-output functions; however, their extension to random dynamics remains comparatively unexplored. In this paper, we construct a new class of \textbf{Kantorovich-type Stochastic Neural Network Operators (K-SNNOs)} in which randomness is incorporated not at the coefficient level, but through \textbf{stochastic neurons} driven by stochastic integrators. This framework enables the operator to inherit the probabilistic structure of the underlying process, making it suitable for modeling and approximating stochastic signals. We establish mean-square convergence of K-SNNOs to the target stochastic process and derive quantitative error estimates expressing the rate of approximation in terms of the modulus of continuity. Numerical simulations further validate the theoretical results by demonstrating accurate reconstruction of sample paths and rapid decay of the mean square error (MSE). Graphical results, including sample-wise approximations and empirical MSE behaviour, illustrate the robustness and effectiveness of the proposed stochastic-neuron-based operator.
Authors: Zhengyi Kwan, Zhang Wei, Aik Beng Ng, Zhengkui Wang, Simon See
Abstract: Job scheduling is widely used in real-world manufacturing systems to assign ordered job operations to machines under various constraints. Existing solutions remain limited by long running time or insufficient schedule quality, especially when problem scale increases. In this paper, we propose ReLA, a reinforcement-learning (RL) scheduler built on structured representation learning and aggregation. ReLA first learns diverse representations from scheduling entities, including job operations and machines, using two intra-entity learning modules with self-attention and convolution and one inter-entity learning module with cross-attention. These modules are applied in a multi-scale architecture, and their outputs are aggregated to support RL decision-making. Across experiments on small, medium, and large job instances, ReLA achieves the best makespan in most tested settings over the latest solutions. On non-large instances, ReLA reduces the optimality gap of the SOTA baseline by 13.0%, while on large-scale instances it reduces the gap by 78.6%, with the average optimality gaps lowered to 7.3% and 2.1%, respectively. These results confirm that ReLA's learned representations and aggregation provide strong decision support for RL scheduling, and enable fast job completion and decision-making for real-world applications.
Authors: Bahadur Yadav, Sanjay Kumar Mohanty
Abstract: In this study, we present a quantum computing method that incorporates ridglet transforms into the quantum processing pipelines for time series data. Here, the Ridgelet neural network is integrated with a single-qubit quantum computing method, which improves feature extraction and forecasting capabilities. Furthermore, experimental results using financial time series data demonstrate the superior performance of our model compared to existing models.
Authors: Ricardo Knauer, Erik Rodner
Abstract: Foundation models are powerful yet often opaque in their decision-making. A topic of continued interest in both neuroscience and artificial intelligence is whether some neurons behave like grandmother cells, i.e., neurons that are inherently interpretable because they exclusively respond to single concepts. In this work, we propose two information-theoretic measures that quantify the neuronal saliency and selectivity for single concepts. We apply these metrics to the representations of TabPFN, a tabular foundation model, and perform a simple search across neuron-concept pairs to find the most salient and selective pair. Our analysis provides the first evidence that some neurons in such models show moderate, statistically significant saliency and selectivity for high-level concepts. These findings suggest that interpretable neurons can emerge naturally and that they can, in some cases, be identified without resorting to more complex interpretability techniques.
Authors: Basile Tousside, Janis Mohr, J\"org Frochte
Abstract: We present a regularization-based approach for continual learning (CL) of fixed capacity convolutional neural networks (CNN) that does not suffer from the problem of catastrophic forgetting when learning multiple tasks sequentially. This method referred to as Group and Exclusive Sparsity based Continual Learning (GESCL) avoids forgetting of previous tasks by ensuring the stability of the CNN via a stability regularization term, which prevents filters detected as important for past tasks to deviate too much when learning a new task. On top of that, GESCL makes the network plastic via a plasticity regularization term that leverage the over-parameterization of CNNs to efficiently sparsify the network and tunes unimportant filters making them relevant for future tasks. Doing so, GESCL deals with significantly less parameters and computation compared to CL approaches that either dynamically expand the network or memorize past tasks' data. Experiments on popular CL vision benchmarks show that GESCL leads to significant improvements over state-of-the-art method in terms of overall CL performance, as measured by classification accuracy as well as in terms of avoiding catastrophic forgetting.
Authors: Amir Hossein Yari, Fajri Koto
Abstract: Reinforcement learning has become the primary paradigm for aligning large language models (LLMs) on complex reasoning tasks, with group relative policy optimization (GRPO) widely used in large-scale post-training. However, GRPO faces structural limitations in reasoning-heavy settings: sequence-level advantage normalization introduces systematic length bias, penalties for low-quality trajectories are diluted, and the scalar objective discards rich pairwise preference information embedded in within-group reward rankings. As a result, valuable supervision from costly rollouts remains underutilized. We propose AMIR-GRPO, which augments GRPO with an implicit DPO-style contrastive regularizer constructed directly from intra-group reward rankings, requiring no additional annotations. This mechanism amplifies suppression of low-reward trajectories, attenuates response-level length bias, and transforms each rollout group into a denser set of supervision constraints. Across multiple mathematical reasoning benchmarks, AMIR-GRPO consistently outperforms strong GRPO baselines, yields clearer separation between correct and incorrect reasoning chains, and delivers broader coverage gains beyond the subset of instances solved by standard GRPO.
Authors: Yang Cao
Abstract: Anomaly detection aims to identify data instances that deviate significantly from majority of data, which has been widely used in fraud detection, network security, and industrial quality control. Existing methods struggle with datasets exhibiting varying local densities: distance-based methods miss local anomalies, while density-based approaches require careful parameter selection and incur quadratic time complexity. We observe that local anomalies, though indistinguishable under global analysis, become conspicuous when the data space is decomposed into restricted regions and each region is examined independently. Leveraging this geometric insight, we propose SVEAD (Stochastic Voronoi Ensembles Anomaly Detector), which constructs ensemble random Voronoi diagrams and scores points by normalized cell-relative distances weighted by local scale. The proposed method achieves linear time complexity and constant space complexity. Experiments on 45 datasets demonstrate that SVEAD outperforms 12 state-of-the-art approaches.
Authors: Ibai Ramirez, Jokin Alcibar, Joel Pino, Mikel Sanz, Jose I. Aizpurua
Abstract: Physics-Informed Neural Networks (PINNs) provide a framework for integrating physical laws with data. However, their application to Prognostics and Health Management (PHM) remains constrained by the limited uncertainty quantification (UQ) capabilities. Most existing PINN-based prognostics approaches are deterministic or account only for epistemic uncertainty, limiting their suitability for risk-aware decision-making. This work introduces a heteroscedastic Bayesian Physics-Informed Neural Network (B-PINN) framework that jointly models epistemic and aleatoric uncertainty, yielding full predictive posteriors for spatiotemporal insulation material ageing estimation. The approach integrates Bayesian Neural Networks (BNNs) with physics-based residual enforcement and prior distributions, enabling probabilistic inference within a physics-informed learning architecture. The framework is evaluated on transformer insulation ageing application, validated with a finite-element thermal model and field measurements from a solar power plant, and benchmarked against deterministic PINNs, dropout-based PINNs (d-PINNs), and alternative B-PINN variants. Results show that the proposed B-PINN provides improved predictive accuracy and better-calibrated uncertainty estimates than competing approaches. A systematic sensitivity study further analyzes the impact of boundary-condition, initial-condition, and residual sampling strategies on accuracy, calibration, and generalization. Overall, the findings highlight the potential of Bayesian physics-informed learning to support uncertainty-aware prognostics and informed decision-making in transformer asset management.
Authors: Xin Lai, Shiming Deng, Lu Yu, Yumin Lai, Shenghao Qiao, Xinze Zhang
Abstract: Time series forecasting plays a crucial role in contemporary engineering information systems for supporting decision-making across various industries, where Recurrent Neural Networks (RNNs) have been widely adopted due to their capability in modeling sequential data. Conventional RNN-based predictors adopt an encoder-only strategy with sliding historical windows as inputs to forecast future values. However, this approach treats all time steps and hidden states equally without considering their distinct contributions to forecasting, leading to suboptimal performance. To address this limitation, we propose a novel Reinforced Recurrent Encoder with Prediction-oriented Proximal Policy Optimization, RRE-PPO4Pred, which significantly improves time series modeling capacity and forecasting accuracy of the RNN models. The core innovations of this method are: (1) A novel Reinforced Recurrent Encoder (RRE) framework that enhances RNNs by formulating their internal adaptation as a Markov Decision Process, creating a unified decision environment capable of learning input feature selection, hidden skip connection, and output target selection; (2) An improved Prediction-oriented Proximal Policy Optimization algorithm, termed PPO4Pred, which is equipped with a Transformer-based agent for temporal reasoning and develops a dynamic transition sampling strategy to enhance sampling efficiency; (3) A co-evolutionary optimization paradigm to facilitate the learning of the RNN predictor and the policy agent, providing adaptive and interactive time series modeling. Comprehensive evaluations on five real-world datasets indicate that our method consistently outperforms existing baselines, and attains accuracy better than state-of-the-art Transformer models, thus providing an advanced time series predictor in engineering informatics.
Authors: Weiqi Liu, Fenglei Cao, Yuan Qi, Li-Cheng Xu
Abstract: With the rise of data-driven reaction prediction models, effective reaction descriptors are crucial for bridging the gap between real-world chemistry and digital representations. However, general-purpose, reaction-wise descriptors remain scarce. This study introduces RXNEmb, a novel reaction-level descriptor derived from RXNGraphormer, a model pre-trained to distinguish real reactions from fictitious ones with erroneous bond changes, thereby learning intrinsic bond formation and cleavage patterns. We demonstrate its utility by data-driven re-clustering of the USPTO-50k dataset, yielding a classification that more directly reflects bond-change similarities than rule-based categories. Combined with dimensionality reduction, RXNEmb enables visualization of reaction space diversity. Furthermore, attention weight analysis reveals the model's focus on chemically critical sites, providing mechanistic insight. RXNEmb serves as a powerful, interpretable tool for reaction fingerprinting and analysis, paving the way for more data-centric approaches in reaction analysis and discovery.
Authors: Xiuling Wang, Xin Huang, Guibo Luo, Jianliang Xu
Abstract: Graph generative diffusion models have recently emerged as a powerful paradigm for generating complex graph structures, effectively capturing intricate dependencies and relationships within graph data. However, the privacy risks associated with these models remain largely unexplored. In this paper, we investigate information leakage in such models through three types of black-box inference attacks. First, we design a graph reconstruction attack, which can reconstruct graphs structurally similar to those training graphs from the generated graphs. Second, we propose a property inference attack to infer the properties of the training graphs, such as the average graph density and the distribution of densities, from the generated graphs. Third, we develop two membership inference attacks to determine whether a given graph is present in the training set. Extensive experiments on three different types of graph generative diffusion models and six real-world graphs demonstrate the effectiveness of these attacks, significantly outperforming the baseline approaches. Finally, we propose two defense mechanisms that mitigate these inference attacks and achieve a better trade-off between defense strength and target model utility than existing methods. Our code is available at https://zenodo.org/records/17946102.
Authors: Lang Cao, Hui Ruan, Yongqian Li, Peng Chao, Wu Ning, Haonan Song, Renhong Chen, Yitong Li
Abstract: Reinforcement learning with group-based objectives, such as Group Relative Policy Optimization (GRPO), is a common framework for aligning large language models on complex reasoning tasks. However, standard GRPO treats each rollout trajectory as an independent flat sequence and assigns a single sequence-level advantage to all tokens, which leads to sample inefficiency and a length bias toward verbose, redundant chains of thought without improving logical depth. We introduce TreeAdv (Tree-Structured Advantage Redistribution for Group-Based RL), which makes the tree structure of group rollouts explicit for both exploration and advantage assignment. Specifically, TreeAdv builds a group of trees (a forest) based on an entropy-driven sampling method where each tree branches at high-uncertainty decisions while sharing low-uncertainty tokens across rollouts. Then, TreeAdv aggregates token-level advantages for internal tree segments by redistributing the advantages of complete rollouts (all leaf nodes), and TreeAdv can easily apply to group-based objectives such as GRPO or GSPO. Across 10 math reasoning benchmarks, TreeAdv consistently outperforms GRPO and GSPO, while using substantially fewer generated tokens under identical supervision, data, and decoding budgets.
Authors: Wajid Arshad Abbasi, Syed Ali Abbas, Maryum Bibi, Saiqa Andleeb, Muhammad Naveed Akhtar
Abstract: The trade-off between predictive accuracy and data availability makes it difficult to predict protein--protein binding affinity accurately. The lack of experimentally resolved protein structures limits the performance of structure-based machine learning models, which generally outperform sequence-based methods. In order to overcome this constraint, we suggest a regression framework based on knowledge distillation that uses protein structural data during training and only needs sequence data during inference. The suggested method uses binding affinity labels and intermediate feature representations to jointly supervise the training of a sequence-based student network under the guidance of a structure-informed teacher network. Leave-One-Complex-Out (LOCO) cross-validation was used to assess the framework on a non-redundant protein--protein binding affinity benchmark dataset. A maximum Pearson correlation coefficient (P_r) of 0.375 and an RMSE of 2.712 kcal/mol were obtained by sequence-only baseline models, whereas a P_r of 0.512 and an RMSE of 2.445 kcal/mol were obtained by structure-based models. With a P_r of 0.481 and an RMSE of 2.488 kcal/mol, the distillation-based student model greatly enhanced sequence-only performance. Improved agreement and decreased bias were further confirmed by thorough error analyses. With the potential to close the performance gap between sequence-based and structure-based models as larger datasets become available, these findings show that knowledge distillation is an efficient method for transferring structural knowledge to sequence-based predictors. The source code for running inference with the proposed distillation-based binding affinity predictor can be accessed at https://github.com/wajidarshad/ProteinAffinityKD.
Authors: Gil Shabat
Abstract: Low-rank approximations of large kernel matrices are ubiquitous in machine learning, particularly for scaling Gaussian Processes to massive datasets. The Pivoted Cholesky decomposition is a standard tool for this task, offering a computationally efficient, greedy low-rank approximation. While its algebraic properties are well-documented in numerical linear algebra, its geometric intuition within the context of kernel methods often remains obscure. In this note, we elucidate the geometric interpretation of the algorithm within the Reproducing Kernel Hilbert Space (RKHS). We demonstrate that the pivotal selection step is mathematically equivalent to Farthest Point Sampling (FPS) using the kernel metric, and that the Cholesky factor construction is an implicit Gram-Schmidt orthogonalization. We provide a concise derivation and a minimalist Python implementation to bridge the gap between theory and practice.
Authors: Weijie Shi, Yanxi Chen, Zexi Li, Xuchen Pan, Yuchang Sun, Jiajie Xu, Xiaofang Zhou, Yaliang Li
Abstract: Reinforcement learning drives recent advances in LLM reasoning and agentic capabilities, yet current approaches struggle with both exploration and exploitation. Exploration suffers from low success rates on difficult tasks and high costs of repeated rollouts from scratch. Exploitation suffers from coarse credit assignment and training instability: Trajectory-level rewards penalize valid prefixes for later errors, and failure-dominated groups overwhelm the few positive signals, leaving optimization without constructive direction. To this end, we propose R$^3$L, Reflect-then-Retry Reinforcement Learning with Language-Guided Exploration, Pivotal Credit, and Positive Amplification. To synthesize high-quality trajectories, R$^3$L shifts from stochastic sampling to active synthesis via reflect-then-retry, leveraging language feedback to diagnose errors, transform failed attempts into successful ones, and reduce rollout costs by restarting from identified failure points. With errors diagnosed and localized, Pivotal Credit Assignment updates only the diverging suffix where contrastive signals exist, excluding the shared prefix from gradient update. Since failures dominate on difficult tasks and reflect-then-retry produces off-policy data, risking training instability, Positive Amplification upweights successful trajectories to ensure positive signals guide the optimization process. Experiments on agentic and reasoning tasks demonstrate 5\% to 52\% relative improvements over baselines while maintaining training stability. Our code is released at https://github.com/shiweijiezero/R3L.
Authors: Shijie Zhang, Kevin Zhang, Zheyuan Gu, Xiang Guo, Rujun Guo, Shaoyu Liu, Guanjun Jiang, Xiaozhao Wang
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as an important paradigm for unlocking reasoning capabilities in large language models, exemplified by the success of OpenAI o1 and DeepSeek-R1. Currently, Group Relative Policy Optimization (GRPO) stands as the dominant algorithm in this domain due to its stable training and critic-free efficiency. However, we argue that GRPO suffers from a structural limitation: it imposes a uniform, static trust region constraint across all samples. This design implicitly assumes signal homogeneity, a premise misaligned with the heterogeneous nature of outcome-driven learning, where advantage magnitudes and variances fluctuate significantly. Consequently, static constraints fail to fully exploit high-quality signals while insufficiently suppressing noise, often precipitating rapid entropy collapse. To address this, we propose \textbf{E}lastic \textbf{T}rust \textbf{R}egions (\textbf{ETR}), a dynamic mechanism that aligns optimization constraints with signal quality. ETR constructs a signal-aware landscape through dual-level elasticity: at the micro level, it scales clipping boundaries based on advantage magnitude to accelerate learning from high-confidence paths; at the macro level, it leverages group variance to implicitly allocate larger update budgets to tasks in the optimal learning zone. Extensive experiments on AIME and MATH benchmarks demonstrate that ETR consistently outperforms GRPO, achieving superior accuracy while effectively mitigating policy entropy degradation to ensure sustained exploration.
Authors: Jing-Cheng Pang, Liu Sun, Chang Zhou, Xian Tang, Haichuan Ma, Kun Jiang, Jianlong Wang, Kai Zhang, Sijie Wu, Haoran Cai, Chenwei Wu, Xubin Li, Xin Chen
Abstract: Domain-specific large language models (LLMs), typically developed by fine-tuning a pre-trained general-purpose LLM on specialized datasets, represent a significant advancement in applied AI. A common strategy in LLM fine-tuning is curriculum learning, which pre-orders training samples based on metrics like difficulty to improve learning efficiency compared to a random sampling strategy. However, most existing methods for LLM fine-tuning rely on a static curriculum, designed prior to training, which lacks adaptability to the model's evolving needs during fine-tuning. To address this, we propose EDCO, a novel framework based on two key concepts: inference entropy and dynamic curriculum orchestration. Inspired by recent findings that maintaining high answer entropy benefits long-term reasoning gains, EDCO prioritizes samples with high inference entropy in a continuously adapted curriculum. EDCO integrates three core components: an efficient entropy estimator that uses prefix tokens to approximate full-sequence entropy, an entropy-based curriculum generator that selects data points with the highest inference entropy, and an LLM trainer that optimizes the model on the selected curriculum. Comprehensive experiments in communication, medicine and law domains, EDCO outperforms traditional curriculum strategies for fine-tuning Qwen3-4B and Llama3.2-3B models under supervised and reinforcement learning settings. Furthermore, the proposed efficient entropy estimation reduces computational time by 83.5% while maintaining high accuracy.
Authors: Paulius Rauba, Viktor Cikojevic, Fran Bartolic, Sam Levang, Ty Dickinson, Chase Dwelle
Abstract: Weather forecasts sit upstream of high-stakes decisions in domains such as grid operations, aviation, agriculture, and emergency response. Yet forecast users often face a difficult trade-off. Many decision-relevant targets are functionals of the atmospheric state variables, such as extrema, accumulations, and threshold exceedances, rather than state variables themselves. As a result, users must estimate these targets via post-processing, which can be suboptimal and can introduce structural bias. The core issue is that decisions depend on distributions over these functionals that the model is not trained to learn directly. In this work, we introduce GEM-2, a probabilistic transformer that jointly learns global atmospheric dynamics alongside a suite of variables that users directly act upon. Using this training recipe, we show that a lightweight (~275M params) and computationally efficient (~20-100x training speedup relative to state-of-the-art) transformer trained on the CRPS objective can directly outperform operational numerical weather prediction (NWP) models and be competitive with ML models that rely on expensive multi-step diffusion processes or require bespoke multi-stage fine-tuning strategies. We further demonstrate state-of-the-art economic value metrics under decision-theoretic evaluation, stable convergence to climatology at S2S and seasonal timescales, and a surprising insensitivity to many commonly assumed architectural and training design choices.
Authors: Noam Levi
Abstract: We analyze neural scaling laws in a solvable model of last-layer fine-tuning where targets have intrinsic, instance-heterogeneous difficulty. In our Latent Instance Difficulty (LID) model, each input's target variance is governed by a latent ``precision'' drawn from a heavy-tailed distribution. While generalization loss recovers standard scaling laws, our main contribution connects this to inference. The pass@$k$ failure rate exhibits a power-law decay, $k^{-\beta_\text{eff}}$, but the observed exponent $\beta_\text{eff}$ is training-dependent. It grows with sample size $N$ before saturating at an intrinsic limit $\beta$ set by the difficulty distribution's tail. This coupling reveals that learning shrinks the ``hard tail'' of the error distribution: improvements in the model's generalization error steepen the pass@$k$ curve until irreducible target variance dominates. The LID model yields testable, closed-form predictions for this behavior, including a compute-allocation rule that favors training before saturation and inference attempts after. We validate these predictions in simulations and in two real-data proxies: CIFAR-10H (human-label variance) and a maths teacher-student distillation task.
Authors: Sebastian M\"uller, Tobias Schneider, Ruben Kemna, Vanessa Toborek
Abstract: Models trained on tabular data are widely used in sensitive domains, increasing the demand for explanation methods to meet transparency needs. CFIRE is a recent algorithm in this domain that constructs compact surrogate rule models from local explanations. While effective, CFIRE may assign rules associated with different classes to the same sample, introducing ambiguity. We investigate this ambiguity and propose a post-hoc pruning strategy that removes rules with low contribution or conflicting coverage, yielding smaller and less ambiguous models while preserving fidelity. Experiments across multiple datasets confirm these improvements with minimal impact on predictive performance.
Authors: Sethupathy Parameswaran, Suresh Sundaram, Yuan Fang
Abstract: Node classification is a fundamental problem in information retrieval with many real-world applications, such as community detection in social networks, grouping articles published online and product categorization in e-commerce. Zero-shot node classification in text-attributed graphs (TAGs) presents a significant challenge, particularly due to the absence of labeled data. In this paper, we propose a novel Zero-shot Prompt Tuning (ZPT) framework to address this problem by leveraging a Universal Bimodal Conditional Generator (UBCG). Our approach begins with pre-training a graph-language model to capture both the graph structure and the associated textual descriptions of each node. Following this, a conditional generative model is trained to learn the joint distribution of nodes in both graph and text modalities, enabling the generation of synthetic samples for each class based solely on the class name. These synthetic node and text embeddings are subsequently used to perform continuous prompt tuning, facilitating effective node classification in a zero-shot setting. Furthermore, we conduct extensive experiments on multiple benchmark datasets, demonstrating that our framework performs better than existing state-of-the-art baselines. We also provide ablation studies to validate the contribution of the bimodal generator. The code is provided at: https://github.com/Sethup123/ZPT.
Authors: Rehan Ahmad, Muhammad Kashif, Nouhaila Innan, Muhammad Shafique
Abstract: In this paper, we present a reproducible benchmarking framework that systematically compares QML models with architecture-matched classical counterparts across three financial tasks: (i) directional return prediction on U.S. and Turkish equities, (ii) live-trading simulation with Quantum LSTMs versus classical LSTMs on the S\&P 500, and (iii) realized volatility forecasting using Quantum Support Vector Regression. By standardizing data splits, features, and evaluation metrics, our study provides a fair assessment of when current-generation QML models can match or exceed classical methods. Our results reveal that quantum approaches show performance gains when data structure and circuit design are well aligned. In directional classification, hybrid quantum neural networks surpass the parameter-matched ANN by \textbf{+3.8 AUC} and \textbf{+3.4 accuracy points} on \texttt{AAPL} stock and by \textbf{+4.9 AUC} and \textbf{+3.6 accuracy points} on Turkish stock \texttt{KCHOL}. In live trading, the QLSTM achieves higher risk-adjusted returns in \textbf{two of four} S\&P~500 regimes. For volatility forecasting, an angle-encoded QSVR attains the \textbf{lowest QLIKE} on \texttt{KCHOL} and remains within $\sim$0.02-0.04 QLIKE of the best classical kernels on \texttt{S\&P~500} and \texttt{AAPL}. Our benchmarking framework clearly identifies the scenarios where current QML architectures offer tangible improvements and where established classical methods continue to dominate.
Authors: Arpad Berta, Gabor Danner, Istvan Hegedus, Mark Jelasity
Abstract: Detecting semantic backdoors in classification models--where some classes can be activated by certain natural, but out-of-distribution inputs--is an important problem that has received relatively little attention. Semantic backdoors are significantly harder to detect than backdoors that are based on trigger patterns due to the lack of such clearly identifiable patterns. We tackle this problem under the assumption that the clean training dataset and the training recipe of the model are both known. These assumptions are motivated by a consumer protection scenario, in which the responsible authority performs mystery shopping to test a machine learning service provider. In this scenario, the authority uses the provider's resources and tools to train a model on a given dataset and tests whether the provider included a backdoor. In our proposed approach, the authority creates a reference model pool by training a small number of clean and poisoned models using trusted infrastructure, and calibrates a model distance threshold to identify clean models. We propose and experimentally analyze a number of approaches to compute model distances and we also test a scenario where the provider performs an adaptive attack to avoid detection. The most reliable method is based on requesting adversarial training from the provider. The model distance is best measured using a set of input samples generated by inverting the models in such a way as to maximize the distance from clean samples. With these settings, our method can often completely separate clean and poisoned models, and it proves to be superior to state-of-the-art backdoor detectors as well.
Authors: Nijesh Upreti (The University of Edinburgh), Vaishak Belle (The University of Edinburgh)
Abstract: In this paper, we introduce Logic Tensor Network-Enhanced Generative Adversarial Network (LTN-GAN), a novel framework that enhances Generative Adversarial Networks (GANs) by incorporating Logic Tensor Networks (LTNs) to enforce domain-specific logical constraints during the sample generation process. Although GANs have shown remarkable success in generating realistic data, they often lack mechanisms to incorporate prior knowledge or enforce logical consistency, limiting their applicability in domains requiring rule adherence. LTNs provide a principled way to integrate first-order logic with neural networks, enabling models to reason over and satisfy logical constraints. By combining the strengths of GANs for realistic data synthesis with LTNs for logical reasoning, we gain valuable insights into how logical constraints influence the generative process while improving both the diversity and logical consistency of the generated samples. We evaluate LTN-GAN across multiple datasets, including synthetic datasets (gaussian, grid, rings) and the MNIST dataset, demonstrating that our model significantly outperforms traditional GANs in terms of adherence to predefined logical constraints while maintaining the quality and diversity of generated samples. This work highlights the potential of neuro-symbolic approaches to enhance generative modeling in knowledge-intensive domains.
Authors: Shudong Liu, Hanwen Zhang, Xiuling Wang, Yuesheng Zhu, Guibo Luo
Abstract: One-shot federated learning (OSFL) reduces the communication cost and privacy risks of iterative federated learning by constructing a global model with a single round of communication. However, most existing methods struggle to achieve robust performance on real-world domains such as medical imaging, or are inefficient when handling non-IID (Independent and Identically Distributed) data. To address these limitations, we introduce FALCON, a framework that enhances the effectiveness of OSFL over non-IID image data. The core idea of FALCON is to leverage the feature-aware hierarchical token sequences generation and knowledge distillation into OSFL. First, each client leverages a pretrained visual encoder with hierarchical scale encoding to compress images into hierarchical token sequences, which capture multi-scale semantics. Second, a multi-scale autoregressive transformer generator is used to model the distribution of these token sequences and generate the synthetic sequences. Third, clients upload the synthetic sequences along with the local classifier trained on the real token sequences to the server. Finally, the server incorporates knowledge distillation into global training to reduce reliance on precise distribution modeling. Experiments on medical and natural image datasets validate the effectiveness of FALCON in diverse non-IID scenarios, outperforming the best OSFL baselines by 9.58% in average accuracy.
Authors: Ibrahim Delibasoglu
Abstract: Mixture of Experts (MoE) architectures enable efficient scaling of neural networks but suffer from expert collapse, where routing converges to a few dominant experts. This reduces model capacity and causes catastrophic interference during adaptation. We propose the Spectrally-Regularized Mixture of Experts (SR-MoE), which imposes geometric constraints on the routing manifold to enforce structural modularity. Our method uses dual regularization: spectral norm constraints bound routing function Lipschitz continuity, while stable rank penalties preserve high-dimensional feature diversity in expert selection. We evaluate SR-MoE across architectural scales and dataset complexities using modular one-shot adaptation tasks. Results show that traditional linear gating fails with increasing depth (accuracy drops up to 4.72% due to expert entanglement), while SR-MoE maintains structural integrity (mean interference -0.32%). Our spectral constraints facilitate positive knowledge transfer, enabling localized expert updates without global performance decay. SR-MoE provides a general solution for building high-capacity, modular networks capable of stable lifelong learning.
Authors: Chi Liu, Xin Chen
Abstract: Group Relative Policy Optimization (GRPO) has emerged as a popular algorithm for reinforcement learning with large language models (LLMs). However, upon analyzing its clipping mechanism, we argue that it is suboptimal in certain scenarios. With appropriate modifications, GRPO can be significantly enhanced to improve both flexibility and generalization. To this end, we propose Adaptive-Boundary-Clipping GRPO (ABC-GRPO), an asymmetric and adaptive refinement of the original GRPO framework. We demonstrate that ABC-GRPO achieves superior performance over standard GRPO on mathematical reasoning tasks using the Qwen3 LLMs. Moreover, ABC-GRPO maintains substantially higher entropy throughout training, thereby preserving the model's exploration capacity and mitigating premature convergence. The implementation code is available online to ease reproducibility https://github.com/chi2liu/ABC-GRPO.
Authors: Akash Kumar
Abstract: We study when geometric simplicity of decision boundaries, used here as a notion of interpretability, can conflict with accurate approximation of axis-aligned decision trees by shallow neural networks. Decision trees induce rule-based, axis-aligned decision regions (finite unions of boxes), whereas shallow ReLU networks are typically trained as score models whose predictions are obtained by thresholding. We analyze the infinite-width, bounded-norm, single-hidden-layer ReLU class through the Radon total variation ($\mathrm{R}\mathrm{TV}$) seminorm, which controls the geometric complexity of level sets. We first show that the hard tree indicator $1_A$ has infinite $\mathrm{R}\mathrm{TV}$. Moreover, two natural split-wise continuous surrogates--piecewise-linear ramp smoothing and sigmoidal (logistic) smoothing--also have infinite $\mathrm{R}\mathrm{TV}$ in dimensions $d>1$, while Gaussian convolution yields finite $\mathrm{R}\mathrm{TV}$ but with an explicit exponential dependence on $d$. We then separate two goals that are often conflated: classification after thresholding (recovering the decision set) versus score learning (learning a calibrated score close to $1_A$). For classification, we construct a smooth barrier score $S_A$ with finite $\mathrm{R}\mathrm{TV}$ whose fixed threshold $\tau=1$ exactly recovers the box. Under a mild tube-mass condition near $\partial A$, we prove an $L_1(P)$ calibration bound that decays polynomially in a sharpness parameter, along with an explicit $\mathrm{R}\mathrm{TV}$ upper bound in terms of face measures. Experiments on synthetic unions of rectangles illustrate the resulting accuracy--complexity tradeoff and how threshold selection shifts where training lands along it.
Authors: Yujie Feng, Hao Wang, Jian Li, Xu Chu, Zhaolu Kang, Yiran Liu, Yasha Wang, Philip S. Yu, Xiao-Ming Wu
Abstract: Continual learning (CL) for large language models (LLMs) aims to enable sequential knowledge acquisition without catastrophic forgetting. Memory replay methods are widely used for their practicality and effectiveness, but most rely on fixed, step-based heuristics that often misalign with the model's actual learning progress, since identical training steps can result in varying degrees of parameter change. Motivated by recent findings that LLM forgetting mirrors the Ebbinghaus human forgetting curve, we propose FOREVER (FORgEtting curVe-inspired mEmory Replay), a novel CL framework that aligns replay schedules with a model-centric notion of time. FOREVER defines model time using the magnitude of optimizer updates, allowing forgetting curve-inspired replay intervals to align with the model's internal evolution rather than raw training steps. Building on this approach, FOREVER incorporates a forgetting curve-based replay scheduler to determine when to replay and an intensity-aware regularization mechanism to adaptively control how to replay. Extensive experiments on three CL benchmarks and models ranging from 0.6B to 13B parameters demonstrate that FOREVER consistently mitigates catastrophic forgetting.
Authors: Parisa Poorhasani, Bogdan Iancu
Abstract: Despite the fact that cancer survivability rates vary greatly between stages, traditional survival prediction models have frequently been trained and assessed using examples from all combined phases of the disease. This method may result in an overestimation of performance and ignore the stage-specific variations. Using the SEER dataset, we created and verified explainable machine learning (ML) models to predict stage-specific cancer survivability in colorectal, stomach, and liver cancers. ML-based cancer survival analysis has been a long-standing topic in the literature; however, studies involving the explainability and transparency of ML survivability models are limited. Our use of explainability techniques, including SHapley Additive exPlanations (SHAP) and Local Interpretable Model-agnostic Explanations (LIME), enabled us to illustrate significant feature-cancer stage interactions that would have remained hidden in traditional black-box models. We identified how certain demographic and clinical variables influenced survival differently across cancer stages and types. These insights provide not only transparency but also clinical relevance, supporting personalized treatment planning. By focusing on stage-specific models, this study provides new insights into the most important factors at each stage of cancer, offering transparency and potential clinical relevance to support personalized treatment planning.
Authors: Kevin Innerebner, Stephan Bartl, Markus Reiter-Haas, Elisabeth Lex
Abstract: News recommender systems are increasingly driven by black-box models, offering little transparency for editorial decision-making. In this work, we introduce a transparent recommender system that uses fuzzy neural networks to learn human-readable rules from behavioral data for predicting article clicks. By extracting the rules at configurable thresholds, we can control rule complexity and thus, the level of interpretability. We evaluate our approach on two publicly available news datasets (i.e., MIND and EB-NeRD) and show that we can accurately predict click behavior compared to several established baselines, while learning human-readable rules. Furthermore, we show that the learned rules reveal news consumption patterns, enabling editors to align content curation goals with target audience behavior.
Authors: Viktor Martinek, Roland Herzog
Abstract: Symbolic Regression aims to find symbolic expressions that describe datasets. Due to better interpretability, it is a machine learning paradigm particularly powerful for scientific discovery. In recent years, several works have expanded the concept to allow the description of similar phenomena using a single expression with varying sets of parameters, thereby introducing categorical variables. Some previous works allow only "non-shared" (category-value-specific) parameters, and others also incorporate "shared" (category-value-agnostic) parameters. We expand upon those efforts by considering multiple categorical variables, and introducing intermediate levels of parameter sharing. With two categorical variables, an intermediate level of parameter sharing emerges, i.e., parameters which are shared across either category but change across the other. The new approach potentially decreases the number of parameters, while revealing additional information about the problem. Using a synthetic, fitting-only example, we test the limits of this setup in terms of data requirement reduction and transfer learning. As a real-world symbolic regression example, we demonstrate the benefits of the proposed approach on an astrophysics dataset used in a previous study, which considered only one categorical variable. We achieve a similar fit quality but require significantly fewer individual parameters, and extract additional information about the problem.
Authors: Yayati Jadhav, Amir Barati Farimani
Abstract: Designing mechanical linkages to achieve target end-effector trajectories presents a fundamental challenge due to the intricate coupling between continuous node placements, discrete topological configurations, and nonlinear kinematic constraints. The highly nonlinear motion-to-configuration relationship means small perturbations in joint positions drastically alter trajectories, while the combinatorially expanding design space renders conventional optimization and heuristic methods computationally intractable. We introduce an autoregressive diffusion framework that exploits the dyadic nature of linkage assembly by representing mechanisms as sequentially constructed graphs, where nodes correspond to joints and edges to rigid links. Our approach combines a causal transformer with a Denoising Diffusion Probabilistic Model (DDPM), both conditioned on target trajectories encoded via a transformer encoder. The causal transformer autoregressively predicts discrete topology node-by-node, while the DDPM refines each node's spatial coordinates and edge connectivity to previously generated nodes. This sequential generation enables adaptive trial-and-error synthesis where problematic nodes exhibiting kinematic locking or collisions can be selectively regenerated, allowing autonomous correction of degenerate configurations during design. Our graph-based, data-driven methodology surpasses traditional optimization approaches, enabling scalable inverse design that generalizes to mechanisms with arbitrary node counts. We demonstrate successful synthesis of linkage systems containing up to 20 nodes with extensibility to N-node architectures. This work advances autoregressive graph generation methodologies and computational kinematic synthesis, establishing new paradigms for scalable inverse design of complex mechanical systems.
Authors: M. Yin, K. G. Ravindran, C. Hadjipanayi, A. Bannon, A. Rapeaux, C. Della Monica, T. S. Lande, Derk-Jan Dijk, T. G. Constandinou
Abstract: Objective: Ultra-wideband radar technology offers a promising solution for unobtrusive and cost-effective in-home sleep monitoring. However, the limited availability of radar sleep data poses challenges in building robust models that generalize across diverse cohorts and environments. This study proposes a novel deep transfer learning framework to enhance sleep stage classification using radar data. Methods: An end-to-end neural network was developed to classify sleep stages based on nocturnal respiratory and motion signals. The network was trained using a combination of large-scale polysomnography (PSG) datasets and radar data. A domain adaptation approach employing adversarial learning was utilized to bridge the knowledge gap between PSG and radar signals. Validation was performed on a radar dataset of 47 older adults (mean age: 71.2), including 18 participants with prodromal or mild Alzheimer disease. Results: The proposed network structure achieves an accuracy of 79.5% with a Kappa value of 0.65 when classifying wakefulness, rapid eye movement, light sleep and deep sleep. Experimental results confirm that our deep transfer learning approach significantly enhances automatic sleep staging performance in the target domain. Conclusion: This method effectively addresses challenges associated with data variability and limited sample size, substantially improving the reliability of automatic sleep staging models, especially in contexts where radar data is limited. Significance: The findings underscore the viability of UWB radar as a nonintrusive, forward-looking sleep assessment tool that could significantly benefit care for older people and people with neurodegenerative disorders.
Authors: Dominique Martinez
Abstract: We address the problem of classifying trajectory data generated by some nonlinear dynamics, where each class corresponds to a distinct dynamical system. We propose Dynafit, a kernel-based method for learning a distance metric between training trajectories and the underlying dynamics. New observations are assigned to the class with the most similar dynamics according to the learned metric. The learning algorithm approximates the Koopman operator which globally linearizes the dynamics in a (potentially infinite) feature space associated with a kernel function. The distance metric is computed in feature space independently of its dimensionality by using the kernel trick common in machine learning. We also show that the kernel function can be tailored to incorporate partial knowledge of the dynamics when available. Dynafit is applicable to various classification tasks involving nonlinear dynamical systems and sensors. We illustrate its effectiveness on three examples: chaos detection with the logistic map, recognition of handwritten dynamics and of visual dynamic textures.
Authors: Magnus B\"uhler, Lennart Purucker, Frank Hutter
Abstract: Fine-tuning tabular foundation models (TFMs) under data scarcity is challenging, as early stopping on even scarcer validation data often fails to capture true generalization performance. We propose CausalMixFT, a method that enhances fine-tuning robustness and downstream performance by generating structurally consistent synthetic samples using Structural Causal Models (SCMs) fitted on the target dataset. This approach augments limited real data with causally informed synthetic examples, preserving feature dependencies while expanding training diversity. Evaluated across 33 classification datasets from TabArena and over 2300 fine-tuning runs, our CausalMixFT method consistently improves median normalized ROC-AUC from 0.10 (standard fine-tuning) to 0.12, outperforming purely statistical generators such as CTGAN (-0.01), TabEBM (-0.04), and TableAugment (-0.09). Moreover, it narrows the median validation-test performance correlation gap from 0.67 to 0.30, enabling more reliable validation-based early stopping, a key step toward improving fine-tuning stability under data scarcity. These results demonstrate that incorporating causal structure into data augmentation provides an effective and principled route to fine-tuning tabular foundation models in low-data regimes.
Authors: Gabriel Ansah, Eden Ruffell, Delmiro Fernandez-Reyes, Petru Manescu
Abstract: Automated blood morphology analysis can support hematological diagnostics in low- and middle-income countries (LMICs) but remains sensitive to dataset shifts from staining variability, imaging differences, and rare morphologies. Building centralized datasets to capture this diversity is often infeasible due to privacy regulations and data-sharing restrictions. We introduce a federated learning framework for white blood cell morphology analysis that enables collaborative training across institutions without exchanging training data. Using blood films from multiple clinical sites, our federated models learn robust, domain-invariant representations while preserving complete data privacy. Evaluations across convolutional and transformer-based architectures show that federated training achieves strong cross-site performance and improved generalization to unseen institutions compared to centralized training. These findings highlight federated learning as a practical and privacy-preserving approach for developing equitable, scalable, and generalizable medical imaging AI in resource-limited healthcare environments.
Authors: Alberto Marfoglia, Jong Ho Jhee, Adrien Coulet
Abstract: The application of machine learning on healthcare data is often hindered by the lack of standardized and semantically explicit representation, leading to limited interoperability and reproducibility across datasets and experiments. The Medical Event Data Standard (MEDS) addresses these issues by introducing a minimal, event-centric data model designed for reproducible machine-learning workflows from health data. However, MEDS is defined as a data-format specification and does not natively provide integration with the Semantic Web ecosystem. In this article, we introduce MEDS-OWL, a lightweight OWL ontology that provides formal concepts and relations to enable representing MEDS datasets as RDF graphs. Additionally, we implemented meds2rdf, a Python conversion library that transforms MEDS events into RDF graphs, ensuring conformance with the ontology. We demonstrate the approach on a synthetic clinical dataset that describes patient care pathways for ruptured intracranial aneurysms and validate the resulting graph using SHACL constraints. The first release of MEDS-OWL comprises 13 classes, 10 object properties, 20 data properties, and 24 OWL axioms. Combined with meds2rdf, it enables data transformation into FAIR-aligned datasets, provenance-aware publishing, and interoperability of event-based clinical data. By bridging MEDS with the Semantic Web, this work contributes a reusable semantic layer for event-based clinical data and establishes a robust foundation for subsequent graph-based analytics.
Authors: Mohit Raghavendra, Anisha Gunjal, Bing Liu, Yunzhong He
Abstract: Verification is critical for improving agents: it provides the reward signal for Reinforcement Learning and enables inference-time gains through Test-Time Scaling (TTS). Despite its importance, verification in software engineering (SWE) agent settings often relies on code execution, which can be difficult to scale due to environment setup overhead. Scalable alternatives such as patch classifiers and heuristic methods exist, but they are less grounded in codebase context and harder to interpret. To this end, we explore Agentic Rubrics: an expert agent interacts with the repository to create a context-grounded rubric checklist, and candidate patches are then scored against it without requiring test execution. On SWE-Bench Verified under parallel TTS evaluation, Agentic Rubrics achieve a score of 54.2% on Qwen3-Coder-30B-A3B and 40.6% on Qwen3-32B, with at least a +3.5 percentage-point gain over the strongest baseline in our comparison set. We further analyze rubric behavior, showing that rubric scores are consistent with ground-truth tests while also flagging issues that tests do not capture. Our ablations show that agentic context gathering is essential for producing codebase-specific, unambiguous criteria. Together, these results suggest that Agentic Rubrics provide an efficient, scalable, and granular verification signal for SWE agents.
Authors: Pietro de Oliveira Esteves
Abstract: We demonstrate a deep learning framework capable of recovering physical parameters from the Nonlinear Schrodinger Equation (NLSE) under severe noise conditions. By integrating Physics-Informed Neural Networks (PINNs) with automatic differentiation, we achieve reconstruction of the nonlinear coefficient beta with less than 0.2 percent relative error using only 500 sparse, randomly sampled data points corrupted by 20 percent additive Gaussian noise, a regime where traditional finite difference methods typically fail due to noise amplification in numerical derivatives. We validate the method's generalization capabilities across different physical regimes (beta between 0.5 and 2.0) and varying data availability (between 100 and 1000 training points), demonstrating consistent sub-1 percent accuracy. Statistical analysis over multiple independent runs confirms robustness (standard deviation less than 0.15 percent for beta equals 1.0). The complete pipeline executes in approximately 80 minutes on modest cloud GPU resources (NVIDIA Tesla T4), making the approach accessible for widespread adoption. Our results indicate that physics-based regularization acts as an effective filter against high measurement uncertainty, positioning PINNs as a viable alternative to traditional optimization methods for inverse problems in spatiotemporal dynamics where experimental data is scarce and noisy. All code is made publicly available to facilitate reproducibility.
Authors: Nia Touko, Matthew O A Ellis, Cristiano Capone, Alessio Burrello, Elisa Donati, Luca Manneschi
Abstract: Reliable long-term decoding of surface electromyography (EMG) is hindered by signal drift caused by electrode shifts, muscle fatigue, and posture changes. While state-of-the-art models achieve high intra-session accuracy, their performance often degrades sharply. Existing solutions typically demand large datasets or high-compute pipelines that are impractical for energy-efficient wearables. We propose a lightweight framework for Test-Time Adaptation (TTA) using a Temporal Convolutional Network (TCN) backbone. We introduce three deployment-ready strategies: (i) causal adaptive batch normalization for real-time statistical alignment; (ii) a Gaussian Mixture Model (GMM) alignment with experience replay to prevent forgetting; and (iii) meta-learning for rapid, few-shot calibration. Evaluated on the NinaPro DB6 multi-session dataset, our framework significantly bridges the inter-session accuracy gap with minimal overhead. Our results show that experience-replay updates yield superior stability under limited data, while meta-learning achieves competitive performance in one- and two-shot regimes using only a fraction of the data required by current benchmarks. This work establishes a path toward robust, "plug-and-play" myoelectric control for long-term prosthetic use.
Authors: Kai Hu, Abhinav Aggarwal, Mehran Khodabandeh, David Zhang, Eric Hsin, Li Chen, Ankit Jain, Matt Fredrikson, Akash Bharadwaj
Abstract: This paper introduces Jailbreak-Zero, a novel red teaming methodology that shifts the paradigm of Large Language Model (LLM) safety evaluation from a constrained example-based approach to a more expansive and effective policy-based framework. By leveraging an attack LLM to generate a high volume of diverse adversarial prompts and then fine-tuning this attack model with a preference dataset, Jailbreak-Zero achieves Pareto optimality across the crucial objectives of policy coverage, attack strategy diversity, and prompt fidelity to real user inputs. The empirical evidence demonstrates the superiority of this method, showcasing significantly higher attack success rates against both open-source and proprietary models like GPT-40 and Claude 3.5 when compared to existing state-of-the-art techniques. Crucially, Jailbreak-Zero accomplishes this while producing human-readable and effective adversarial prompts with minimal need for human intervention, thereby presenting a more scalable and comprehensive solution for identifying and mitigating the safety vulnerabilities of LLMs.
Authors: Gabriel Benedict, Matthew Butler, Naved Merchant, Eetu Salama-Laine
Abstract: The emergence of Large Language Models (LLMs) has shifted language model evaluation toward reasoning and problem-solving tasks as measures of general intelligence. Small Language Models (SLMs) -- defined here as models under 10B parameters -- typically score 3-4 times lower than LLMs on these metrics. However, we demonstrate that these evaluations fail to capture SLMs' effectiveness in common industrial applications, such as tone modification tasks (e.g., funny, serious, professional). We propose an evaluation framework specifically designed to highlight SLMs' capabilities in non-reasoning tasks where predefined evaluation datasets don't exist. Our framework combines novel approaches in data generation, prompt-tuning, and LLM-based evaluation to demonstrate the potential of task-specific finetuning. This work provides practitioners with tools to effectively benchmark both SLMs and LLMs for practical applications, particularly in edge and private computing scenarios. Our implementation is available at: https://github.com/amazon-science/wraval.
Authors: Naseem Machlovi, Maryam Saleki, Ruhul Amin, Mohamed Rahouti, Shawqi Al-Maliki, Junaid Qadir, Mohamed M. Abdallah, Ala Al-Fuqaha
Abstract: As large language models (LLMs) become deeply embedded in daily life, the urgent need for safer moderation systems, distinguishing between naive from harmful requests while upholding appropriate censorship boundaries, has never been greater. While existing LLMs can detect harmful or unsafe content, they often struggle with nuanced cases such as implicit offensiveness, subtle gender and racial biases, and jailbreak prompts, due to the subjective and context-dependent nature of these issues. Furthermore, their heavy reliance on training data can reinforce societal biases, resulting in inconsistent and ethically problematic outputs. To address these challenges, we introduce GuardEval, a unified multi-perspective benchmark dataset designed for both training and evaluation, containing 106 fine-grained categories spanning human emotions, offensive and hateful language, gender and racial bias, and broader safety concerns. We also present GemmaGuard (GGuard), a QLoRA fine-tuned version of Gemma3-12B trained on GuardEval, to assess content moderation with fine-grained labels. Our evaluation shows that GGuard achieves a macro F1 score of 0.832, substantially outperforming leading moderation models, including OpenAI Moderator (0.64) and Llama Guard (0.61). We show that multi-perspective, human-centered safety benchmarks are critical for reducing biased and inconsistent moderation decisions. GuardEval and GGuard together demonstrate that diverse, representative data materially improve safety, fairness, and robustness on complex, borderline cases.
Authors: Risha Surana, Cameron Saidock, Hugo Chacon
Abstract: MixRx uses Large Language Models (LLMs) to classify drug combination interactions as Additive, Synergistic, or Antagonistic, given a multi-drug patient history. We evaluate the performance of 4 models, GPT-2, Mistral Instruct 2.0, and the fine-tuned counterparts. Our results showed a potential for such an application, with the Mistral Instruct 2.0 Fine-Tuned model providing an average accuracy score on standard and perturbed datasets of 81.5%. This paper aims to further develop an upcoming area of research that evaluates if LLMs can be used for biological prediction tasks.
Authors: NAVER Cloud HyperCLOVA X Team
Abstract: In this report, we present HyperCLOVA X 32B Think, a vision-language model designed with particular emphasis on reasoning within the Korean linguistic and cultural context, as well as agentic ability. HyperCLOVA X 32B Think is pre-trained with a strong focus on reasoning capabilities and subsequently post-trained to support multimodal understanding, enhanced reasoning, agentic behaviors, and alignment with human preferences. Experimental evaluations against comparably sized models demonstrate that our model achieves strong performance on Korean text-to-text and vision-to-text benchmarks, as well as on agent-oriented evaluation tasks. By open-sourcing HyperCLOVA X 32B Think, we aim to support broader adoption and facilitate further research and innovation across both academic and industrial communities.
Authors: Gaspar Roy, Eugeni Belda, Baptiste Hennecart, Yann Chevaleyre, Edi Prifti, Jean-Daniel Zucker
Abstract: Metagenomic disease prediction commonly relies on species abundance tables derived from large, incomplete reference catalogs, constraining resolution and discarding valuable information contained in DNA reads. To overcome these limitations, we introduce MetagenBERT, a Transformer based framework that produces end to end metagenome embeddings directly from raw DNA sequences, without taxonomic or functional annotations. Reads are embedded using foundational genomic language models (DNABERT2 and the microbiome specialized DNABERTMS), then aggregated through a scalable clustering strategy based on FAISS accelerated KMeans. Each metagenome is represented as a cluster abundance vector summarizing the distribution of its embedded reads. We evaluate this approach on five benchmark gut microbiome datasets (Cirrhosis, T2D, Obesity, IBD, CRC). MetagenBERT achieves competitive or superior AUC performance relative to species abundance baselines across most tasks. Concatenating both representations further improves prediction, demonstrating complementarity between taxonomic and embedding derived signals. Clustering remains robust when applied to as little as 10% of reads, highlighting substantial redundancy in metagenomes and enabling major computational gains. We additionally introduce MetagenBERT Glob Mcardis, a cross cohort variant trained on the large, phenotypically diverse MetaCardis cohort and transferred to other datasets, retaining predictive signal including for unseen phenotypes, indicating the feasibility of a foundation model for metagenome representation. Robustness analyses (PERMANOVA, PERMDISP, entropy) show consistent separation of different states across subsamples. Overall, MetagenBERT provides a scalable, annotation free representation of metagenomes pointing toward future phenotype aware generalization across heterogeneous cohorts and sequencing technologies.
Authors: Scott Thornton
Abstract: Large language models remain vulnerable to jailbreak attacks, and single-layer defenses often trade security for usability. We present TRYLOCK, the first defense-in-depth architecture that combines four heterogeneous mechanisms across the inference stack: weight-level safety alignment via DPO, activation-level control via Representation Engineering (RepE) steering, adaptive steering strength selected by a lightweight sidecar classifier, and input canonicalization to neutralize encoding-based bypasses. On Mistral-7B-Instruct evaluated against a 249-prompt attack set spanning five attack families, TRYLOCK achieves 88.0% relative ASR reduction (46.5% to 5.6%), with each layer contributing unique coverage: RepE blocks 36% of attacks that bypass DPO alone, while canonicalization catches 14% of encoding attacks that evade both. We discover a non-monotonic steering phenomenon -- intermediate strength (alpha=1.0) degrades safety below baseline -- and provide mechanistic hypotheses explaining RepE-DPO interference. The adaptive sidecar reduces over-refusal from 60% to 48% while maintaining identical attack defense, demonstrating that security and usability need not be mutually exclusive. We release all components -- trained adapters, steering vectors, sidecar classifier, preference pairs, and complete evaluation methodology -- enabling full reproducibility.
Authors: Jingbin Liu, Xuechun Wang
Abstract: The game of Go has long served as a benchmark for artificial intelligence, demanding sophisticated strategic reasoning and long-term planning. Previous approaches such as AlphaGo and its successors, have predominantly relied on model-based Monte-Carlo Tree Search (MCTS). In this work, we present QZero, a novel model-free reinforcement learning algorithm that forgoes search during training and learns a Nash equilibrium policy through self-play and off-policy experience replay. Built upon entropy-regularized Q-learning, QZero utilizes a single Q-value network to unify policy evaluation and improvement. Starting tabula rasa without human data and trained for 5 months with modest compute resources (7 GPUs), QZero achieved a performance level comparable to that of AlphaGo. This demonstrates, for the first time, the efficiency of using model-free reinforcement learning to master the game of Go, as well as the feasibility of off-policy reinforcement learning in solving large-scale and complex environments.
Authors: Eldad Matmon, Amit Bracha, Noam Rotstein, Ron Kimmel
Abstract: A photorealistic and controllable 3D caricaturization framework for faces is introduced. We start with an intrinsic Gaussian curvature-based surface exaggeration technique, which, when coupled with texture, tends to produce over-smoothed renders. To address this, we resort to 3D Gaussian Splatting (3DGS), which has recently been shown to produce realistic free-viewpoint avatars. Given a multiview sequence, we extract a FLAME mesh, solve a curvature-weighted Poisson equation, and obtain its exaggerated form. However, directly deforming the Gaussians yields poor results, necessitating the synthesis of pseudo-ground-truth caricature images by warping each frame to its exaggerated 2D representation using local affine transformations. We then devise a training scheme that alternates real and synthesized supervision, enabling a single Gaussian collection to represent both natural and exaggerated avatars. This scheme improves fidelity, supports local edits, and allows continuous control over the intensity of the caricature. In order to achieve real-time deformations, an efficient interpolation between the original and exaggerated surfaces is introduced. We further analyze and show that it has a bounded deviation from closed-form solutions. In both quantitative and qualitative evaluations, our results outperform prior work, delivering photorealistic, geometry-controlled caricature avatars.
Authors: Oran Duan, Yinghua Shen, Yingzhu Lv, Luyang Jie, Yaxin Liu, Qiong Wu
Abstract: Advances in generative models and sequence learning have greatly promoted research in dance motion generation, yet current methods still suffer from coarse semantic control and poor coherence in long sequences. In this work, we present Listen to Rhythm, Choose Movements (LRCM), a multimodal-guided diffusion framework supporting both diverse input modalities and autoregressive dance motion generation. We explore a feature decoupling paradigm for dance datasets and generalize it to the Motorica Dance dataset, separating motion capture data, audio rhythm, and professionally annotated global and local text descriptions. Our diffusion architecture integrates an audio-latent Conformer and a text-latent Cross-Conformer, and incorporates a Motion Temporal Mamba Module (MTMM) to enable smooth, long-duration autoregressive synthesis. Experimental results indicate that LRCM delivers strong performance in both functional capability and quantitative metrics, demonstrating notable potential in multimodal input scenarios and extended sequence generation. We will release the full codebase, dataset, and pretrained models publicly upon acceptance.
Authors: Bugra Kilictas, Faruk Alpay
Abstract: The deployment of Large Language Models (LLMs) on edge devices is fundamentally constrained by the "Memory Wall" the bottleneck where data movement latency outstrips arithmetic throughput. Standard inference runtimes often incur significant overhead through high-level abstractions, dynamic dispatch, and unaligned memory access patterns. In this work, we present a novel "Virtual Tensor Core" architecture implemented in software, optimized specifically for ARM64 microarchitectures (Apple Silicon). By bypassing standard library containers in favor of direct memory mapping (mmap) and implementing hand-tuned NEON SIMD kernels, we achieve a form of "Software-Defined Direct Memory Access (DMA)." Our proposed Tensor Virtualization Layout (TVL) guarantees 100% cache line utilization for weight matrices, while our zero-copy loader eliminates initialization latency. Experimental results on a 110M parameter model demonstrate a stable throughput of >60 tokens/second on M2 hardware. While proprietary hardware accelerators (e.g., Apple AMX) can achieve higher peak throughput, our architecture provides a fully open, portable, and deterministic reference implementation for studying the memory bottleneck on general-purpose ARM silicon, meeting the 200ms psycholinguistic latency threshold without opaque dependencies.
Authors: Carles Balsells-Rodas, Toshiko Matsui, Pedro A. M. Mediano, Yixin Wang, Yingzhen Li
Abstract: Identifiability is central to the interpretability of deep latent variable models, ensuring parameterisations are uniquely determined by the data-generating distribution. However, it remains underexplored for deep regime-switching time series. We develop a general theoretical framework for multi-lag Regime-Switching Models (RSMs), encompassing Markov Switching Models (MSMs) and Switching Dynamical Systems (SDSs). For MSMs, we formulate the model as a temporally structured finite mixture and prove identifiability of both the number of regimes and the multi-lag transitions in a nonlinear-Gaussian setting. For SDSs, we establish identifiability of the latent variables up to permutation and scaling via temporal structure, which in turn yields conditions for identifiability of regime-dependent latent causal graphs (up to regime/node permutations). Our results hold in a fully unsupervised setting through architectural and noise assumptions that are directly enforceable via neural network design. We complement the theory with a flexible variational estimator that satisfies the assumptions and validate the results on synthetic benchmarks. Across real-world datasets from neuroscience, finance, and climate, identifiability leads to more trustworthy interpretability analysis, which is crucial for scientific discovery.
Authors: Jarek Duda
Abstract: PCA can be used for rotation invariant features, describing a shape with its $p_{ab}=E[(x_i-E[x_a])(x_b-E[x_b])]$ covariance matrix approximating shape by ellipsoid, allowing for rotation invariants like its traces of powers. However, real shapes are usually much more complicated, hence there is proposed its extension to e.g. $p_{abc}=E[(x_a-E[x_a])(x_b-E[x_b])(x_c-E[x_c])]$ order-3 or higher tensors describing central moments, or polynomial times Gaussian allowing decodable shape descriptors of arbitrarily high accuracy, and their analogous rotation invariants. Its practical applications could be rotation-invariant features to include shape modulo rotation e.g. for molecular shape descriptors, or for up to rotation object recognition in 2D images/3D scans, or shape similarity metric allowing their inexpensive comparison (modulo rotation) without costly optimization over rotations.
Authors: Yang Shi, Yifeng Xie, Minzhe Guo, Liangsi Lu, Mingxuan Huang, Jingchao Wang, Zhihong Zhu, Boyan Xu, Zhiqi Huang
Abstract: Recent advances in Vision-Language Models (VLMs) have improved performance in multi-modal learning, raising the question of whether these models truly understand the content they process. Crucially, can VLMs detect when a reasoning process is wrong and identify its error type? To answer this, we present MMErroR, a multi-modal benchmark of 2,013 samples, each embedding a single coherent reasoning error. These samples span 24 subdomains across six top-level domains, ensuring broad coverage and taxonomic richness. Unlike existing benchmarks that focus on answer correctness, MMErroR targets a process-level, error-centric evaluation that requires models to detect incorrect reasoning and classify the error type within both visual and linguistic contexts. We evaluate 20 advanced VLMs, even the best model (Gemini-3.0-Pro) classifies the error in only 66.47\% of cases, underscoring the challenge of identifying erroneous reasoning. Furthermore, the ability to accurately identify errors offers valuable insights into the capabilities of multi-modal reasoning models. Project Page: https://mmerror-benchmark.github.io
Authors: David S. Berman, Alexander G. Stapleton
Abstract: Natural languages exhibit striking regularities in their statistical structure, including notably the emergence of Zipf's and Heaps' laws. Despite this, it remains broadly unclear how these properties relate to the modern tokenisation schemes used in contemporary transformer models. In this note, we analyse the information content (as measured by the Shannon entropy) of various corpora under the assumption of a Zipfian frequency distribution, and derive a closed-form expression for the slot entropy expectation value. We then empirically investigate how byte--pair encoding (BPE) transforms corpus statistics, showing that recursive applications of BPE drive token frequencies toward a Zipfian power law while inducing a characteristic growth pattern in empirical entropy. Utilizing the ability of transformers to learn context dependent token probability distributions, we train language models on corpora tokenised at varying BPE depths, revealing that the model predictive entropies increasingly agree with Zipf-derived predictions as the BPE depth increases. Attention-based diagnostics further indicate that deeper tokenisation reduces local token dependencies, bringing the empirical distribution closer to the weakly dependent (near IID) regime. Together, these results clarify how BPE acts not only as a compression mechanism but also as a statistical transform that reconstructs key informational properties of natural language.
Authors: Zhibo Hu, Chen Wang, Yanfeng Shu, Hye-young Paik, Liming Zhu
Abstract: Earlier research has shown that metaphors influence human's decision making, which raises the question of whether metaphors also influence large language models (LLMs)' reasoning pathways, considering their training data contain a large number of metaphors. In this work, we investigate the problem in the scope of the emergent misalignment problem where LLMs can generalize patterns learned from misaligned content in one domain to another domain. We discover a strong causal relationship between metaphors in training data and the misalignment degree of LLMs' reasoning contents. With interventions using metaphors in pre-training, fine-tuning and re-alignment phases, models' cross-domain misalignment degrees change significantly. As we delve deeper into the causes behind this phenomenon, we observe that there is a connection between metaphors and the activation of global and local latent features of large reasoning models. By monitoring these latent features, we design a detector that predict misaligned content with high accuracy.
Authors: Michael Petrowski, Milica Ga\v{s}i\'c
Abstract: Understanding how artificial agents model internal mental states is central to advancing Theory of Mind in AI. Evidence points to a unified system for self- and other-awareness. We explore this self-awareness by having reinforcement learning agents infer their own internal states in gridworld environments. Specifically, we introduce an introspective exploration component that is inspired by biological pain as a learning signal by utilizing a hidden Markov model to infer "pain-belief" from online observations. This signal is integrated into a subjective reward function to study how self-awareness affects the agent's learning abilities. Further, we use this computational framework to investigate the difference in performance between normal and chronic pain perception models. Results show that introspective agents in general significantly outperform standard baseline agents and can replicate complex human-like behaviors.
Authors: Hei Shing Cheung, Qicheng Long, Zhiyue Lin
Abstract: We present PIVONet (Physically-Informed Variational ODE Neural Network), a unified framework that integrates Neural Ordinary Differential Equations (Neuro-ODEs) with Continuous Normalizing Flows (CNFs) for stochastic fluid simulation and visualization. First, we demonstrate that a physically informed model, parameterized by CNF parameters {\theta}, can be trained offline to yield an efficient surrogate simulator for a specific fluid system, eliminating the need to simulate the full dynamics explicitly. Second, by introducing a variational model with parameters {\phi} that captures latent stochasticity in observed fluid trajectories, we model the network output as a variational distribution and optimize a pathwise Evidence Lower Bound (ELBO), enabling stochastic ODE integration that captures turbulence and random fluctuations in fluid motion (advection-diffusion behaviors).
Authors: Firas Ben Hmida, Zain Sbeih, Philemon Hailemariam, Birhanu Eshete
Abstract: Machine learning (ML) explainability is central to algorithmic transparency in high-stakes settings such as predictive diagnostics and loan approval. However, these same domains require rigorous privacy guaranties, creating tension between interpretability and privacy. Although prior work has shown that explanation methods can leak membership information, practitioners still lack systematic guidance on selecting or deploying explanation techniques that balance transparency with privacy. We present DeepLeak, a system to audit and mitigate privacy risks in post-hoc explanation methods. DeepLeak advances the state-of-the-art in three ways: (1) comprehensive leakage profiling: we develop a stronger explanation-aware membership inference attack (MIA) to quantify how much representative explanation methods leak membership information under default configurations; (2) lightweight hardening strategies: we introduce practical, model-agnostic mitigations, including sensitivity-calibrated noise, attribution clipping, and masking, that substantially reduce membership leakage while preserving explanation utility; and (3) root-cause analysis: through controlled experiments, we pinpoint algorithmic properties (e.g., attribution sparsity and sensitivity) that drive leakage. Evaluating 15 explanation techniques across four families on image benchmarks, DeepLeak shows that default settings can leak up to 74.9% more membership information than previously reported. Our mitigations cut leakage by up to 95% (minimum 46.5%) with only <=3.3% utility loss on average. DeepLeak offers a systematic, reproducible path to safer explainability in privacy-sensitive ML.
Authors: Zuang Wang, Yongqiang Wang
Abstract: In conventional distributed optimization, each agent performs a single local update between two communication rounds with its neighbors to synchronize solutions. Inspired by the success of using multiple local updates in federated learning, incorporating local updates into distributed optimization has recently attracted increasing attention. However, unlike federated learning, where multiple local updates can accelerate learning by improving gradient estimation under mini-batch settings, it remains unclear whether similar benefits hold in distributed optimization when gradients are exact. Moreover, existing theoretical results typically require reducing the step size when multiple local updates are employed, which can entirely offset any potential benefit of these additional local updates and obscure their true impact on convergence. In this paper, we focus on the classic DIGing algorithm and leverage the tight performance bounds provided by Performance Estimation Problems (PEP) to show that incorporating local updates can indeed accelerate distributed optimization. To the best of our knowledge, this is the first rigorous demonstration of such acceleration for a broad class of objective functions. Our analysis further reveals that, under an appropriate step size, performing only two local updates is sufficient to achieve the maximal possible improvement, and that additional local updates provide no further gains. Because more updates increase computational cost, these findings offer practical guidance for efficient implementation. Extensive experiments on both synthetic and real-world datasets corroborate the theoretical findings.
Authors: Nassim Helou
Abstract: Modern AI systems increasingly operate inside markets and institutions where data, behavior, and incentives are endogenous. This paper develops an economic foundation for multi-agent learning by studying a principal-agent interaction in a Markov decision process with strategic externalities, where both the principal and the agent learn over time. We propose a two-phase incentive mechanism that first estimates implementable transfers and then uses them to steer long-run dynamics; under mild regret-based rationality and exploration conditions, the mechanism achieves sublinear social-welfare regret and thus asymptotically optimal welfare. Simulations illustrate how even coarse incentives can correct inefficient learning under stateful externalities, highlighting the necessity of incentive-aware design for safe and welfare-aligned AI in markets and insurance.
Authors: Ioannis Ivrissimtzis, Shauna Concannon, Matthew Houliston, Graham Roberts
Abstract: We propose the use of a simple intuitive principle for measuring algorithmic classification bias: the significance of the differences in a classifier's error rates across the various demographics is inversely commensurate with the sample size required to statistically detect them. That is, if large sample sizes are required to statistically establish biased behavior, the algorithm is less biased, and vice versa. In a simple setting, we assume two distinct demographics, and non-parametric estimates of the error rates on them, e1 and e2, respectively. We use a well-known approximate formula for the sample size of the chi-squared test, and verify some basic desirable properties of the proposed measure. Next, we compare the proposed measure with two other commonly used statistics, the difference e2-e1 and the ratio e2/e1 of the error rates. We establish that the proposed measure is essentially different in that it can rank algorithms for bias differently, and we discuss some of its advantages over the other two measures. Finally, we briefly discuss how some of the desirable properties of the proposed measure emanate from fundamental characteristics of the method, rather than the approximate sample size formula we used, and thus, are expected to hold in more complex settings with more than two demographics.
Authors: Md. Hefzul Hossain Papon, Shadman Rabby
Abstract: Our results reveal that a well-regularized shallow architecture can serve as a highly competitive baseline across heterogeneous domains - from smart-city surveillance to agricultural variety classification - without requiring large GPUs or specialized pre-trained models. This work establishes a unified, reproducible benchmark for multiple Bangladeshi vision datasets and highlights the practical value of lightweight CNNs for real-world deployment in low-resource settings.
Authors: Joshua Salako
Abstract: Scalability and data sparsity remain critical bottlenecks for collaborative filtering on massive interaction datasets. This work investigates the latent geometry of user preferences using the MovieLens 32M dataset, implementing a high-performance, parallelized Alternating Least Squares (ALS) framework. Through extensive hyperparameter optimization, we demonstrate that constrained low-rank models significantly outperform higher dimensional counterparts in generalization, achieving an optimal balance between Root Mean Square Error (RMSE) and ranking precision. We visualize the learned embedding space to reveal the unsupervised emergence of semantic genre clusters, confirming that the model captures deep structural relationships solely from interaction data. Finally, we validate the system's practical utility in a cold-start scenario, introducing a tunable scoring parameter to manage the trade-off between popularity bias and personalized affinity effectively. The codebase for this research can be found here: https://github.com/joshsalako/recommender.git
Authors: Michael C. Darling, Alan H. Hesu, Michael A. Mardikes, Brian C. McGuigan, Reed M. Milewicz
Abstract: We propose a maturity-based framework for certifying embodied AI systems through explicit measurement mechanisms. We argue that certifiable embodied AI requires structured assessment frameworks, quantitative scoring mechanisms, and methods for navigating multi-objective trade-offs inherent in trustworthiness evaluation. We demonstrate this approach using uncertainty quantification as an exemplar measurement mechanism and illustrate feasibility through an Uncrewed Aircraft System (UAS) detection case study.
Authors: Rishav Sen, Yunuo Zhang, Fangqi Liu, Jose Paolo Talusan, Ava Pettet, Yoshinori Suzue, Ayan Mukhopadhyay, Abhishek Dubey
Abstract: Vehicle-to-building (V2B) systems integrate physical infrastructures, such as smart buildings and electric vehicles (EVs) connected to chargers at the building, with digital control mechanisms to manage energy use. By utilizing EVs as flexible energy reservoirs, buildings can dynamically charge and discharge them to optimize energy use and cut costs under time-variable pricing and demand charge policies. This setup leads to the V2B optimization problem, where buildings coordinate EV charging and discharging to minimize total electricity costs while meeting users' charging requirements. However, the V2B optimization problem is challenging because of: (1) fluctuating electricity pricing, which includes both energy charges ($/kWh) and demand charges ($/kW); (2) long planning horizons (typically over 30 days); (3) heterogeneous chargers with varying charging rates, controllability, and directionality (i.e., unidirectional or bidirectional); and (4) user-specific battery levels at departure to ensure user requirements are met. In contrast to existing approaches that often model this setting as a single-shot combinatorial optimization problem, we highlight critical limitations in prior work and instead model the V2B optimization problem as a Markov decision process (MDP), i.e., a stochastic control process. Solving the resulting MDP is challenging due to the large state and action spaces. To address the challenges of the large state space, we leverage online search, and we counter the action space by using domain-specific heuristics to prune unpromising actions. We validate our approach in collaboration with Nissan Advanced Technology Center - Silicon Valley. Using data from their EV testbed, we show that the proposed framework significantly outperforms state-of-the-art methods.
Authors: Stefan Konigorski, Johannes E. Vedder, Babajide Alamu Owoyele, \.Ibrahim \"Ozkan
Abstract: Large foundation models (LFMs) transform healthcare AI in prevention, diagnostics, and treatment. However, whether LFMs can provide truly personalized treatment recommendations remains an open question. Recent research has revealed multiple challenges for personalization, including the fundamental generalizability paradox: models achieving high accuracy in one clinical study perform at chance level in others, demonstrating that personalization and external validity exist in tension. This exemplifies broader contradictions in AI-driven healthcare: the privacy-performance paradox, scale-specificity paradox, and the automation-empathy paradox. As another challenge, the degree of causal understanding required for personalized recommendations, as opposed to mere predictive capacities of LFMs, remains an open question. N-of-1 trials -- crossover self-experiments and the gold standard for individual causal inference in personalized medicine -- resolve these tensions by providing within-person causal evidence while preserving privacy through local experimentation. Despite their impressive capabilities, this paper argues that LFMs cannot replace N-of-1 trials. We argue that LFMs and N-of-1 trials are complementary: LFMs excel at rapid hypothesis generation from population patterns using multimodal data, while N-of-1 trials excel at causal validation for a given individual. We propose a hybrid framework that combines the strengths of both to enable personalization and navigate the identified paradoxes: LFMs generate ranked intervention candidates with uncertainty estimates, which trigger subsequent N-of-1 trials. Clarifying the boundary between prediction and causation and explicitly addressing the paradoxical tensions are essential for responsible AI integration in personalized medicine.
Authors: Lingzhi Shen, Xiaohao Cai, Yunfei Long, Imran Razzak, Guanming Chen, Shoaib Jameel
Abstract: Cultural awareness in language models is the capacity to understand and adapt to diverse cultural contexts. However, most existing approaches treat culture as static background knowledge, overlooking its dynamic and evolving nature. This limitation reduces their reliability in downstream tasks that demand genuine cultural sensitivity. In this work, we introduce CALM, a novel framework designed to endow language models with cultural self-awareness. CALM disentangles task semantics from explicit cultural concepts and latent cultural signals, shaping them into structured cultural clusters through contrastive learning. These clusters are then aligned via cross-attention to establish fine-grained interactions among related cultural features and are adaptively integrated through a Mixture-of-Experts mechanism along culture-specific dimensions. The resulting unified representation is fused with the model's original knowledge to construct a culturally grounded internal identity state, which is further enhanced through self-prompted reflective learning, enabling continual adaptation and self-correction. Extensive experiments conducted on multiple cross-cultural benchmark datasets demonstrate that CALM consistently outperforms state-of-the-art methods.
Authors: Hossein Hosseini Kasnavieh, Gholamreza Haffari, Chris Leckie, Adel N. Toosi
Abstract: A major challenge for the operation of large language models (LLMs) is how to predict whether a specific LLM will produce sufficiently high-quality output for a given query. Existing approaches rely on external classifiers, most commonly BERT based models, which suffer from limited context windows, constrained representational capacity, and additional computational overhead. We propose IntroLM, a method that enables causal language models to predict their own output quality during the prefilling phase without affecting generation using introspective tokens. By introducing token conditional LoRA that activates only for the introspective token, the model learns to predict the output quality for a given query while preserving the original backbone behavior and avoiding external evaluators. On question answering benchmarks, IntroLM applied to Qwen3 8B achieves a ROC AUC of 90 precent for success prediction, outperforming a DeBERTa classifier by 14 precent. When integrated into multi model routing systems, IntroLM achieves superior cost performance tradeoffs, reducing latency by up to 33 precent and large model usage by up to 50 precent at matched reliability.
Authors: Vladimir Braverman, Sumegha Garg, Chen Wang, David P. Woodruff, Samson Zhou
Abstract: Motivated by recent work on the experts problem in the streaming model, we consider the experts problem in the sliding window model. The sliding window model is a well-studied model that captures applications such as traffic monitoring, epidemic tracking, and automated trading, where recent information is more valuable than older data. Formally, we have $n$ experts, $T$ days, the ability to query the predictions of $q$ experts on each day, a limited amount of memory, and should achieve the (near-)optimal regret $\sqrt{nW}\text{polylog}(nT)$ regret over any window of the last $W$ days. While it is impossible to achieve such regret with $1$ query, we show that with $2$ queries we can achieve such regret and with only $\text{polylog}(nT)$ bits of memory. Not only are our algorithms optimal for sliding windows, but we also show for every interval $\mathcal{I}$ of days that we achieve $\sqrt{n|\mathcal{I}|}\text{polylog}(nT)$ regret with $2$ queries and only $\text{polylog}(nT)$ bits of memory, providing an exponential improvement on the memory of previous interval regret algorithms. Building upon these techniques, we address the bandit problem in data streams, where $q=1$, achieving $n T^{2/3}\text{polylog}(T)$ regret with $\text{polylog}(nT)$ memory, which is the first sublinear regret in the streaming model in the bandit setting with polylogarithmic memory; this can be further improved to the optimal $\mathcal{O}(\sqrt{nT})$ regret if the best expert's losses are in a random order.
Authors: Yilong Dai, Ziyi Wang, Chenguang Wang, Kexin Zhou, Yiheng Qian, Susu Xu, Xiang Yan
Abstract: Bikeability assessment is essential for advancing sustainable urban transportation and creating cyclist-friendly cities, and it requires incorporating users' perceptions of safety and comfort. Yet existing perception-based bikeability assessment approaches face key limitations in capturing the complexity of road environments and adequately accounting for heterogeneity in subjective user perceptions. This paper proposes a persona-aware Vision-Language Model framework for bikeability assessment with three novel contributions: (i) theory-grounded persona conditioning based on established cyclist typology that generates persona-specific explanations via chain-of-thought reasoning; (ii) multi-granularity supervised fine-tuning that combines scarce expert-annotated reasoning with abundant user ratings for joint prediction and explainable assessment; and (iii) AI-enabled data augmentation that creates controlled paired data to isolate infrastructure variable impacts. To test and validate this framework, we developed a panoramic image-based crowdsourcing system and collected 12,400 persona-conditioned assessments from 427 cyclists. Experiment results show that the proposed framework offers competitive bikeability rating prediction while uniquely enabling explainable factor attribution.
Authors: Guanyu Chen, Chenxiao Yu, Xiyang Hu
Abstract: Large language models (LLMs) are increasingly used to simulate decision-making tasks involving personal data sharing, where privacy concerns and prosocial motivations can push choices in opposite directions. Existing evaluations often measure privacy-related attitudes or sharing intentions in isolation, which makes it difficult to determine whether a model's expressed values jointly predict its downstream data-sharing actions as in real human behaviors. We introduce a context-based assessment protocol that sequentially administers standardized questionnaires for privacy attitudes, prosocialness, and acceptance of data sharing within a bounded, history-carrying session. To evaluate value-action alignments under competing attitudes, we use multi-group structural equation modeling (MGSEM) to identify relations from privacy concerns and prosocialness to data sharing. We propose Value-Action Alignment Rate (VAAR), a human-referenced directional agreement metric that aggregates path-level evidence for expected signs. Across multiple LLMs, we observe stable but model-specific Privacy-PSA-AoDS profiles, and substantial heterogeneity in value-action alignment.
Authors: Yanan Bo, Yongqiang Wang
Abstract: Decentralized optimization has become a fundamental tool for large-scale learning systems; however, most existing methods rely on the classical Lipschitz smoothness assumption, which is often violated in problems with rapidly varying gradients. Motivated by this limitation, we study decentralized optimization under the generalized $(L_0, L_1)$-smoothness framework, in which the Hessian norm is allowed to grow linearly with the gradient norm, thereby accommodating rapidly varying gradients beyond classical Lipschitz smoothness. We integrate gradient-tracking techniques with gradient clipping and carefully design the clipping threshold to ensure accurate convergence over directed communication graphs under generalized smoothness. In contrast to existing distributed optimization results under generalized smoothness that require a bounded gradient dissimilarity assumption, our results remain valid even when the gradient dissimilarity is unbounded, making the proposed framework more applicable to realistic heterogeneous data environments. We validate our approach via numerical experiments on standard benchmark datasets, including LIBSVM and CIFAR-10, using regularized logistic regression and convolutional neural networks, demonstrating superior stability and faster convergence over existing methods.
Authors: Ansh Tiwari, Ayush Chauhan
Abstract: We introduce Shielded RecRL, a reinforcement learning approach to generate personalized explanations for recommender systems without sacrificing the system's original ranking performance. Unlike prior RLHF-based recommender methods that directly optimize item rankings, our two-tower architecture keeps the recommender's ranking model intact while a language model learns to produce helpful explanations. We design a composite reward signal combining explanation length, content relevance, and coherence, and apply proximal policy optimization (PPO) with a KL-divergence constraint to fine-tune a large language model with only 0.4% of its parameters trainable via LoRA adapters. In experiments on an Amazon Books dataset (approximately 50K interactions in the fantasy and romance genres), Shielded RecRL improved the relative click-through rate (CTR) by 22.5% (1.225x over baseline) while keeping the recommender's item-ranking behavior virtually unchanged. An extensive ablation study confirms that our gradient shielding strategy and reward design effectively balance explanation quality and policy drift. Our results demonstrate that Shielded RecRL enhances user-facing aspects of recommendations through rich, personalized explanations without degrading core recommendation accuracy.
Authors: Samson Oseiwe Ajadalu
Abstract: Monocular 3D object detection offers a low-cost alternative to LiDAR, yet remains less accurate due to the difficulty of estimating metric depth from a single image. We systematically evaluate how depth backbones and feature engineering affect a monocular Pseudo-LiDAR pipeline on the KITTI validation split. Specifically, we compare NeWCRFs (supervised metric depth) against Depth Anything V2 Metric-Outdoor (Base) under an identical pseudo-LiDAR generation and PointRCNN detection protocol. NeWCRFs yields stronger downstream 3D detection, achieving 10.50\% AP$_{3D}$ at IoU$=0.7$ on the Moderate split using grayscale intensity (Exp~2). We further test point-cloud augmentations using appearance cues (grayscale intensity) and semantic cues (instance segmentation confidence). Contrary to the expectation that semantics would substantially close the gap, these features provide only marginal gains, and mask-based sampling can degrade performance by removing contextual geometry. Finally, we report a depth-accuracy-versus-distance diagnostic using ground-truth 2D boxes (including Ped/Cyc), highlighting that coarse depth correctness does not fully predict strict 3D IoU. Overall, under an off-the-shelf LiDAR detector, depth-backbone choice and geometric fidelity dominate performance, outweighing secondary feature injection.
Authors: Parampreet Singh, Akshay Raina, Sayeedul Islam Sheikh, Vipul Arora
Abstract: Supervised machine learning frameworks rely on extensive labeled datasets for robust performance on real-world tasks. However, there is a lack of large annotated datasets in audio and music domains, as annotating such recordings is resource-intensive, laborious, and often require expert domain knowledge. In this work, we explore the use of label propagation (LP), a graph-based semi-supervised learning technique, for automatically labeling the unlabeled set in an unsupervised manner. By constructing a similarity graph over audio embeddings, we propagate limited label information from a small annotated subset to a larger unlabeled corpus in a transductive, semi-supervised setting. We apply this method to two tasks in Indian Art Music (IAM): Raga identification and Instrument classification. For both these tasks, we integrate multiple public datasets along with additional recordings we acquire from Prasar Bharati Archives to perform LP. Our experiments demonstrate that LP significantly reduces labeling overhead and produces higher-quality annotations compared to conventional baseline methods, including those based on pretrained inductive models. These results highlight the potential of graph-based semi-supervised learning to democratize data annotation and accelerate progress in music information retrieval.
Authors: Dennis Holzmann, Sven Wachsmuth
Abstract: We present a novel approach for egocentric action recognition that leverages 2D point tracks as an additional motion cue. While most existing methods rely on RGB appearance, human pose estimation, or their combination, our work demonstrates that tracking randomly sampled image points across video frames can substantially improve recognition accuracy. Unlike prior approaches, we do not detect hands, objects, or interaction regions. Instead, we employ CoTracker to follow a set of randomly initialized points through each video and use the resulting trajectories, together with the corresponding image frames, as input to a Transformer-based recognition model. Surprisingly, our method achieves notable gains even when only the initial frame and its associated point tracks are provided, without incorporating the full video sequence. Experimental results confirm that integrating 2D point tracks consistently enhances performance compared to the same model trained without motion information, highlighting their potential as a lightweight yet effective representation for egocentric action understanding.
Authors: Kapil Chawla, Youngjoon Hong, Jae Yong Lee, Sanghyun Lee
Abstract: We introduce Discontinuous Galerkin Finite Element Operator Network (DG--FEONet), a data-free operator learning framework that combines the strengths of the discontinuous Galerkin (DG) method with neural networks to solve parametric partial differential equations (PDEs) with discontinuous coefficients and non-smooth solutions. Unlike traditional operator learning models such as DeepONet and Fourier Neural Operator, which require large paired datasets and often struggle near sharp features, our approach minimizes the residual of a DG-based weak formulation using the Symmetric Interior Penalty Galerkin (SIPG) scheme. DG-FEONet predicts element-wise solution coefficients via a neural network, enabling data-free training without the need for precomputed input-output pairs. We provide theoretical justification through convergence analysis and validate the model's performance on a series of one- and two-dimensional PDE problems, demonstrating accurate recovery of discontinuities, strong generalization across parameter space, and reliable convergence rates. Our results highlight the potential of combining local discretization schemes with machine learning to achieve robust, singularity-aware operator approximation in challenging PDE settings.
Authors: Weiqi Liu, Yongliang Miao, Haiyan Zhao, Yanguang Liu, Mengnan Du
Abstract: Neuron-level interpretation in large language models (LLMs) is fundamentally challenged by widespread polysemanticity, where individual neurons respond to multiple distinct semantic concepts. Existing single-pass interpretation methods struggle to faithfully capture such multi-concept behavior. In this work, we propose NeuronScope, a multi-agent framework that reformulates neuron interpretation as an iterative, activation-guided process. NeuronScope explicitly deconstructs neuron activations into atomic semantic components, clusters them into distinct semantic modes, and iteratively refines each explanation using neuron activation feedback. Experiments demonstrate that NeuronScope uncovers hidden polysemanticity and produces explanations with significantly higher activation correlation compared to single-pass baselines.
Authors: Simon Halvdansson, Lucas Ferreira Bernardino, Brage Rugstad Knudsen
Abstract: Decarbonization of isolated or off-grid energy systems through phase-in of large shares of intermittent solar or wind generation requires co-installation of energy storage or continued use of existing fossil dispatchable power sources to balance supply and demand. The effective CO2 emission reduction depends on the relative capacity of the energy storage and renewable sources, the stochasticity of the renewable generation, and the optimal control or dispatch of the isolated energy system. While the operations of the energy storage and dispatchable sources may impact the optimal sizing of the system, it is challenging to account for the effect of finite horizon, optimal control at the stage of system sizing. Here, we present a flexible and computationally efficient sizing framework for energy storage and renewable capacity in isolated energy systems, accounting for uncertainty in the renewable generation and the optimal feedback control. To this end, we implement an imitation learning approach to stochastic neural model predictive control (MPC) which allows us to relate the battery storage and wind peak capacities to the emissions reduction and investment costs while accounting for finite horizon, optimal control. Through this approach, decision makers can evaluate the effective emission reduction and costs of different storage and wind capacities at any price point while accounting for uncertainty in the renewable generation with limited foresight. We evaluate the proposed sizing framework on a case study of an offshore energy system with a gas turbine, a wind farm and a battery energy storage system (BESS). In this case, we find a nonlinear, nontrivial relationship between the investment costs and reduction in gas usage relative to the wind and BESS capacities, emphasizing the complexity and importance of accounting for optimal control in the design of isolated energy systems.
Authors: Xiaoxian Shen, Yuhui Zhang, Sahithi Ankireddy, Xiaohan Wang, Maya Varma, Henry Guo, Curtis Langlotz, Serena Yeung-Levy
Abstract: Understanding how two radiology image sets differ is critical for generating clinical insights and for interpreting medical AI systems. We introduce RadDiff, a multimodal agentic system that performs radiologist-style comparative reasoning to describe clinically meaningful differences between paired radiology studies. RadDiff builds on a proposer-ranker framework from VisDiff, and incorporates four innovations inspired by real diagnostic workflows: (1) medical knowledge injection through domain-adapted vision-language models; (2) multimodal reasoning that integrates images with their clinical reports; (3) iterative hypothesis refinement across multiple reasoning rounds; and (4) targeted visual search that localizes and zooms in on salient regions to capture subtle findings. To evaluate RadDiff, we construct RadDiffBench, a challenging benchmark comprising 57 expert-validated radiology study pairs with ground-truth difference descriptions. On RadDiffBench, RadDiff achieves 47% accuracy, and 50% accuracy when guided by ground-truth reports, significantly outperforming the general-domain VisDiff baseline. We further demonstrate RadDiff's versatility across diverse clinical tasks, including COVID-19 phenotype comparison, racial subgroup analysis, and discovery of survival-related imaging features. Together, RadDiff and RadDiffBench provide the first method-and-benchmark foundation for systematically uncovering meaningful differences in radiological data.
Authors: Loris Schoenegger, Benjamin Roth
Abstract: Training data influence estimation methods quantify the contribution of training documents to a model's output, making them a promising source of information for example-based explanations. As humans cannot interpret thousands of documents, only a small subset of the training data can be presented as an explanation. Although the choice of which documents to include directly affects explanation quality, previous evaluations of such systems have largely ignored any selection strategies. To address this, we propose a novel selection relevance score, a retraining-free metric that quantifies how useful a set of examples is for explaining a model's output. We validate this score through fine-tuning experiments, confirming that it can predict whether a set of examples supports or undermines the model's predictions. Using this metric, we further show that common selection strategies often underperform random selection. Motivated by this finding, we propose a strategy that balances influence and representativeness, enabling better use of selection budgets than naively selecting the highest-ranking examples.
Authors: Mohd Hasnain
Abstract: Predicting the melting temperature (Tm) of multi-component and high-entropy alloys (HEAs) is critical for high-temperature applications but computationally expensive using traditional CALPHAD or DFT methods. In this work, we develop a gradient-boosted decision tree (XGBoost) model to predict Tm for complex alloys based on elemental properties. To ensure physical consistency, we address the issue of data leakage by excluding temperature-dependent thermodynamic descriptors (such as Gibbs free energy of mixing) and instead rely on physically motivated elemental features. The optimized model achieves a coefficient of determination (R2) of 0.948 and a Mean Squared Error (MSE) of 9928 which is about 5% relative error for HEAs on a validation set of approximately 1300 compositions. Crucially, we validate the model using the Valence Electron Concentration (VEC) rule. Without explicit constraints during training, the model successfully captures the known stability transition between BCC and FCC phases at a VEC of approximately 6.87. These results demonstrate that data-driven models, when properly feature-engineered, can capture fundamental metallurgical principles for rapid alloy screening.
Authors: Usha Shrestha, Dmitry Ignatov, Radu Timofte
Abstract: Large language models (LLMs) have achieved notable performance in code synthesis; however, data-aware augmentation remains a limiting factor, handled via heuristic design or brute-force approaches. We introduce a performance-aware, closed-loop solution in the NNGPT ecosystem of projects that enables LLMs to autonomously engineer optimal transformations by internalizing empirical performance cues. We fine-tune LLMs with Low-Rank Adaptation on a novel repository of more than 6,000 empirically evaluated PyTorch augmentation functions, each annotated solely by downstream model accuracy. Training uses pairwise performance ordering (better-worse transformations), enabling alignment through empirical feedback without reinforcement learning, reward models, or symbolic objectives. This reduces the need for exhaustive search, achieving up to 600x times fewer evaluated candidates than brute-force discovery while maintaining competitive peak accuracy and shifting generation from random synthesis to task-aligned design. Ablation studies show that structured Chain-of-Thought prompting introduces syntactic noise and degrades performance, whereas direct prompting ensures stable optimization in performance-critical code tasks. Qualitative and quantitative analyses demonstrate that the model internalizes semantic performance cues rather than memorizing syntax. These results show that LLMs can exhibit task-level reasoning through non-textual feedback loops, bypassing explicit symbolic rewards.
Authors: Jan Tagscherer, Sarah de Boer, Lena Philipp, Fennie van der Graaf, Dr\'e Peeters, Joeran Bosma, Lars Leijten, Bogdan Obreja, Ewoud Smit, Alessa Hering
Abstract: Developing foundation models in medical imaging requires continuous monitoring of downstream performance. Researchers are burdened with tracking numerous experiments, design choices, and their effects on performance, often relying on ad-hoc, manual workflows that are inherently slow and error-prone. We introduce EvalBlocks, a modular, plug-and-play framework for efficient evaluation of foundation models during development. Built on Snakemake, EvalBlocks supports seamless integration of new datasets, foundation models, aggregation methods, and evaluation strategies. All experiments and results are tracked centrally and are reproducible with a single command, while efficient caching and parallel execution enable scalable use on shared compute infrastructure. Demonstrated on five state-of-the-art foundation models and three medical imaging classification tasks, EvalBlocks streamlines model evaluation, enabling researchers to iterate faster and focus on model innovation rather than evaluation logistics. The framework is released as open source software at https://github.com/DIAGNijmegen/eval-blocks.
Authors: Xiang Zhang, Huan Yan, Jinyang Huang, Bin Liu, Yuanhao Feng, Jianchun Liu, Meng Li, Fusang Zhang, Zhi Liu
Abstract: In this paper, we propose GesFi, a novel WiFi-based gesture recognition system that introduces WiFi latent domain mining to redefine domains directly from the data itself. GesFi first processes raw sensing data collected from WiFi receivers using CSI-ratio denoising, Short-Time Fast Fourier Transform, and visualization techniques to generate standardized input representations. It then employs class-wise adversarial learning to suppress gesture semantic and leverages unsupervised clustering to automatically uncover latent domain factors responsible for distributional shifts. These latent domains are then aligned through adversarial learning to support robust cross-domain generalization. Finally, the system is applied to the target environment for robust gesture inference. We deployed GesFi under both single-pair and multi-pair settings using commodity WiFi transceivers, and evaluated it across multiple public datasets and real-world environments. Compared to state-of-the-art baselines, GesFi achieves up to 78% and 50% performance improvements over existing adversarial methods, and consistently outperforms prior generalization approaches across most cross-domain tasks.
Authors: Junyao Zhao
Abstract: In Bayesian single-item auctions, a monotone bidding strategy--one that prescribes a higher bid for a higher value type--can be equivalently represented as a partition of the quantile space into consecutive intervals corresponding to increasing bids. Kumar et al. (2024) prove that agile online gradient descent (OGD), when used to update a monotone bidding strategy through its quantile representation, is strategically robust in repeated first-price auctions: when all bidders employ agile OGD in this way, the auctioneer's average revenue per round is at most the revenue of Myerson's optimal auction, regardless of how she adjusts the reserve price over time. In this work, we show that this strategic robustness guarantee is not unique to agile OGD or to the first-price auction: any no-regret learning algorithm, when fed gradient feedback with respect to the quantile representation, is strategically robust, even if the auction format changes every round, provided the format satisfies allocation monotonicity and voluntary participation. In particular, the multiplicative weights update (MWU) algorithm simultaneously achieves the optimal regret guarantee and the best-known strategic robustness guarantee. At a technical level, our results are established via a simple relation that bridges Myerson's auction theory and standard no-regret learning theory. This showcases the potential of translating standard regret guarantees into strategic robustness guarantees for specific games, without explicitly minimizing any form of swap regret.
Authors: Arun Muthukkumar
Abstract: Monocular depth estimation has applications in many fields, such as autonomous navigation and extended reality, making it an essential computer vision task. However, current methods often produce smooth depth maps that lack the fine geometric detail needed for accurate scene understanding. We propose MDENeRF, an iterative framework that refines monocular depth estimates using depth information from Neural Radiance Fields (NeRFs). MDENeRF consists of three components: (1) an initial monocular estimate for global structure, (2) a NeRF trained on perturbed viewpoints, with per-pixel uncertainty, and (3) Bayesian fusion of the noisy monocular and NeRF depths. We derive NeRF uncertainty from the volume rendering process to iteratively inject high-frequency fine details. Meanwhile, our monocular prior maintains global structure. We demonstrate superior performance on key metrics and experiments using indoor scenes from the SUN RGB-D dataset.
Authors: Benedikt Mayrhofer, Franz Pernkopf, Philipp Aichinger, Martin Hagm\"uller
Abstract: Electro-laryngeal (EL) speech is characterized by constant pitch, limited prosody, and mechanical noise, reducing naturalness and intelligibility. We propose a lightweight adaptation of the state-of-the-art StreamVC framework to this setting by removing pitch and energy modules and combining self-supervised pretraining with supervised fine-tuning on parallel EL and healthy (HE) speech data, guided by perceptual and intelligibility losses. Objective and subjective evaluations across different loss configurations confirm their influence: the best model variant, based on WavLM features and human-feedback predictions (+WavLM+HF), drastically reduces character error rate (CER) of EL inputs, raises naturalness mean opinion score (nMOS) from 1.1 to 3.3, and consistently narrows the gap to HE ground-truth speech in all evaluated metrics. These findings demonstrate the feasibility of adapting lightweight voice conversion architectures to EL voice rehabilitation while also identifying prosody generation and intelligibility improvements as the main remaining bottlenecks.
Authors: Cheng Qian, Emre Can Acikgoz, Bingxuan Li, Xiusi Chen, Yuji Zhang, Bingxiang He, Qinyu Luo, Dilek Hakkani-T\"ur, Gokhan Tur, Yunzhu Li, Heng Ji, Heng Ji
Abstract: Agents built on vision-language models increasingly face tasks that demand anticipating future states rather than relying on short-horizon reasoning. Generative world models offer a promising remedy: agents could use them as external simulators to foresee outcomes before acting. This paper empirically examines whether current agents can leverage such world models as tools to enhance their cognition. Across diverse agentic and visual question answering tasks, we observe that some agents rarely invoke simulation (fewer than 1%), frequently misuse predicted rollouts (approximately 15%), and often exhibit inconsistent or even degraded performance (up to 5%) when simulation is available or enforced. Attribution analysis further indicates that the primary bottleneck lies in the agents' capacity to decide when to simulate, how to interpret predicted outcomes, and how to integrate foresight into downstream reasoning. These findings underscore the need for mechanisms that foster calibrated, strategic interaction with world models, paving the way toward more reliable anticipatory cognition in future agent systems.
Authors: Francesco Conti, Patrizio Frosini, Nicola Quercioli
Abstract: Geometric and Topological Deep Learning are rapidly growing research areas that enhance machine learning through the use of geometric and topological structures. Within this framework, Group Equivariant Non-Expansive Operators (GENEOs) have emerged as a powerful class of operators for encoding symmetries and designing efficient, interpretable neural architectures. Originally introduced in Topological Data Analysis, GENEOs have since found applications in Deep Learning as tools for constructing equivariant models with reduced parameter complexity. GENEOs provide a unifying framework bridging Geometric and Topological Deep Learning and include the operator computing persistence diagrams as a special case. Their theoretical foundations rely on group actions, equivariance, and compactness properties of operator spaces, grounding them in algebra and geometry while enabling both mathematical rigor and practical relevance. While a previous representation theorem characterized linear GENEOs acting on data of the same type, many real-world applications require operators between heterogeneous data spaces. In this work, we address this limitation by introducing a new representation theorem for linear GENEOs acting between different perception pairs, based on generalized T-permutant measures. Under mild assumptions on the data domains and group actions, our result provides a complete characterization of such operators. We also prove the compactness and convexity of the space of linear GENEOs. We further demonstrate the practical impact of this theory by applying the proposed framework to improve the performance of autoencoders, highlighting the relevance of GENEOs in modern machine learning applications.
Authors: Ilann Amiaud-Plachy, Michael Blank, Oliver Bent, Sebastien Boyer
Abstract: Phage display is a powerful laboratory technique used to study the interactions between proteins and other molecules, whether other proteins, peptides, DNA or RNA. The under-utilisation of this data in conjunction with deep learning models for protein design may be attributed to; high experimental noise levels; the complex nature of data pre-processing; and difficulty interpreting these experimental results. In this work, we propose a novel approach utilising a Bayesian Neural Network within a training loop, in order to simulate the phage display experiment and its associated noise. Our goal is to investigate how understanding the experimental noise and model uncertainty can enable the reliable application of such models to reliably interpret phage display experiments. We validate our approach using actual binding affinity measurements instead of relying solely on proxy values derived from 'held-out' phage display rounds.
Authors: Valentine Olanubi (University of Alabama, Department of Mathematics), Phineas Agar (University of Alabama, Department of Mathematics), Brendan Ames (University of Southampton, School of Mathematical Sciences)
Abstract: We consider the densest submatrix problem, which seeks the submatrix of fixed size of a given binary matrix that contains the most nonzero entries. This problem is a natural generalization of fundamental problems in combinatorial optimization, e.g., the densest subgraph, maximum clique, and maximum edge biclique problems, and has wide application the study of complex networks. Much recent research has focused on the development of sufficient conditions for exact solution of the densest submatrix problem via convex relaxation. The vast majority of these sufficient conditions establish identification of the densest submatrix within a graph containing exactly one large dense submatrix hidden by noise. The assumptions of these underlying models are not observed in real-world networks, where the data may correspond to a matrix containing many dense submatrices of varying sizes. We extend and generalize these results to the more realistic setting where the input matrix may contain \emph{many} large dense subgraphs. Specifically, we establish sufficient conditions under which we can expect to solve the densest submatrix problem in polynomial time for random input matrices sampled from a generalization of the stochastic block model. Moreover, we also provide sufficient conditions for perfect recovery under a deterministic adversarial. Numerical experiments involving randomly generated problem instances and real-world collaboration and communication networks are used empirically to verify the theoretical phase-transitions to perfect recovery given by these sufficient conditions.
Authors: Nicolas Lacroix, Mireille Blay-Fornarino, S\'ebastien Mosser, Frederic Precioso
Abstract: Background: Extracting the stages that structure Machine Learning (ML) pipelines from source code is key for gaining a deeper understanding of data science practices. However, the diversity caused by the constant evolution of the ML ecosystem (e.g., algorithms, libraries, datasets) makes this task challenging. Existing approaches either depend on non-scalable, manual labeling, or on ML classifiers that do not properly support the diversity of the domain. These limitations highlight the need for more flexible and reliable solutions. Objective: We evaluate whether Small Language Models (SLMs) can leverage their code understanding and classification abilities to address these limitations, and subsequently how they can advance our understanding of data science practices. Method: We conduct a confirmatory study based on two reference works selected for their relevance regarding current state-of-the-art's limitations. First, we compare several SLMs using Cochran's Q test. The best-performing model is then evaluated against the reference studies using two distinct McNemar's tests. We further analyze how variations in taxonomy definitions affect performance through an additional Cochran's Q test. Finally, a goodness-of-fit analysis is conducted using Pearson's chi-squared tests to compare our insights on data science practices with those from prior studies.
Authors: Ra\"ul P\'erez-Gonzalo, Riccardo Magro, Andreas Espersen, Antonio Agudo
Abstract: Reliable operation of wind turbines requires frequent inspections, as even minor surface damages can degrade aerodynamic performance, reduce energy output, and accelerate blade wear. Central to automating these inspections is the accurate segmentation of turbine blades from visual data. This task is traditionally addressed through dense, pixel-wise deep learning models. However, such methods demand extensive annotated datasets, posing scalability challenges. In this work, we introduce an annotation-efficient segmentation approach that reframes the pixel-level task into a binary region classification problem. Image regions are generated using a fully unsupervised, interpretable Modular Adaptive Region Growing technique, guided by image-specific Adaptive Thresholding and enhanced by a Region Merging process that consolidates fragmented areas into coherent segments. To improve generalization and classification robustness, we introduce RegionMix, an augmentation strategy that synthesizes new training samples by combining distinct regions. Our framework demonstrates state-of-the-art segmentation accuracy and strong cross-site generalization by consistently segmenting turbine blades across distinct windfarms.
Authors: Marvin Illian, Ramin Khalili, Antonio A. de A. Rocha, Lin Wang
Abstract: The widespread deployment of 5G networks, together with the coexistence of 4G/LTE networks, provides mobile devices a diverse set of candidate cells to connect to. However, associating mobile devices to cells to maximize overall network performance, a.k.a. cell (re)selection, remains a key challenge for mobile operators. Today, cell (re)selection parameters are typically configured manually based on operator experience and rarely adapted to dynamic network conditions. In this work, we ask: Can an agent automatically learn and adapt cell (re)selection parameters to consistently improve network performance? We present a reinforcement learning (RL)-based framework called CellPilot that adaptively tunes cell (re)selection parameters by learning spatiotemporal patterns of mobile network dynamics. Our study with real-world data demonstrates that even a lightweight RL agent can outperform conventional heuristic reconfigurations by up to 167%, while generalizing effectively across different network scenarios. These results indicate that data-driven approaches can significantly improve cell (re)selection configurations and enhance mobile network performance.
Authors: Yunhao Fan, Gia-Wei Chern
Abstract: Machine-learning (ML) force fields enable large-scale simulations with near-first-principles accuracy at substantially reduced computational cost. Recent work has extended ML force-field approaches to adiabatic dynamical simulations of condensed-matter lattice models with coupled electronic and structural or magnetic degrees of freedom. However, most existing formulations rely on hand-crafted, symmetry-aware descriptors, whose construction is often system-specific and can hinder generality and transferability across different lattice Hamiltonians. Here we introduce a symmetry-preserving framework based on equivariant neural networks (ENNs) that provides a general, data-driven mapping from local configurations of dynamical variables to the associated on-site forces in a lattice Hamiltonian. In contrast to ENN architectures developed for molecular systems -- where continuous Euclidean symmetries dominate -- our approach aims to embed the discrete point-group and internal symmetries intrinsic to lattice models directly into the neural-network representation of the force field. As a proof of principle, we construct an ENN-based force-field model for the adiabatic dynamics of the Holstein Hamiltonian on a square lattice, a canonical system for electron-lattice physics. The resulting ML-enabled large-scale dynamical simulations faithfully capture mesoscale evolution of the symmetry-breaking phase, illustrating the utility of lattice-equivariant architectures for linking microscopic electronic processes to emergent dynamical behavior in condensed-matter lattice systems.
Authors: Yongcun Song, Shangzhi Zeng, Jin Zhang, Lvgang Zhang
Abstract: Optimal control of obstacle problems arises in a wide range of applications and is computationally challenging due to its nonsmoothness, nonlinearity, and bilevel structure. Classical numerical approaches rely on mesh-based discretization and typically require solving a sequence of costly subproblems. In this work, we propose a single-loop bilevel deep learning method, which is mesh-free, scalable to high-dimensional and complex domains, and avoids repeated solution of discretized subproblems. The method employs constraint-embedding neural networks to approximate the state and control and preserves the bilevel structure. To train the neural networks efficiently, we propose a Single-Loop Stochastic First-Order Bilevel Algorithm (S2-FOBA), which eliminates nested optimization and does not rely on restrictive lower-level uniqueness assumptions. We analyze the convergence behavior of S2-FOBA under mild assumptions. Numerical experiments on benchmark examples, including distributed and obstacle control problems with regular and irregular obstacles on complex domains, demonstrate that the proposed method achieves satisfactory accuracy while reducing computational cost compared to classical numerical methods.
Authors: Nikhil Anand, Shwetha Somasundaram, Anirudh Phukan, Apoorv Saxena, Koyel Mukherjee
Abstract: Large Language Models (LLMs) encode vast amounts of parametric knowledge during pre-training. As world knowledge evolves, effective deployment increasingly depends on their ability to faithfully follow externally retrieved context. When such evidence conflicts with the model's internal knowledge, LLMs often default to memorized facts, producing unfaithful outputs. In this work, we introduce ContextFocus, a lightweight activation steering approach that improves context faithfulness in such knowledge-conflict settings while preserving fluency and efficiency. Unlike prior approaches, our solution requires no model finetuning and incurs minimal inference-time overhead, making it highly efficient. We evaluate ContextFocus on the ConFiQA benchmark, comparing it against strong baselines including ContextDPO, COIECD, and prompting-based methods. Furthermore, we show that our method is complementary to prompting strategies and remains effective on larger models. Extensive experiments show that ContextFocus significantly improves contextual-faithfulness. Our results highlight the effectiveness, robustness, and efficiency of ContextFocus in improving contextual-faithfulness of LLM outputs.
Authors: Rose Yvette Bandolo Essomba, Ernest Fokou\'e
Abstract: Class imbalance significantly degrades classification performance, yet its effects are rarely analyzed from a unified theoretical perspective. We propose a principled framework based on three fundamental scales: the imbalance coefficient $\eta$, the sample--dimension ratio $\kappa$, and the intrinsic separability $\Delta$. Starting from the Gaussian Bayes classifier, we derive closed-form Bayes errors and show how imbalance shifts the discriminant boundary, yielding a deterioration slope that predicts four regimes: Normal, Mild, Extreme, and Catastrophic. Using a balanced high-dimensional genomic dataset, we vary only $\eta$ while keeping $\kappa$ and $\Delta$ fixed. Across parametric and non-parametric models, empirical degradation closely follows theoretical predictions: minority Recall collapses once $\log(\eta)$ exceeds $\Delta\sqrt{\kappa}$, Precision increases asymmetrically, and F1-score and PR-AUC decline in line with the predicted regimes. These results show that the triplet $(\eta,\kappa,\Delta)$ provides a model-agnostic, geometrically grounded explanation of imbalance-induced deterioration.
Authors: Adar Avsian, Christopher Richardson, Anirudh Sundar, Larry Heck
Abstract: Language models have become effective at a wide range of tasks, from math problem solving to open-domain question answering. However, they still make mistakes, and these mistakes are often repeated across related queries. Natural language explanations can help correct these errors, but collecting them at scale may be infeasible, particularly in domains where expert annotators are required. To address this issue, we introduce FLEx ($\textbf{F}$ew-shot $\textbf{L}$anguage $\textbf{Ex}$planations), a method for improving model behavior using a small number of explanatory examples. FLEx selects representative model errors using embedding-based clustering, verifies that the associated explanations correct those errors, and summarizes them into a prompt prefix that is prepended at inference-time. This summary guides the model to avoid similar errors on new inputs, without modifying model weights. We evaluate FLEx on CounterBench, GSM8K, and ReasonIF. We find that FLEx consistently outperforms chain-of-thought (CoT) prompting across all three datasets and reduces up to 83\% of CoT's remaining errors.
Authors: Erik Thiringer, Fredrik K. Gustafsson, Kajsa Ledesma Eriksson, Mattias Rantalainen
Abstract: Pathology foundation models (PFMs) have become central to computational pathology, aiming to offer general encoders for feature extraction from whole-slide images (WSIs). Despite strong benchmark performance, PFM robustness to real-world technical domain shifts, such as variability from whole-slide scanner devices, remains poorly understood. We systematically evaluated the robustness of 14 PFMs to scanner-induced variability, including state-of-the-art models, earlier self-supervised models, and a baseline trained on natural images. Using a multiscanner dataset of 384 breast cancer WSIs scanned on five devices, we isolated scanner effects independently from biological and laboratory confounders. Robustness is assessed via complementary unsupervised embedding analyses and a set of clinicopathological supervised prediction tasks. Our results demonstrate that current PFMs are not invariant to scanner-induced domain shifts. Most models encode pronounced scanner-specific variability in their embedding spaces. While AUC often remains stable, this masks a critical failure mode: scanner variability systematically alters the embedding space and impacts calibration of downstream model predictions, resulting in scanner-dependent bias that can impact reliability in clinical use cases. We further show that robustness is not a simple function of training data scale, model size, or model recency. None of the models provided reliable robustness against scanner-induced variability. While the models trained on the most diverse data, here represented by vision-language models, appear to have an advantage with respect to robustness, they underperformed on downstream supervised tasks. We conclude that development and evaluation of PFMs requires moving beyond accuracy-centric benchmarks toward explicit evaluation and optimisation of embedding stability and calibration under realistic acquisition variability.
Authors: Niclas Kannengie{\ss}er, Niklas Hasebrook, Felix Morsbach, Marc-Andr\'e Z\"oller, J\"org Franke, Marius Lindauer, Frank Hutter, Ali Sunyaev
Abstract: Programmatic hyperparameter optimization (HPO) methods, such as Bayesian optimization and evolutionary algorithms, are highly sample-efficient in identifying optimal hyperparameter configurations for machine learning (ML) models. However, practitioners frequently use less efficient methods, such as grid search, which can lead to under-optimized models. We suspect this behavior is driven by a range of practitioner-specific motives. Practitioner motives, however, still need to be clarified to enhance user-centered development of HPO tools. To uncover practitioner motives to use different HPO methods, we conducted 20 semi-structured interviews and an online survey with 49 ML experts. By presenting main goals (e.g., increase ML model understanding) and contextual factors affecting practitioners' selection of HPO methods (e.g., available computer resources), this study offers a conceptual foundation to better understand why practitioners use different HPO methods, supporting development of more user-centered and context-adaptive HPO tools in automated ML.
Authors: Fang Wu, Siyuan Li, Stan Z. Li
Abstract: Graph neural networks (GNNs) rely mainly on the message-passing paradigm to propagate node features and build interactions, and different graph learning problems require different ranges of node interactions. In this work, we explore the capacity of GNNs to capture node interactions under contexts of different complexities. We discover that GNNs usually fail to capture the most informative kinds of interaction styles for diverse graph learning tasks, and thus name this phenomenon GNNs' representation bottleneck. As a response, we demonstrate that the inductive bias introduced by existing graph construction mechanisms can result in this representation bottleneck, \emph{i.e.}, preventing GNNs from learning interactions of the most appropriate complexity. To address that limitation, we propose a novel graph rewiring approach based on interaction patterns learned by GNNs to dynamically adjust each node's receptive fields. Extensive experiments on both real-world and synthetic datasets prove the effectiveness of our algorithm in alleviating the representation bottleneck and its superiority in enhancing the performance of GNNs over state-of-the-art graph rewiring baselines.
Authors: Fang Wu, Shuting Jin, Siyuan Li, Stan Z. Li
Abstract: Machine learning catalyzes a revolution in chemical and biological science. However, its efficacy heavily depends on the availability of labeled data, and annotating biochemical data is extremely laborious. To surmount this data sparsity challenge, we present an instructive learning algorithm named InstructMol to measure pseudo-labels' reliability and help the target model leverage large-scale unlabeled data. InstructMol does not require transferring knowledge between multiple domains, which avoids the potential gap between the pretraining and fine-tuning stages. We demonstrated the high accuracy of InstructMol on several real-world molecular datasets and out-of-distribution (OOD) benchmarks. Code is available at~ https://github.com/smiles724/InstructMol.
Authors: Miguel Liu-Schiaffini, Clare E. Singer, Nikola Kovachki, Sze Chai Leung, Tapio Schneider, Hyunji Jane Bae, Kamyar Azizzadenesheli, Anima Anandkumar
Abstract: Tipping points are abrupt, drastic, and often irreversible changes in the evolution of non-stationary and chaotic dynamical systems. For instance, increased greenhouse gas concentrations are predicted to lead to drastic decreases in low cloud cover, referred to as a climatological tipping point. In this paper, we learn the evolution of such non-stationary dynamical systems using a novel recurrent neural operator (RNO), which learns mappings between function spaces. After training RNO on only the pre-tipping dynamics, we employ it to detect future tipping points using an uncertainty-based approach. In particular, we propose a conformal prediction framework to forecast tipping points by monitoring deviations from physics constraints (such as conserved quantities and partial differential equations), enabling forecasting of these abrupt changes along with a rigorous measure of uncertainty. We illustrate our proposed methodology on non-stationary ordinary and partial differential equations, such as the Lorenz-63 and Kuramoto-Sivashinsky equations. We also apply our methods to forecast a climate tipping point in stratocumulus cloud cover and airfoil wake and stall transitions using only limited knowledge of the governing equations. For the latter, we show that our proposed method zero-shot generalizes to forecasting multiple future tipping points under varying Reynolds numbers. In our experiments, we demonstrate that even partial or approximate physics constraints can be used to accurately forecast future tipping points.
Authors: Mohamed Hassouna, Clara Holzh\"uter, Pawel Lytaev, Josephine Thomas, Bernhard Sick, Christoph Scholz
Abstract: The increasing share of renewable energy and distributed electricity generation requires the development of deep learning approaches to address the lack of flexibility inherent in traditional power grid methods. In this context, Graph Neural Networks are a promising solution due to their ability to learn from graph-structured data. Combined with Reinforcement Learning, they can be used as control approaches to determine remedial actions. This review analyses how Graph Reinforcement Learning can improve representation learning and decision-making in power grid applications, particularly transmission and distribution grids. We analyze the reviewed approaches in terms of the graph structure, the Graph Neural Network architecture, and the Reinforcement Learning approach. Although Graph Reinforcement Learning has demonstrated adaptability to unpredictable events and noisy data, its current stage is primarily proof-of-concept, and it is not yet deployable to real-world applications. We highlight the open challenges and limitations for real-world applications.
Authors: Mirko Nardi, Lorenzo Valerio, Andrea Passarella
Abstract: Federated Learning (FL) is a pivotal approach in decentralized machine learning, especially when data privacy is crucial and direct data sharing is impractical. While FL is typically associated with supervised learning, its potential in unsupervised scenarios is underexplored. This paper introduces a novel unsupervised federated learning methodology designed to identify the complete set of categories (global K) across multiple clients within label-free, non-uniform data distributions, a process known as Federated Clustering. Our approach, Federated Cluster-Wise Refinement (FedCRef), involves clients that collaboratively train models on clusters with similar data distributions. Initially, clients with diverse local data distributions (local K) train models on their clusters to generate compressed data representations. These local models are then shared across the network, enabling clients to compare them through reconstruction error analysis, leading to the formation of federated groups.In these groups, clients collaboratively train a shared model representing each data distribution, while continuously refining their local clusters to enhance data association accuracy. This iterative process allows our system to identify all potential data distributions across the network and develop robust representation models for each. To validate our approach, we compare it with traditional centralized methods, establishing a performance baseline and showcasing the advantages of our distributed solution. We also conduct experiments on the EMNIST and KMNIST datasets, demonstrating FedCRef's ability to refine and align cluster models with actual data distributions, significantly improving data representation precision in unsupervised federated settings.
Authors: Yuxuan Hou, Hehe Fan, Jianrong Zhang, Yue Zhang, Hua Chen, Min Zhou, Faxin Yu, Roger Zimmermann, Yi Yang
Abstract: The automatic synthesis of analog circuits presents significant challenges. Most existing approaches formulate the problem as a single-objective optimization task, overlooking that design specifications for a given circuit type vary widely across applications. To address this, we introduce specification-conditioned analog circuit generation, a task that directly generates analog circuits based on target specifications. The motivation is to leverage existing well-designed circuits to improve automation in analog circuit design. Specifically, we propose CktGen, a simple yet effective variational autoencoder that maps discretized specifications and circuits into a joint latent space and reconstructs the circuit from that latent vector. Notably, as a single specification may correspond to multiple valid circuits, naively fusing specification information into the generative model does not capture these one-to-many relationships. To address this, we decouple the encoding of circuits and specifications and align their mapped latent space. Then, we employ contrastive training with a filter mask to maximize differences between encoded circuits and specifications. Furthermore, classifier guidance along with latent feature alignment promotes the clustering of circuits sharing the same specification, avoiding model collapse into trivial one-to-one mappings. By canonicalizing the latent space with respect to specifications, we can search for an optimal circuit that meets valid target specifications. We conduct comprehensive experiments on the open circuit benchmark and introduce metrics to evaluate cross-model consistency. Experimental results demonstrate that CktGen achieves substantial improvements over state-of-the-art methods.
Authors: Maximilian Xiling Li, Korbinian Franz Rudolf, Paul Mattes, Nils Blank, Rudolf Lioutikov
Abstract: Prototypical part networks offer interpretable alternatives to black-box deep learning models by learning visual prototypes for classification. This work provides a comprehensive analysis of prototype formulations, comparing point-based and probabilistic approaches in both Euclidean and hyperspherical latent spaces. We introduce HyperPG, a probabilistic prototype representation using Gaussian distributions on hyperspheres. Experiments on CUB-200-2011, Stanford Cars, and Oxford Flowers datasets show that hyperspherical prototypes outperform standard Euclidean formulations. Critically, hyperspherical prototypes maintain competitive performance under simplified training schemes, while Euclidean prototypes require extensive hyperparameter tuning.
Authors: Pranab Sahoo, Ashutosh Tripathi, Sriparna Saha, Samrat Mondal
Abstract: Federated Learning (FL) marks a transformative approach to distributed model training by combining locally optimized models from various clients into a unified global model. While FL preserves data privacy by eliminating centralized storage, it encounters significant challenges such as performance degradation, slower convergence, and reduced robustness of the global model due to the heterogeneity in client data distributions. Among the various forms of data heterogeneity, label skew emerges as a particularly formidable and prevalent issue, especially in domains such as image classification. To address these challenges, we begin with comprehensive experiments to pinpoint the underlying issues in the FL training process. Based on our findings, we then introduce an innovative dual-strategy approach designed to effectively resolve these issues. First, we introduce an adaptive loss function for client-side training, meticulously crafted to preserve previously acquired knowledge while maintaining an optimal equilibrium between local optimization and global model coherence. Secondly, we develop a dynamic aggregation strategy for aggregating client models at the server. This approach adapts to each client's unique learning patterns, effectively addressing the challenges of diverse data across the network. Our comprehensive evaluation, conducted across three diverse real-world datasets, coupled with theoretical convergence guarantees, demonstrates the superior efficacy of our method compared to several established state-of-the-art approaches.
Authors: Yuxiao Hu, Qian Li, Dongxiao Zhang, Jinyue Yan, Yuntian Chen
Abstract: Recently, leveraging pre-trained Large Language Models (LLMs) for time series (TS) tasks has gained increasing attention, which involves activating and enhancing LLMs' capabilities. Many methods aim to activate LLMs' capabilities based on token-level alignment, but overlook LLMs' inherent strength in natural language processing -- \textit{their deep understanding of linguistic logic and structure rather than superficial embedding processing.} We propose Context-Alignment (CA), a new paradigm that aligns TS with a linguistic component in the language environments familiar to LLMs to enable LLMs to contextualize and comprehend TS data, thereby activating their capabilities. Specifically, such context-level alignment comprises structural alignment and logical alignment, which is achieved by Dual-Scale Context-Alignment GNNs (DSCA-GNNs) applied to TS-language multimodal inputs. Structural alignment utilizes dual-scale nodes to describe hierarchical structure in TS-language, enabling LLMs to treat long TS data as a whole linguistic component while preserving intrinsic token features. Logical alignment uses directed edges to guide logical relationships, ensuring coherence in the contextual semantics. Following the DSCA-GNNs framework, we propose an instantiation method of CA, termed Few-Shot prompting Context-Alignment (FSCA), to enhance the capabilities of pre-trained LLMs in handling TS tasks. FSCA can be flexibly and repeatedly integrated into various layers of pre-trained LLMs to improve awareness of logic and structure, thereby enhancing performance. Extensive experiments show the effectiveness of FSCA and the importance of Context-Alignment across tasks, particularly in few-shot and zero-shot forecasting, confirming that Context-Alignment provides powerful prior knowledge on context. The code is open-sourced at https://github.com/tokaka22/ICLR25-FSCA.
Authors: Michael Arbel, David Salinas, Frank Hutter
Abstract: Recent foundational models for tabular data, such as TabPFN, excel at adapting to new tasks via in-context learning, but remain constrained to a fixed, pre-defined number of target dimensions-often necessitating costly ensembling strategies. We trace this constraint to a deeper architectural shortcoming: these models lack target equivariance, so that permuting target dimension orderings alters their predictions. This deficiency gives rise to an irreducible "equivariance gap", an error term that introduces instability in predictions. We eliminate this gap by designing a fully target-equivariant architecture-ensuring permutation invariance via equivariant encoders, decoders, and a bi-attention mechanism. Empirical evaluation on standard classification benchmarks shows that, on datasets with more classes than those seen during pre-training, our model matches or surpasses existing methods while incurring lower computational overhead.
Authors: Juntong Ni, Zewen Liu, Shiyu Wang, Ming Jin, Wei Jin
Abstract: Transformer-based and CNN-based methods demonstrate strong performance in long-term time series forecasting. However, their high computational and storage requirements can hinder large-scale deployment. To address this limitation, we propose integrating lightweight MLP with advanced architectures using knowledge distillation (KD). Our preliminary study reveals different models can capture complementary patterns, particularly multi-scale and multi-period patterns in the temporal and frequency domains. Based on this observation, we introduce TimeDistill, a cross-architecture KD framework that transfers these patterns from teacher models (e.g., Transformers, CNNs) to MLP. Additionally, we provide a theoretical analysis, demonstrating that our KD approach can be interpreted as a specialized form of mixup data augmentation. TimeDistill improves MLP performance by up to 18.6%, surpassing teacher models on eight datasets. It also achieves up to 7X faster inference and requires 130X fewer parameters. Furthermore, we conduct extensive evaluations to highlight the versatility and effectiveness of TimeDistill.
Authors: Elham Afzali, Saman Muthukumarana, Liqun Wang
Abstract: Generalized Bayesian Inference (GBI) provides a flexible framework for updating prior distributions using various loss functions instead of the traditional likelihoods, thereby enhancing the model robustness to model misspecification. However, GBI often suffers the problem associated with intractable likelihoods. Kernelized Stein Discrepancy (KSD), as utilized in a recent study, addresses this challenge by relying only on the gradient of the log-likelihood. Despite this innovation, KSD-Bayes suffers from critical pathologies, including insensitivity to well-separated modes in multimodal posteriors. To address this limitation, we propose a weighted KSD method that retains computational efficiency while effectively capturing multimodal structures. Our method improves the GBI framework for handling intractable multimodal posteriors while maintaining key theoretical properties such as posterior consistency and asymptotic normality. Experimental results demonstrate that our method substantially improves mode sensitivity compared to standard KSD-Bayes, while retaining robust performance in unimodal settings and in the presence of outliers.
Authors: Nick Winovich, Mitchell Daneker, Lu Lu, Guang Lin
Abstract: With the increased prevalence of neural operators being used to provide rapid solutions to partial differential equations (PDEs), understanding the accuracy of model predictions and the associated error levels is necessary for deploying reliable surrogate models in scientific applications. Existing uncertainty quantification (UQ) frameworks employ ensembles or Bayesian methods, which can incur substantial computational costs during both training and inference. We propose a lightweight predictive UQ method tailored for Deep operator networks (DeepONets) that also generalizes to other operator networks. Numerical experiments on linear and nonlinear PDEs demonstrate that the framework's uncertainty estimates are unbiased and provide accurate out-of-distribution uncertainty predictions with a sufficiently large training dataset. Our framework provides fast inference and uncertainty estimates that can efficiently drive outer-loop analyses that would be prohibitively expensive with conventional solvers. We demonstrate how predictive uncertainties can be used in the context of Bayesian optimization and active learning problems to yield improvements in accuracy and data-efficiency for outer-loop optimization procedures. In the active learning setup, we extend the framework to Fourier Neural Operators (FNO) and describe a generalized method for other operator networks. To enable real-time deployment, we introduce an inference strategy based on precomputed trunk outputs and a sparse placement matrix, reducing evaluation time by more than a factor of five. Our method provides a practical route to uncertainty-aware operator learning in time-sensitive settings.
Authors: Yixing Li, Ruobing Xie, Zhen Yang, Xingwu Sun, Shuaipeng Li, Weidong Han, Zhanhui Kang, Yu Cheng, Chengzhong Xu, Di Wang, Jie Jiang
Abstract: Transformers are the cornerstone of modern large language models, but their quadratic computational complexity limits efficiency in long-sequence processing. Recent advancements in Mamba, a state space model (SSM) with linear complexity, offer promising efficiency gains but suffer from unstable contextual learning and multitask generalization. Some works conduct layer-level hybrid structures that combine Transformer and Mamba layers, aiming to make full use of both advantages. This paper proposes TransMamba, a novel sequence-level hybrid framework that unifies Transformer and Mamba through shared parameter matrices (QKV and CBx), and thus could dynamically switch between attention and SSM mechanisms at different token lengths and layers. We design the Memory Converter to bridge Transformer and Mamba by converting attention outputs into SSM-compatible states, ensuring seamless information flow at TransPoints where the transformation happens. The TransPoint scheduling is also thoroughly explored for balancing effectiveness and efficiency. We conducted extensive experiments demonstrating that TransMamba achieves superior training efficiency and performance compared to single and hybrid baselines, and validated the deeper consistency between Transformer and Mamba paradigms at sequence level, offering a scalable solution for next-generation language modeling. Code and data are available at https://github.com/Yixing-Li/TransMamba
Authors: Anandatheertha Bapu, Thomas Chen, Chun-Kai Kevin Chien, Patricia Mu\~noz Ewald, Andrew G. Moore
Abstract: We prove that overparametrized neural networks are able to generalize with a test error that is independent of the level of overparametrization, and independent of the Vapnik-Chervonenkis (VC) dimension. We prove explicit bounds that only depend on the metric geometry of the test and training sets, on the regularity properties of the activation function, and on the operator norms of the weights and norms of biases. For overparametrized deep ReLU networks with a training sample size bounded by the input space dimension, we explicitly construct zero loss minimizers without use of gradient descent, and prove a uniform generalization bound that is independent of the network architecture. We perform computational experiments of our theoretical results with MNIST, and obtain agreement with the true test error within a 22 % margin on average.
Authors: Ce Ju, Reinmar Kobler, Antoine Collas, Motoaki Kawanabe, Cuntai Guan, Bertrand Thirion
Abstract: Neuroimaging provides essential tools for characterizing brain activity by quantifying connectivity strength between remote regions, using different modalities that capture different aspects of connectivity. Yet, decoding meaningful neural signatures must contend with modality-specific challenges, including measurement noise, spatial and temporal distortions, heterogeneous acquisition protocols, and limited sample sizes. A unifying perspective emerges when these data are expressed through symmetric positive definite (SPD)-valued representations: across neuroimaging modalities, SPD-valued representations naturally give rise to SPD matrices that capture dependencies between sensors or brain regions. Endowing the SPD space with Riemannian metrics equips it with a non-Euclidean geometric structure, enabling principled statistical modeling and machine learning on the resulting manifold. This review consolidates machine learning methodologies that operate on the SPD manifold under a unified framework termed SPD matrix learning. SPD matrix learning brings conceptual clarity across multiple modalities, establishes continuity with decades of geometric statistics in neuroimaging, and positions SPD modeling as a methodological bridge between classical analysis and emerging AI-driven paradigms. We show that (i) modeling on the SPD manifold is mathematically natural and numerically stable, preserving symmetry and positive definiteness while avoiding degeneracies inherent to Euclidean embeddings; (ii) SPD matrix learning extends a broad family of established geometric statistical tools used across neuroimaging; and (iii) SPD matrix learning integrates new-generation AI technologies, driving a new class of neuroimaging problems that were previously out of reach. Taken together, SPD matrix learning offers a principled and forward-looking framework for next-generation neuroimaging analytics.
Authors: Jiin Kim, Byeongjun Shin, Jinha Chung, Minsoo Rhu
Abstract: Large-language-model (LLM)-based AI agents have recently showcased impressive versatility by employing dynamic reasoning, an adaptive, multi-step process that coordinates with external tools. This shift from static, single-turn inference to agentic, multi-turn workflows broadens task generalization and behavioral flexibility, but it also introduces serious concerns about system-level cost, efficiency, and sustainability. This paper presents the first comprehensive system-level analysis of AI agents, quantifying their resource usage, latency behavior, energy consumption, and datacenter-wide power consumption demands across diverse agent designs and test-time scaling strategies. We further characterize how AI agent design choices, such as few-shot prompting, reflection depth, and parallel reasoning, impact accuracy-cost tradeoffs. Our findings reveal that while agents improve accuracy with increased compute, they suffer from rapidly diminishing returns, widening latency variance, and unsustainable infrastructure costs. Through detailed evaluation of representative agents, we highlight the profound computational demands introduced by AI agent workflows, uncovering a looming sustainability crisis. These results call for a paradigm shift in agent design toward compute-efficient reasoning, balancing performance with deployability under real-world constraints.
Authors: Kefan Song, Amir Moeini, Peng Wang, Lei Gong, Rohan Chandra, Shangtong Zhang, Yanjun Qi
Abstract: Reinforcement learning (RL) is a framework for solving sequential decision-making problems. In this work, we demonstrate that, surprisingly, RL emerges during the inference time of large language models (LLMs), a phenomenon we term in-context RL (ICRL). To reveal this capability, we introduce a simple multi-round prompting framework, we call ICRL prompting, for inference-time self-improvement. The goal of ICRL prompting is to guide LLMs to perform reinforcement learning during inference for self-improvement on a given task. After each response, the model receives numerical scalar feedback, denoted as a reward. In the next round, we prompt the LLM again together with a context that concatenates all prior responses and their associated rewards. We consistently observe that response quality improves as the context grows. In other words, the LLM can optimize scalar reward signals during inference, exhibiting behavior analogous to reinforcement learning. We evaluate ICRL prompting on Game of 24, creative writing, ScienceWorld, and Olympiad-level math competitions (AIME and HMMT), demonstrating significant improvements over baselines such as Self-Refine and Reflexion. Notably, even when the reward signals are generated by the same LLM, ICRL prompting still improves performance, highlighting a promising new paradigm for test-time scaling.
Authors: Shuo Yang, Qihui Zhang, Yuyang Liu, Xiaojun Jia, Kunpeng Ning, Jiayu Yao, Jigang Wang, Hailiang Dai, Yibing Song, Li Yuan
Abstract: Fine-tuning large language models (LLMs) improves performance but introduces critical safety vulnerabilities: even minimal harmful data can severely compromise safety measures. We observe that perturbations orthogonal to the alignment direction - defined by weight differences between aligned (safe) and unaligned models - rapidly compromise model safety. In contrast, updates along the alignment direction largely preserve it, revealing the parameter space as a "narrow safety basin". To address this, we propose AsFT (Anchoring Safety in Fine-Tuning) to maintain safety by explicitly constraining update directions during fine-tuning. By penalizing updates orthogonal to the alignment direction, AsFT effectively constrains the model within the "narrow safety basin," thus preserving its inherent safety. Extensive experiments on multiple datasets and models show that AsFT reduces harmful behaviors by up to 7.60%, improves task performance by 3.44%, and consistently outperforms existing methods across multiple tasks.
Authors: Khadija Zanna, Akane Sano
Abstract: Ensuring fairness in machine learning requires understanding how sensitive attributes like race or gender causally influence outcomes. Existing causal discovery (CD) methods often struggle to recover fairness-relevant pathways in the presence of noise, confounding, or data corruption. Large language models (LLMs) offer a complementary signal by leveraging semantic priors from variable metadata. We propose a hybrid LLM-guided CD framework that extends a breadth-first search strategy with active learning and dynamic scoring. Variable pairs are prioritized for querying using a composite score combining mutual information, partial correlation, and LLM confidence, enabling more efficient and robust structure discovery. To evaluate fairness sensitivity, we introduce a semi-synthetic benchmark based on the UCI Adult dataset, embedding domain-informed bias pathways alongside noise and latent confounders. We assess how well CD methods recover both global graph structure and fairness-critical paths (e.g., sex-->education-->income). Our results demonstrate that LLM-guided methods, including our active, dynamically scored variant, outperform baselines in recovering fairness-relevant structure under noisy conditions. We analyze when LLM-driven insights complement statistical dependencies and discuss implications for fairness auditing in high-stakes domains.
Authors: Dyuman Aditya (Syracuse University, Syracuse, NY USA), Colton Payne (Arizona State University, Tempe, AZ USA), Mario Leiva (Universidad Nacional del Sur, BA, Argentina), Paulo Shakarian (Syracuse University, Syracuse, NY USA)
Abstract: Recent advances in Machine Learning (ML) have produced models that extract structured information from complex data. However, a significant challenge lies in translating these perceptual or extractive outputs into actionable and explainable decisions within complex operational workflows. To address these challenges, this paper introduces a novel approach that integrates the outputs of various machine learning models directly with the PyReason framework, an open-world temporal logic programming reasoning engine. PyReason's foundation in generalized annotated logic allows for the incorporation of real-valued outputs (e.g., probabilities, confidence scores) from a diverse set of ML models, treating them as truth intervals within its logical framework. Crucially, PyReason provides mechanisms, implemented in Python, to continuously poll ML model outputs, convert them into logical facts, and dynamically recompute the minimal model to enable decision-making in real-time. Furthermore, its native support for temporal reasoning, knowledge graph integration, and fully explainable interface traces enables an analysis of time-sensitive process data and existing organizational knowledge. By combining the strengths of perception and extraction from ML models with the logical deduction and transparency of PyReason, we aim to create a powerful system for automating complex processes. This integration is well suited for use cases in numerous domains, including manufacturing, healthcare, and business operations.
Authors: Lydia T. Liu, Inioluwa Deborah Raji, Angela Zhou, Luke Guerdan, Jessica Hullman, Daniel Malinsky, Bryan Wilder, Simone Zhang, Hammaad Adam, Amanda Coston, Ben Laufer, Ezinne Nwankwo, Michael Zanger-Tishler, Eli Ben-Michael, Solon Barocas, Avi Feller, Marissa Gerchick, Talia Gillis, Shion Guha, Daniel Ho, Lily Hu, Kosuke Imai, Sayash Kapoor, Joshua Loftus, Razieh Nabi, Arvind Narayanan, Ben Recht, Juan Carlos Perdomo, Matthew Salganik, Mark Sendak, Alexander Tolbert, Berk Ustun, Suresh Venkatasubramanian, Angelina Wang, Ashia Wilson
Abstract: Many automated decision systems (ADS) are designed to solve prediction problems -- where the goal is to learn patterns from a sample of the population and apply them to individuals from the same population. In reality, these prediction systems operationalize holistic policy interventions in deployment. Once deployed, ADS can shape impacted population outcomes through an effective policy change in how decision-makers operate, while also being defined by past and present interactions between stakeholders and the limitations of existing organizational, as well as societal, infrastructure and context. In this work, we consider the ways in which we must shift from a prediction-focused paradigm to an intervention-oriented paradigm when considering the impact of ADS within social systems. We argue this requires a new default problem setup for ADS beyond prediction, to instead consider predictions as decision support, final decisions, and outcomes. We highlight how this perspective unifies modern statistical frameworks and other tools to study the design, implementation, and evaluation of ADS systems, and point to the research directions necessary to operationalize this paradigm shift. Using these tools, we characterize the limitations of focusing on isolated prediction tasks, and lay the foundation for a more intervention-oriented approach to developing and deploying ADS.
Authors: Sol Yarkoni, Mahmood Sharif, Roi Livni
Abstract: Recent advances in generative models, such as diffusion models, have raised concerns related to privacy, copyright infringement, and data stewardship. To better understand and control these risks, prior work has introduced techniques and attacks that reconstruct images, or parts of images, from training data. While these results demonstrate that training data can be recovered, existing methods often rely on high computational resources, partial access to the training set, or carefully engineered prompts. In this work, we present a new attack that requires low resources, assumes little to no access to the training data, and identifies seemingly benign prompts that can lead to potentially risky image reconstruction. We further show that such reconstructions may occur unintentionally, even for users without specialized knowledge. For example, we observe that for one existing model, the prompt ``blue Unisex T-Shirt'' generates the face of a real individual. Moreover, by combining the identified vulnerabilities with real-world prompt data, we discover prompts that reproduce memorized visual elements. Our approach builds on insights from prior work and leverages domain knowledge to expose a fundamental vulnerability arising from the use of scraped e-commerce data, where templated layouts and images are closely tied to pattern-like textual prompts. The code for our attack is publicly available at https://github.com/TheSolY/lr-tmi.
Authors: Fang Wu, Weihao Xuan, Ximing Lu, Mingjie Liu, Yi Dong, Zaid Harchaoui, Yejin Choi
Abstract: Recent advances in LLMs highlight Reinforcement Learning with Verifiable Rewards (RLVR) as a promising method for enhancing AI capabilities, particularly in solving complex logical tasks. However, it remains unclear whether the current practice of RLVR truly expands a model's reasoning boundary or mainly amplifies high-reward outputs that the base model already knows, leading to improved precision. This study presents an empirical investigation that provides new insights into the potential limits of the common RLVR recipe. We examine how, under current training conditions, RLVR can operate as a support-constrained optimization mechanism that may restrict the discovery of entirely novel solutions, remaining constrained by the base model's initial distribution. We also identify an entropy-reward trade-off: while the current RLVR recipe reliably enhances precision, it may progressively narrow exploration and potentially overlook correct yet underrepresented solutions. Extensive empirical experiments show that although the current RLVR recipe consistently improves pass@1, the shrinkage of empirical support generally outweighs the expansion of empirical support under larger sampling budgets, failing to recover correct answers that were previously accessible to the base model. Interestingly, we also observe that while RLVR sometimes increases token-level entropy, it leads to greater uncertainty at each generation step but declining answer-level entropy. This suggests that these seemingly more uncertain generation paths ultimately converge onto a smaller set of distinct answers. Taken together, our findings reveal potential limits of the current RLVR recipe in extending reasoning horizons. Breaking this invisible leash may require future algorithmic innovations, such as explicit exploration mechanisms or hybrid strategies that allocate probability mass to underrepresented solution regions.
Authors: Hamza A. Abushahla, Dara Varam, Ariel Justine N. Panopio, Mohamed I. AlHajri
Abstract: The deployment of Quantized Neural Networks (QNNs) on resource-constrained edge devices, such as microcontrollers (MCUs), introduces fundamental challenges in balancing model performance, computational complexity, and memory constraints. Tiny Machine Learning (TinyML) addresses these issues by jointly advancing machine learning algorithms, hardware architectures, and software optimization techniques to enable deep neural network inference on embedded systems. This survey provides a hardware-oriented perspective on neural network quantization, systematically reviewing the quantization methods most relevant to MCUs and extreme-edge devices. Particular emphasis is placed on the critical trade-offs between model performance and the capabilities of MCU-class hardware, including memory hierarchies, numerical representations, and accelerator support. The survey further reviews contemporary MCU hardware platforms, including ARM-based and RISC-V-based designs, as well as MCUs integrating neural processing units (NPUs) for low-precision inference, together with the supporting software stacks. In addition, we analyze real-world deployments of quantized models on MCUs and consolidate the application domains in which such systems are used. Finally, we discuss open challenges and outline promising future directions toward scalable, energy-efficient, and sustainable AI deployment on edge devices.
Authors: Guillaume Guy, Mihajlo Grbovic, Chun How Tan, Han Zhao
Abstract: Airbnb is a leader in offering travel accommodations. Airbnb has historically relied on structured data to understand, rank, and recommend listings to guests due to the limited capabilities and associated complexity arising from extracting meaningful information from text and images. With the rise of representation learning, leveraging rich information from text and photos has become easier. A popular approach has been to create embeddings for text documents and images to enable use cases of computing similarities between listings or using embeddings as features in an ML model. However, an Airbnb listing has diverse unstructured data: multiple images, various unstructured text documents such as title, description, and reviews, making this approach challenging. Specifically, it is a non-trivial task to combine multiple embeddings of different pieces of information to reach a single representation. This paper proposes BiListing, for Bimodal Listing, an approach to align text and photos of a listing by leveraging large-language models and pretrained language-image models. The BiListing approach has several favorable characteristics: capturing unstructured data into a single embedding vector per listing and modality, enabling zero-shot capability to search inventory efficiently in user-friendly semantics, overcoming the cold start problem, and enabling listing-to-listing search along a single modality, or both. We conducted offline and online tests to leverage the BiListing embeddings in the Airbnb search ranking model, and successfully deployed it in production, achieved 0.425% of NDCB gain, and drove tens of millions in incremental revenue.
Authors: Shihao Ji, Zihui Song
Abstract: Continual or Lifelong Learning aims to develop models capable of acquiring new knowledge from a sequence of tasks without catastrophically forgetting what has been learned before. Existing approaches often rely on storing samples from previous tasks (experience replay) or employing complex regularization terms to protect learned weights. However, these methods face challenges related to data privacy, storage limitations, and performance degradation when tasks are dissimilar. To address these challenges, we introduce MyGO (Memory Yielding Generative Offline-consolidation), a novel lifelong learning framework inspired by the biological wake-sleep cycle. During the "wake" phase, the system rapidly learns a new task and trains a compact generative model (Generative Memory, G-mem) to capture its data distribution. During the "sleep" phase, the system enters an offline state, using all learned G-mem models to generate pseudo-data ("dreams") and consolidate new and old knowledge into a core feature extractor via knowledge distillation. This approach obviates the need to store any raw data, retaining only compact generative models, which offers significant advantages in privacy and storage efficiency. We evaluate MyGO on computer vision (Split-MNIST) and natural language processing (Split-AG News) benchmarks, comparing it against a sequential fine-tuning baseline. The results demonstrate that MyGO significantly mitigates catastrophic forgetting and maintains high average accuracy across tasks, proving the framework's effectiveness and domain-generality.
Authors: Luca Zhou, Pratham Yashwante, Marshall Fisher, Alessio Sampieri, Zihao Zhou, Fabio Galasso, Rose Yu
Abstract: Time series captioning, the task of describing time series in natural language, requires numeric and temporal reasoning, trend interpretation, and contextual understanding. Existing benchmarks, however, often rely on fully synthetic or generic captions, and typically neglect metadata and visual representations. We introduce \textbf{CaTS-Bench}, a comprehensive benchmark for \textbf{C}ontext-\textbf{a}ware \textbf{T}ime \textbf{S}eries reasoning across $11$ diverse domains, centered on a gold-standard evaluation set of $1746$ human-rewritten captions that measure how effectively models translate numeric trends into immediately interpretable narratives. To address the scarcity of human-annotated data, we also propose a scalable pipeline for generating high-fidelity synthetic captions, the quality of which we validate. We evaluate leading Vision-Language Models on our benchmark, revealing that even proprietary models struggle to capture numeric nuances in temporal descriptions, while finetuning open-source models on synthetic data yields substantial performance gains. Finally, we release a diagnostic suite of $910$ multiple-choice questions and tailored numeric metrics to gauge time-series-specific reasoning capabilities, establishing CaTS-Bench as a reliable foundation for grounded, multimodal language generation in numeric domains.
Authors: Hua Yuan, Xuran Meng, Qiufeng Wang, Shiyu Xia, Ning Xu, Xu Yang, Jing Wang, Xin Geng, Yong Rui
Abstract: Parameter transfer is a central paradigm in transfer learning, enabling knowledge reuse across tasks and domains by sharing model parameters between upstream and downstream models. However, when only a subset of parameters from the upstream model is transferred to the downstream model, there remains a lack of theoretical understanding of the conditions under which such partial parameter reuse is beneficial and of the factors that govern its effectiveness. To address this gap, we analyze a setting in which both the upstream and downstream models are ReLU convolutional neural networks (CNNs). Within this theoretical framework, we characterize how the inherited parameters act as carriers of universal knowledge and identify key factors that amplify their beneficial impact on the target task. Furthermore, our analysis provides insight into why, in certain cases, transferring parameters can lead to lower test accuracy on the target task than training a new model from scratch. To our best knowledge, our theory is the first to provide a dynamic analysis for parameter transfer and also the first to prove the existence of negative transfer theoretically. Numerical experiments and real-world data experiments are conducted to empirically validate our theoretical findings.
Authors: Iryna Stanishevska, Seth Guikema
Abstract: Thunderstorm-driven power outages are difficult to predict because most storms do not cause damage, convective processes occur rapidly and chaotically, and the available public data are noisy and incomplete. Severe convective storms now account for a large and rising share of U.S. weather losses, yet thunderstorm-induced outages remain understudied. We develop a 48-hour early-warning model for summer thunderstorm-related outages in Michigan using only open-source outage (EAGLE-I) and weather (METAR) data. Relative to prior work, we (i) rely solely on public data, (ii) preserve convective extremes from a sparse station network via parameter-specific kriging and causal spatiotemporal features, and (iii) use a multi-level LSTM-based architecture evaluated on event-centric peak metrics. The pipeline builds rolling and k-NN inverse-distance aggregates to capture moisture advection, wind shifts, and pressure drops. A two-stage design uses a logistic gate followed by a long short-term memory (LSTM) regressor to filter routine periods and limit noise exposure. Evaluation focuses on state-level peaks of at least 50,000 customers without power, using hits, misses, false alarms, and peak-conditional MASE (cMASE) within 48-hour windows, with uncertainty quantified by block bootstrapping. On the test sample, the Two-Stage model detects more peaks with only one additional false alarm and reduces cMASE near peaks, providing event-focused early warnings without the utility-specific data.
Authors: Maryam Abdollahi Shamami, Babak Teimourpour, Farshad Sharifi
Abstract: Drug-drug interactions (DDIs) are a leading cause of preventable adverse events, often complicating treatment and increasing healthcare costs. At the same time, knowing which drugs do not interact is equally important, as such knowledge supports safer prescriptions and better patient outcomes. In this study, we propose an interpretable and efficient framework that blends modern machine learning with domain knowledge to improve DDI prediction. Our approach combines two complementary molecular embeddings - Mol2Vec, which captures fragment-level structural patterns, and SMILES-BERT, which learns contextual chemical features - together with a leakage-free, rule-based clinical score (RBScore) that injects pharmacological knowledge without relying on interaction labels. A lightweight neural classifier is then optimized using a novel three-stage metaheuristic strategy (RSmpl-ACO-PSO), which balances global exploration and local refinement for stable performance. Experiments on real-world datasets demonstrate that the model achieves high predictive accuracy (ROC-AUC 0.911, PR-AUC 0.867 on DrugBank) and generalizes well to a clinically relevant Type 2 Diabetes Mellitus cohort. Beyond raw performance, studies show how embedding fusion, RBScore, and the optimizer each contribute to precision and robustness. Together, these results highlight a practical pathway for building reliable, interpretable, and computationally efficient models that can support safer drug therapies and clinical decision-making.
Authors: Zhengyu Chen, Jinluan Yang, Teng Xiao, Ruochen Zhou, Luan Zhang, Xiangyu Xi, Xiaowei Shi, Wei Wang, Jinggang Wang
Abstract: Recent advances in large language models (LLMs) have demonstrated remarkable capabilities in reasoning and tool utilization. However, the generalization of tool-augmented reinforcement learning (RL) across diverse domains remains a significant challenge. Standard paradigms often treat tool usage as a linear or isolated event, which becomes brittle when transferring skills from restricted domains (e.g., mathematics) to open-ended tasks. In this work, we investigate the cross-domain generalization of an LLM agent trained exclusively on mathematical problem-solving. To facilitate robust skill transfer, we propose a {\textbf{R}einforcement Learning for \textbf{I}nterleaved \textbf{T}ool \textbf{E}xecution (RITE)}. Unlike traditional methods, RITE enforces a continuous ``Plan-Action-Reflection'' cycle, allowing the model to ground its reasoning in intermediate tool outputs and self-correct during long-horizon tasks. To effectively train this complex interleaved policy, we introduce {Dr. GRPO}, a robust optimization objective that utilizes token-level loss aggregation with importance sampling to mitigate reward sparsity and high-variance credit assignment. Furthermore, we employ a dual-component reward system and dynamic curriculum via online rollout filtering to ensure structural integrity and sample efficiency. Extensive experiments reveal that our approach, despite being trained solely on math tasks, achieves state-of-the-art performance across diverse reasoning domains, demonstrating high token efficiency and strong generalization capabilities.
Authors: Shihao Ji, Zihui Song
Abstract: The Mixture of Experts (MoE) architecture enables the scaling of Large Language Models (LLMs) to trillions of parameters by activating a sparse subset of weights for each input, maintaining constant computational cost during inference. Concurrently, Low-Rank Adaptation (LoRA) has emerged as a dominant technique for parameter-efficiently fine-tuning LLMs on specialized tasks. In this work, we unify these two paradigms into a novel, end-to-end trainable framework named L-MoE: a Lightweight Mixture of LoRA Experts. L-MoE redefines MoE experts not as dense feed-forward networks, but as a collection of task-specialized, low-rank adapters. A lightweight gating network, trained jointly with the experts, learns to dynamically compose these LoRA adapters by computing a weighted average of their parameters for each input token. This composition is fully differentiable, allowing gradients from a standard auto-regressive language modeling objective to flow back through the entire architecture, simultaneously refining both the expert adapters and the routing strategy. This approach creates a highly parameter-efficient MoE model that is modular by design, allows for dynamic skill composition, and is trainable from end-to-end. We present the formal mathematical framework for L-MoE, detailing the differentiable routing mechanism and the joint optimization objective, thereby providing a new path toward building more efficient, scalable, and specialized language models.
Authors: Hsiu-Yuan Huang, Chenming Tang, Weijie Liu, Clive Bai, Saiyong Yang, Yunfang Wu
Abstract: Existing Reinforcement Learning from Verifiable Rewards (RLVR) methods, such as Group Relative Policy Optimization (GRPO), have achieved remarkable progress in improving the reasoning capabilities of Large Reasoning Models (LRMs). However, they exhibit limited exploration due to reliance on on-policy rollouts which are confined to the current policy's distribution, resulting in narrow trajectory diversity. Recent approaches attempt to expand policy coverage by incorporating trajectories generated from stronger expert models, yet this reliance increases computational cost and such advanced models are often inaccessible. To address these issues, we propose In-Context Steered Policy Optimization (ICPO), a unified framework that leverages the inherent in-context learning capability of LRMs to provide expert guidance using existing datasets. ICPO introduces mixed-policy GRPO with implicit expert forcing, which expands exploration beyond the current policy distribution without requiring advanced LRM trajectories. To further stabilize optimization, ICPO integrates expert region reject sampling to filter unreliable off-policy trajectories and annealed expert-bonus reward shaping to balance early expert guidance with later autonomous improvement. Results demonstrate that ICPO consistently enhances RLVR performance and training stability on mathematical reasoning benchmarks, revealing a scalable and effective RLVR paradigm for LRMs. Our code is available at https://anonymous.4open.science/r/ICPO.
Authors: Wenjie Hu, Sidun Liu, Peng Qiao, Zhenglun Sun, Yong Dou
Abstract: Recent advances in Transformer-based Neural Operators have enabled significant progress in data-driven solvers for Partial Differential Equations (PDEs). Most current research has focused on reducing the quadratic complexity of attention to address the resulting low training and inference efficiency. Among these works, Transolver stands out as a representative method that introduces Physics-Attention to reduce computational costs. Physics-Attention projects grid points into slices for slice attention, then maps them back through deslicing. However, we observe that Physics-Attention can be reformulated as a special case of linear attention, and that the slice attention may even hurt the model performance. Based on these observations, we argue that its effectiveness primarily arises from the slice and deslice operations rather than interactions between slices. Building on this insight, we propose a two-step transformation to redesign Physics-Attention into a canonical linear attention, which we call Linear Attention Neural Operator (LinearNO). Our method achieves state-of-the-art performance on six standard PDE benchmarks, while reducing the number of parameters by an average of 40.0% and computational cost by 36.2%. Additionally, it delivers superior performance on two challenging, industrial-level datasets: AirfRANS and Shape-Net Car.
Authors: Zhuoyun Du, Runze Wang, Huiyu Bai, Zouying Cao, Xiaoyong Zhu, Yu Cheng, Bo Zheng, Wei Chen, Haochao Ying
Abstract: While natural language is the de facto communication medium for LLM-based agents, it presents a fundamental constraint. The process of downsampling rich, internal latent states into discrete tokens inherently limits the depth and nuance of information that can be transmitted, thereby hindering collaborative problem-solving. Inspired by telepathy, which bypasses symbolic language in communication, we propose Interlat (Inter-agent Latent Space Communication), a paradigm that leverages the continuous last hidden states of an LLM as a representation of its thought for direct communication (termed latent communication). An additional learned compression process further compresses latent communication via latent space reasoning. Experiments demonstrate that Interlat outperforms both fine-tuned chain-of-thought (CoT) prompting and single-agent baselines, even across heterogeneous models, promoting more exploratory behavior and enabling genuine utilization of latent information. Further compression not only substantially accelerates inference by up to 24 times but also maintains competitive performance through an efficient information-preserving mechanism. We position this work as a feasibility study of entirely latent space inter-agent communication, and our results highlight its potential, offering valuable insights for future research.
Authors: Tingyang Wei, Jiao Liu, Abhishek Gupta, Chin Chun Ooi, Puay Siew Tan, Yew-Soon Ong
Abstract: Many real-world applications require solving families of expensive multi-objective optimization problems~(EMOPs) under varying operational conditions. This gives rise to parametric expensive multi-objective optimization problems (P-EMOPs) where each task parameter defines a distinct optimization instance. Current multi-objective Bayesian optimization methods have been widely used for finding finite sets of Pareto optimal solutions for individual tasks. However, P-EMOPs present a fundamental challenge: the continuous task parameter space can contain infinite distinct problems, each requiring separate expensive evaluations. This demands learning an inverse model that can directly predict optimized solutions for any task-preference query without expensive re-evaluation. This paper introduces a novel parametric multi-task multi-objective Bayesian optimizer that learns this inverse model by alternating between (1) acquisition-driven search leveraging inter-task synergies and (2) generative solution sampling via conditional generative models. This approach enables efficient optimization across related tasks and finally achieves direct solution prediction for unseen parameterized EMOPs without additional expensive evaluations. We theoretically justify the faster convergence by leveraging inter-task synergies through task-aware Gaussian processes. Meanwhile, based on that, empirical studies of our optimizer and inverse model in synthetic and real-world benchmarks further verify the effectiveness of the proposed generative alternating framework.
Authors: Panayiotis Panayiotou, Audrey Poinsot, Alessandro Leite, Nicolas Chesneau, Marc Schoenauer, \"Ozg\"ur \c{S}im\c{s}ek
Abstract: Causal machine learning (Causal ML) aims to answer "what if" questions using machine learning algorithms, making it a promising tool for high-stakes decision-making. Yet, empirical evaluation practices in Causal ML remain limited. Existing benchmarks often rely on a handful of hand-crafted or semi-synthetic datasets, leading to brittle, non-generalizable conclusions. To bridge this gap, we introduce CausalProfiler, a synthetic benchmark generator for Causal ML methods. Based on a set of explicit design choices about the class of causal models, queries, and data considered, the CausalProfiler randomly samples causal models, data, queries, and ground truths constituting the synthetic causal benchmarks. In this way, Causal ML methods can be rigorously and transparently evaluated under a variety of conditions. This work offers the first random generator of synthetic causal benchmarks with coverage guarantees and transparent assumptions operating on the three levels of causal reasoning: observation, intervention, and counterfactual. We demonstrate its utility by evaluating several state-of-the-art methods under diverse conditions and assumptions, both in and out of the identification regime, illustrating the types of analyses and insights the CausalProfiler enables.
Authors: Philippe Rigollet
Abstract: We develop a mathematical framework that interprets Transformer attention as an interacting particle system and studies its continuum (mean-field) limits. By idealizing attention on the sphere, we connect Transformer dynamics to Wasserstein gradient flows, synchronization models (Kuramoto), and mean-shift clustering. Central to our results is a global clustering phenomenon whereby tokens cluster asymptotically after long metastable states where they are arranged into multiple clusters. We further analyze a tractable equiangular reduction to obtain exact clustering rates, show how commonly used normalization schemes alter contraction speeds, and identify a phase transition for long-context attention. The results highlight both the mechanisms that drive representation collapse and the regimes that preserve expressive, multi-cluster structure in deep attention architectures.
Authors: Jiaxu Liu, Yuhe Bai, Xiangyu Yin, Christos-Savvas Bouganis
Abstract: Modern autoregressive models rely on attention, yet the Softmax full attention in Transformers scales quadratically with sequence length. Sliding Window Attention (SWA) achieves linear-time encoding/decoding by constraining the attention pattern, but under an \textit{Associative Memory} interpretation, its difference-style update renders the training objective effectively \emph{unbounded}. In contrast, Softmax attention normalizes updates, leading to \emph{memory shrinkage and gradient vanishing}. We propose GatedFWA: a Memory-\underline{Gated} (\underline{F}lash) \underline{W}indowed \underline{A}ttention mechanism that preserves SWAs efficiency while stabilizing memory updates and making gradient flow controllable. In essence, GatedFWA accumulate a per-token/head gate into a decay bias added to the attention logits, acting as a learnable contraction in the memory recurrence. We implement a fused one-pass gate preprocessing and a FlashAttention-compatible kernel that injects the gate under a sliding mask, ensuring I/O efficiency and numerical stability. On language modelling benchmarks, GatedFWA delivers competitive throughput with negligible overhead and better use of global context, and it integrates cleanly with token compression/selection methods such as NSA and generalizes to various autoregressive domains.
Authors: Jingdi Lei, Di Zhang, Soujanya Poria
Abstract: Linear-time attention and State Space Models (SSMs) promise to solve the quadratic cost bottleneck in long-context language models employing softmax attention. We introduce Error-Free Linear Attention (EFLA), a numerically stable, fully parallelism and generalized formulation of the delta rule. Specifically, we formulate the online learning update as a continuous-time dynamical system and prove that its exact solution is not only attainable but also computable in linear time with full parallelism. By leveraging the rank-1 structure of the dynamics matrix, we directly derive the exact closed-form solution effectively corresponding to the infinite-order Runge-Kutta method. This attention mechanism is theoretically free from error accumulation, perfectly capturing the continuous dynamics while preserving the linear-time complexity. Through an extensive suite of experiments, we show that EFLA enables robust performance in noisy environments, achieving lower language modeling perplexity and superior downstream benchmark performance than DeltaNet without introducing additional parameters. Our work provides a new theoretical foundation for building high-fidelity, scalable linear-time attention models.
Authors: Kamil Ciosek, Nicol\`o Felicioni, Sina Ghiassian, Juan Elenter Litwin, Francesco Tonolini, David Gustafsson, Eva Garcia-Martin, Carmen Barcena Gonzalez, Rapha\"elle Bertrand-Lalo
Abstract: We make two contributions to the problem of estimating the $L_1$ calibration error of a binary classifier from a finite dataset. First, we provide an upper bound for any classifier where the calibration function has bounded variation. Second, we provide a method of modifying any classifier so that its calibration error can be upper bounded efficiently without significantly impacting classifier performance and without any restrictive assumptions. All our results are non-asymptotic and distribution-free. We conclude by providing advice on how to measure calibration error in practice. Our methods yield practical procedures that can be run on real-world datasets with modest overhead.
Authors: Lucas Cesar Ferreira Domingos, Russell Brinkworth, Paulo Eduardo Santos, Karl Sammut
Abstract: Remotely detecting and classifying underwater acoustic targets is critical for environmental monitoring and defence. However, the complexity of ship-radiated and environmental noise poses significant challenges for accurate signal processing. While recent advancements in machine learning have improved classification accuracy, limited dataset availability and a lack of standardised experimentation hinder generalisation and robustness. This paper introduces GSE ResNeXt, a deep learning architecture integrating learnable Gabor convolutional layers with a ResNeXt backbone enhanced by squeeze-and-excitation attention. The Gabor filters serve as two-dimensional adaptive band-pass filters, extending the feature channel representation. Its combination with channel attention improves training stability and convergence while enhancing the model's ability to extract discriminative features. The model is evaluated using three training-test split strategies that reflect increasingly complex classification tasks, demonstrating how systematic evaluation design addresses issues such as data leakage, temporal separation, and taxonomy. Results show that GSE ResNeXt consistently outperforms baseline models like Xception, ResNet, and MobileNetV2, in terms of classification performance. Regarding stability and convergence, adding Gabor convolutions to the initial layers of the model reduced training time by up to 62%. During the evaluation of training-testing splits, temporal separation between subsets significantly affected performance, proving more influential than training data volume. These findings suggest that signal processing can enhance model reliability and generalisation under varying environmental conditions, particularly in data-limited underwater acoustic classification. Future developments should focus on mitigating environmental effects on input signals.
Authors: Nathan Buskulic, Luca Calatroni, Lorenzo Rosasco, Silvia Villa
Abstract: Blind inverse problems arise in many experimental settings where the forward operator is partially or entirely unknown. In this context, methods developed for the non-blind case cannot be adapted in a straightforward manner. Recently, data-driven approaches have been proposed to address blind inverse problems, demonstrating strong empirical performance and adaptability. However, these methods often lack interpretability and are not supported by rigorous theoretical guarantees, limiting their reliability in applied domains such as imaging inverse problems. In this work, we shed light on learning in blind inverse problems within the simplified yet insightful framework of Linear Minimum Mean Square Estimators (LMMSEs). We provide an in-depth theoretical analysis, deriving closed-form expressions for optimal estimators and extending classical results. In particular, we establish equivalences with suitably chosen Tikhonov-regularized formulations, where the regularization depends explicitly on the distributions of the unknown signal, the noise, and the random forward operators. We also prove convergence results under appropriate source condition assumptions. Furthermore, we derive rigorous finite-sample error bounds that characterize the performance of learned estimators as a function of the noise level, problem conditioning, and number of available samples. These bounds explicitly quantify the impact of operator randomness and reveal the associated convergence rates as this randomness vanishes. Finally, we validate our theoretical findings through illustrative numerical experiments that confirm the predicted convergence behavior.
Authors: John E. Darges, Babak Maboudi Afkham, Matthias Chung
Abstract: We introduce Neural Optimal Design of Experiments, a learning-based framework for optimal experimental design in inverse problems that avoids classical bilevel optimization and indirect sparsity regularization. NODE jointly trains a neural reconstruction model and a fixed-budget set of continuous design variables representing sensor locations, sampling times, or measurement angles, within a single optimization loop. By optimizing measurement locations directly rather than weighting a dense grid of candidates, the proposed approach enforces sparsity by design, eliminates the need for l1 tuning, and substantially reduces computational complexity. We validate NODE on an analytically tractable exponential growth benchmark, on MNIST image sampling, and illustrate its effectiveness on a real world sparse view X ray CT example. In all cases, NODE outperforms baseline approaches, demonstrating improved reconstruction accuracy and task-specific performance.
Authors: Francisco Aguilera Moreno
Abstract: Predicting cycling duration for a given route is essential for training planning and event preparation. Existing solutions rely on physics-based models that require extensive parameterization, including aerodynamic drag coefficients and real-time wind forecasts, parameters impractical for most amateur cyclists. This work presents a machine learning approach that predicts ride duration using route topology features combined with the athlete's current fitness state derived from training load metrics. The model learns athlete-specific performance patterns from historical data, substituting complex physical measurements with historical performance proxies. We evaluate the approach using a single-athlete dataset (N=96 rides) in an N-of-1 study design. After rigorous feature engineering to eliminate data leakage, we find that Lasso regression with Topology + Fitness features achieves MAE=6.60 minutes and R2=0.922. Notably, integrating fitness metrics (Chronic Training Load (CTL), Acute Training Load (ATL)) reduces error by 14% compared to topology alone (MAE=7.66 min), demonstrating that physiological state meaningfully constrains performance even in self-paced efforts. Progressive checkpoint predictions enable dynamic race planning as route difficulty becomes apparent.
Authors: Julian Evan Chrisnanto, Salsabila Rahma Alia, Nurfauzi Fadillah, Yulison Herry Chrisnanto
Abstract: Simulating nonlinear reaction-diffusion dynamics on complex, non-Euclidean manifolds remains a fundamental challenge in computational morphogenesis, constrained by high-fidelity mesh generation costs and symplectic drift in discrete time-stepping schemes. This study introduces the Intrinsic-Metric Physics-Informed Neural Network (IM-PINN), a mesh-free geometric deep learning framework that solves partial differential equations directly in the continuous parametric domain. By embedding the Riemannian metric tensor into the automatic differentiation graph, our architecture analytically reconstructs the Laplace-Beltrami operator, decoupling solution complexity from geometric discretization. We validate the framework on a "Stochastic Cloth" manifold with extreme Gaussian curvature fluctuations ($K \in [-2489, 3580]$), where traditional adaptive refinement fails to resolve anisotropic Turing instabilities. Using a dual-stream architecture with Fourier feature embeddings to mitigate spectral bias, the IM-PINN recovers the "splitting spot" and "labyrinthine" regimes of the Gray-Scott model. Benchmarking against the Surface Finite Element Method (SFEM) reveals superior physical rigor: the IM-PINN achieves global mass conservation error of $\mathcal{E}_{mass} \approx 0.157$ versus SFEM's $0.258$, acting as a thermodynamically consistent global solver that eliminates mass drift inherent in semi-implicit integration. The framework offers a memory-efficient, resolution-independent paradigm for simulating biological pattern formation on evolving surfaces, bridging differential geometry and physics-informed machine learning.
Authors: Zichuan Fu, Wentao Song, Guojing Li, Yejing Wang, Xian Wu, Yimin Deng, Hanyu Yan, Yefeng Zheng, Xiangyu Zhao
Abstract: The Transformer architecture, a cornerstone of modern Large Language Models (LLMs), has achieved extraordinary success in sequence modeling, primarily due to its attention mechanism. However, despite its power, the standard attention mechanism is plagued by well-documented issues: representational collapse and attention sink. Although prior work has proposed approaches for these issues, they are often studied in isolation, obscuring their deeper connection. In this paper, we present a unified perspective, arguing that both can be traced to a common root -- improper attention allocation. We identify two failure modes: 1) Attention Overload, where tokens receive comparable high weights, blurring semantic features that lead to representational collapse; 2) Attention Underload, where no token is semantically relevant, yet attention is still forced to distribute, resulting in spurious focus such as attention sink. Building on this insight, we introduce Lazy Attention, a novel mechanism designed for a more focused attention distribution. To mitigate overload, it employs positional discrimination across both heads and dimensions to sharpen token distinctions. To counteract underload, it incorporates Elastic-Softmax, a modified normalization function that relaxes the standard softmax constraint to suppress attention on irrelevant tokens. Experiments on the FineWeb-Edu corpus, evaluated across nine diverse benchmarks, demonstrate that Lazy Attention successfully mitigates attention sink and achieves competitive performance compared to both standard attention and modern architectures, while reaching up to 59.58% attention sparsity.
Authors: Golbahar Amanpour, Benyamin Ghojogh
Abstract: This paper, introducing a novel method in philomatics, draws on Wittgenstein's concept of family resemblance from analytic philosophy to develop a clustering algorithm for machine learning. According to Wittgenstein's Philosophical Investigations (1953), family resemblance holds that members of a concept or category are connected by overlapping similarities rather than a single defining property. Consequently, a family of entities forms a chain of items sharing overlapping traits. This philosophical idea naturally lends itself to a graph-based approach in machine learning. Accordingly, we propose the Wittgenstein's Family Resemblance (WFR) clustering algorithm and its kernel variant, kernel WFR. This algorithm computes resemblance scores between neighboring data instances, and after thresholding these scores, a resemblance graph is constructed. The connected components of this graph define the resulting clusters. Simulations on benchmark datasets demonstrate that WFR is an effective nonlinear clustering algorithm that does not require prior knowledge of the number of clusters or assumptions about their shapes.
Authors: John Zhao
Abstract: The $\mu$-parameterization ($\mu$P) provides a principled foundation for large language model (LLM) training by prescribing width-independent learning dynamics, which in turn enables predictable scaling behavior and robust hyperparameter transfer across model sizes. A central requirement of $\mu$P is the satisfaction of certain spectral conditions on weight matrices, which ensure consistent feature learning and optimization behavior as model width grows. While these conditions are well understood in theory, guaranteeing their validity in practical training for matrix-based optimizers such as Muon is still under studied. Existing works that study Muon under $\mu$P exhibit important limitations: they either do not ensure that the spectral conditions hold throughout the entire training horizon, or require repeated spectral normalization (or Newton-Schulz iterations) applied to both weights and updates, leading to significant computational overhead and reduced practicality. In this work, we show how to reliably guarantee the spectral conditions required by $\mu$P for Muon during the entire training process. Our key insight is that for moderately large models, maintaining spectral control at the level of optimizer updates alone is sufficient to preserve $\mu$P-compatible scaling, eliminating the need for explicit spectral normalization of the weights. Based on this principle, we develop a variant of Muon, namely Muon++, that satisfies spectral condition throughout the training process. Our results bridge the gap between the theoretical promises of $\mu$P and the practical deployment of matrix-based optimizers in long-horizon training. We also take the first step towards an adaptive spectral condition by incorporating data-dependent effects, making it better suited for long-horizon LLM training.
Authors: Jiacheng Lyu, Bihua Bao
Abstract: The proliferation of large-scale datasets poses a major computational challenge to model training. The traditional data subsampling method works as a static, task independent preprocessing step which usually discards information that is critical to downstream prediction. In this paper, we introduce the antagonistic soft selection subsampling (ASSS) framework as a novel paradigm that reconstructs data reduction into a differentiable end-to-end learning problem. ASSS uses the adversarial game between selector network and task network, and selector network learning assigns continuous importance weights to samples. This direct optimization implemented by Gumbel-Softmax relaxation allows the selector to identify and retain samples with the maximum amount of information for a specific task target under the guidance of the loss function that balances the fidelity and sparsity of the prediction. Theoretical analysis links this framework with the information bottleneck principle. Comprehensive experiments on four large-scale real world datasets show that ASSS has always been better than heuristic subsampling baselines such as clustering and nearest neighbor thinning in maintaining model performance. It is worth noting that ASSS can not only match, but also sometimes exceed the training performance of the entire dataset, showcasing the effect of intelligent denoising. This work establishes task aware data subsampling as a learnable component, providing a principled solution for effective large-scale data learning.
Authors: Shristi Das Biswas, Yue Zhang, Anwesan Pal, Radhika Bhargava, Kaushik Roy
Abstract: Large Language Models (LLMs) suffer severe catastrophic forgetting when adapted sequentially to new tasks in a continual learning (CL) setting. Existing approaches are fundamentally limited: replay-based methods are impractical and privacy-violating, while strict orthogonality-based methods collapse under scale: each new task is projected onto an orthogonal complement, progressively reducing the residual degrees of freedom and eliminating forward transfer by forbidding overlap in shared representations. In this work, we introduce ELLA, a training framework built on the principle of selective subspace de-correlation. Rather than forbidding all overlap, ELLA explicitly characterizes the structure of past updates and penalizes alignments along their high-energy, task-specific directions, while preserving freedom in the low-energy residual subspaces to enable transfer. Formally, this is realized via a lightweight regularizer on a single aggregated update matrix. We prove this mechanism corresponds to an anisotropic shrinkage operator that bounds interference, yielding a penalty that is both memory- and compute-constant regardless of task sequence length. ELLA requires no data replay, no architectural expansion, and negligible storage. Empirically, it achieves state-of-the-art CL performance on three popular benchmarks, with relative accuracy gains of up to $9.6\%$ and a $35\times$ smaller memory footprint. Further, ELLA scales robustly across architectures and actively enhances the model's zero-shot generalization performance on unseen tasks, establishing a principled and scalable solution for constructive lifelong LLM adaptation.
Authors: Hao Bai, Alexey Taymanov, Tong Zhang, Aviral Kumar, Spencer Whitehead
Abstract: We present WebGym, the largest-to-date open-source environment for training realistic visual web agents. Real websites are non-stationary and diverse, making artificial or small-scale task sets insufficient for robust policy learning. WebGym contains nearly 300,000 tasks with rubric-based evaluations across diverse, real-world websites and difficulty levels. We train agents with a simple reinforcement learning (RL) recipe, which trains on the agent's own interaction traces (rollouts), using task rewards as feedback to guide learning. To enable scaling RL, we speed up sampling of trajectories in WebGym by developing a high-throughput asynchronous rollout system, designed specifically for web agents. Our system achieves a 4-5x rollout speedup compared to naive implementations. Second, we scale the task set breadth, depth, and size, which results in continued performance improvement. Fine-tuning a strong base vision-language model, Qwen-3-VL-8B-Instruct, on WebGym results in an improvement in success rate on an out-of-distribution test set from 26.2% to 42.9%, significantly outperforming agents based on proprietary models such as GPT-4o and GPT-5-Thinking that achieve 27.1% and 29.8%, respectively. This improvement is substantial because our test set consists only of tasks on websites never seen during training, unlike many other prior works on training visual web agents.
Authors: Alfredo Braunstein, Giovanni Catania, Luca Dall'Asta, Matteo Mariani, Anna Paola Muntoni
Abstract: Computing observables from conditioned dynamics is typically computationally hard, because, although obtaining independent samples efficiently from the unconditioned dynamics is usually feasible, generally most of the samples must be discarded (in a form of importance sampling) because they do not satisfy the imposed conditions. Sampling directly from the conditioned distribution is non-trivial, as conditioning breaks the causal properties of the dynamics which ultimately renders the sampling procedure efficient. One standard way of achieving it is through a Metropolis Monte-Carlo procedure, but this procedure is normally slow and a very large number of Monte-Carlo steps is needed to obtain a small number of statistically independent samples. In this work, we propose an alternative method to produce independent samples from a conditioned distribution. The method learns the parameters of a generalized dynamical model that optimally describe the conditioned distribution in a variational sense. The outcome is an effective, unconditioned, dynamical model, from which one can trivially obtain independent samples, effectively restoring causality of the conditioned distribution. The consequences are twofold: on the one hand, it allows us to efficiently compute observables from the conditioned dynamics by simply averaging over independent samples. On the other hand, the method gives an effective unconditioned distribution which is easier to interpret. The method is flexible and can be applied virtually to any dynamics. We discuss an important application of the method, namely the problem of epidemic risk assessment from (imperfect) clinical tests, for a large family of time-continuous epidemic models endowed with a Gillespie-like sampler. We show that the method compares favorably against the state of the art, including the soft-margin approach and mean-field methods.
Authors: Valter Uotila
Abstract: Recent advances in quantum computing have led to progress in exploring quantum applications across diverse fields, including databases and data management. This work presents a quantum machine learning model that tackles the challenge of estimating metrics, such as cardinalities, execution times, and costs, for SQL queries in relational databases. Precise estimations are crucial for the query optimizer to optimize query processing in relational databases efficiently. Our proposed quantum machine learning model consists of a novel query encoding mechanism, which maps SQL queries into high-dimensional Hilbert spaces using grammatical representations of the queries. The encoding mechanism translates SQL queries into parameterized quantum circuits, forming the core of the quantum machine learning model. The parameters in this model are tuned using standard quantum machine learning techniques. This encoding was first developed in quantum natural language processing (QNLP), and this work demonstrates its natural application in database optimization. Because the encoding mechanism is mathematically robust, the quantum machine learning model is also explainable, allowing us to draw a one-to-one correspondence between the elements in SQL queries and the model's parameters. The method is also scalable because it consists of multiple circuits, and we train and evaluate the model with hundreds of queries. Compared to previous research, our model achieves high accuracy, supporting the results obtained in the original QNLP research. We extend the previous QNLP work by adding 4-class and 8-class classification tasks and comparing the cardinality estimation results with those from state-of-the-art databases. We theoretically analyze the quantum machine learning model by calculating its expressibility and entangling capabilities.
Authors: Marc Jourdan, Andr\'ee Delahaye-Duriez, Cl\'emence R\'eda
Abstract: In good arm identification (GAI), the goal is to identify one arm whose average performance exceeds a given threshold, referred to as a good arm, if it exists. Few works have studied GAI in the fixed-budget setting when the sampling budget is fixed beforehand, or in the anytime setting, when a recommendation can be asked at any time. We propose APGAI, an anytime and parameter-free sampling rule for GAI in stochastic bandits. APGAI can be straightforwardly used in fixed-confidence and fixed-budget settings. First, we derive upper bounds on its probability of error at any time. They show that adaptive strategies can be more efficient in detecting the absence of good arms than uniform sampling in several diverse instances. Second, when APGAI is combined with a stopping rule, we prove upper bounds on the expected sampling complexity, holding at any confidence level. Finally, we show the good empirical performance of APGAI on synthetic and real-world data. Our work offers an extensive overview of the GAI problem in all settings.
Authors: Ernst R\"oell, Bastian Rieck
Abstract: Point cloud synthesis, i.e. the generation of novel point clouds from an input distribution, remains a challenging task, for which numerous complex machine learning models have been devised. We develop a novel method that encodes geometrical-topological characteristics of point clouds using inner products, leading to a highly-efficient point cloud representation with provable expressivity properties. Integrated into deep learning models, our encoding exhibits high quality in typical tasks like reconstruction, generation, and interpolation, with inference times orders of magnitude faster than existing methods.
Authors: Michele Marzollo, Jiawei Zhuang, Niklas Roemer, Niklas Zwingenberger, Lorenz K. M\"uller, Lukas Cavigelli
Abstract: Speculative Decoding has emerged as a popular technique for accelerating inference in Large Language Models. However, most existing approaches yield only modest improvements in production serving systems. Methods that achieve substantial speedups typically rely on an additional trained draft model or auxiliary model components, increasing deployment and maintenance complexity. This added complexity reduces flexibility, particularly when serving workloads shift to tasks, domains, or languages that are not well represented in the draft model's training data. We introduce Simply-Scalable Speculative Decoding (SSSD), a training-free method that combines lightweight n-gram matching with hardware-aware speculation. Relative to standard autoregressive decoding, SSSD reduces latency by up to 2.9x. It achieves performance on par with leading training-based approaches across a broad range of benchmarks, while requiring substantially lower adoption effort--no data preparation, training or tuning are needed--and exhibiting superior robustness under language and domain shift, as well as in long-context settings.
Authors: Edgar Beck, Hsuan-Yu Lin, Patrick R\"uckert, Yongping Bao, Bettina von Helversen, Sebastian Fehrler, Kirsten Tracht, Armin Dekorsy
Abstract: As early as 1949, Weaver defined communication in a very broad sense to include all procedures by which one mind or technical system can influence another, thus establishing the idea of semantic communication. With the recent success of machine learning in expert assistance systems where sensed information is wirelessly provided to a human to assist task execution, the need to design effective and efficient communications has become increasingly apparent. In particular, semantic communication aims to convey the meaning behind the sensed information relevant for Human Decision-Making (HDM). Regarding the interplay between semantic communication and HDM, many questions remain, such as how to model the entire end-to-end sensing-decision-making process, how to design semantic communication for the HDM and which information should be provided for HDM. To address these questions, we propose to integrate semantic communication and HDM into one probabilistic end-to-end sensing-decision framework that bridges communications and psychology. In our interdisciplinary framework, we model the human through a HDM process, allowing us to explore how feature extraction from semantic communication can best support HDM both in theory and in simulations. In this sense, our study reveals the fundamental design trade-off between maximizing the relevant semantic information and matching the cognitive capabilities of the HDM model. Our initial analysis shows how semantic communication can balance the level of detail with human cognitive capabilities while demanding less bandwidth, power, and latency.
Authors: Zhenyu Wang, Yifan Hu, Peter B\"uhlmann, Zijian Guo
Abstract: Identifying the causal relationship among variables from observational data is an important yet challenging task. This work focuses on identifying the direct causes of an outcome and estimating their magnitude, i.e., learning the causal outcome model. Data from multiple environments provide valuable opportunities to uncover causality by exploiting the invariance principle that the causal outcome model holds across heterogeneous environments. Based on the invariance principle, we propose the Negative Weighted Distributionally Robust Optimization (NegDRO) framework to learn an invariant prediction model. NegDRO minimizes the worst-case combination of risks across multiple environments and enforces invariance by allowing potential negative weights. Under the additive interventions regime, we establish three major contributions: (i) On the statistical side, we provide sufficient and nearly necessary identification conditions under which the invariant prediction model coincides with the causal outcome model; (ii) On the optimization side, despite the nonconvexity of NegDRO, we establish its benign optimization landscape, where all stationary points lie close to the true causal outcome model; (iii) On the computational side, we develop a gradient-based algorithm that provably converges to the causal outcome model, with non-asymptotic convergence rates in both sample size and gradient-descent iterations. In particular, our method avoids exhaustive combinatorial searches over exponentially many subsets of covariates found in the literature, ensuring scalability even when the dimension of the covariates is large. To our knowledge, this is the first causal invariance learning method that finds the approximate global optimality for a nonconvex optimization problem efficiently.
Authors: Stephen Whitelam, Corneel Casert
Abstract: We present the design for a thermodynamic computer that can perform arbitrary nonlinear calculations in or out of equilibrium. Simple thermodynamic circuits, fluctuating degrees of freedom in contact with a thermal bath and confined by a quartic potential, display an activity that is a nonlinear function of their input. Such circuits can therefore be regarded as thermodynamic neurons, and can serve as the building blocks of networked structures that act as thermodynamic neural networks, universal function approximators whose operation is powered by thermal fluctuations. We simulate a digital model of a thermodynamic neural network, and show that its parameters can be adjusted by genetic algorithm to perform nonlinear calculations at specified observation times, regardless of whether the system has attained thermal equilibrium. This work expands the field of thermodynamic computing beyond the regime of thermal equilibrium, enabling fully nonlinear computations, analogous to those performed by classical neural networks, at specified observation times.
Authors: Kunyu Peng, Di Wen, M. Saquib Sarfraz, Yufan Chen, Junwei Zheng, David Schneider, Kailun Yang, Jiamin Wu, Alina Roitberg, Rainer Stiefelhagen
Abstract: Open-Set Domain Generalization (OSDG) is a challenging task requiring models to accurately predict familiar categories while minimizing confidence for unknown categories to effectively reject them in unseen domains. While the OSDG field has seen considerable advancements, the impact of label noise--a common issue in real-world datasets--has been largely overlooked. Label noise can mislead model optimization, thereby exacerbating the challenges of open-set recognition in novel domains. In this study, we take the first step towards addressing Open-Set Domain Generalization under Noisy Labels (OSDG-NL) by constructing dedicated benchmarks derived from widely used OSDG datasets, including PACS and DigitsDG. We evaluate baseline approaches by integrating techniques from both label denoising and OSDG methodologies, highlighting the limitations of existing strategies in handling label noise effectively. To address these limitations, we propose HyProMeta, a novel framework that integrates hyperbolic category prototypes for label noise-aware meta-learning alongside a learnable new-category agnostic prompt designed to enhance generalization to unseen classes. Our extensive experiments demonstrate the superior performance of HyProMeta compared to state-of-the-art methods across the newly established benchmarks. The source code of this work is released at https://github.com/KPeng9510/HyProMeta.
Authors: Alexander Du, Xiujin Liu
Abstract: This paper proposes PoseLecTr, a graph-based encoder-decoder framework that integrates a novel Legendre convolution with attention mechanisms for six-degree-of-freedom (6-DOF) object pose estimation from monocular RGB images. Conventional learning-based approaches predominantly rely on grid-structured convolutions, which can limit their ability to model higher-order and long-range dependencies among image features, especially in cluttered or occluded scenes. PoseLecTr addresses this limitation by constructing a graph representation from image features, where spatial relationships are explicitly modeled through graph connectivity. The proposed framework incorporates a Legendre convolution layer to improve numerical stability in graph convolution, together with spatial-attention and self-attention distillation to enhance feature selection. Experiments conducted on the LINEMOD, Occluded LINEMOD, and YCB-VIDEO datasets demonstrate that our method achieves competitive performance and shows consistent improvements across a wide range of objects and scene complexities.
Authors: Michael Ben Ali (IRIT), Omar El-Rifai (CIS-ENSMSE), Imen Megdiche (IRIT-SIG, INUC), Andr\'e Peninou (IRIT-SIG, UT2J), Olivier Teste (IRIT-SIG)
Abstract: As Federated Learning (FL) expands, the challenge of non-independent and identically distributed (non-IID) data becomes critical. Clustered Federated Learning (CFL) addresses this by training multiple specialized models, each representing a group of clients with similar data distributions. However, the term ''CFL'' has increasingly been applied to operational strategies unrelated to data heterogeneity, creating significant ambiguity. This survey provides a systematic review of the CFL literature and introduces a principled taxonomy that classifies algorithms into Server-side, Client-side, and Metadata-based approaches. Our analysis reveals a distinct dichotomy: while theoretical research prioritizes privacy-preserving Server/Client-side methods, real-world applications in IoT, Mobility, and Energy overwhelmingly favor Metadata-based efficiency. Furthermore, we explicitly distinguish ''Core CFL'' (grouping clients for non-IID data) from ''Clustered X FL'' (operational variants for system heterogeneity). Finally, we outline lessons learned and future directions to bridge the gap between theoretical privacy and practical efficiency.
Authors: Lujie Yang, H. J. Terry Suh, Tong Zhao, Bernhard Paus Graesdal, Tarik Kelestemur, Jiuguang Wang, Tao Pang, Russ Tedrake
Abstract: We present a low-cost data generation pipeline that integrates physics-based simulation, human demonstrations, and model-based planning to efficiently generate large-scale, high-quality datasets for contact-rich robotic manipulation tasks. Starting with a small number of embodiment-flexible human demonstrations collected in a virtual reality simulation environment, the pipeline refines these demonstrations using optimization-based kinematic retargeting and trajectory optimization to adapt them across various robot embodiments and physical parameters. This process yields a diverse, physically consistent dataset that enables cross-embodiment data transfer, and offers the potential to reuse legacy datasets collected under different hardware configurations or physical parameters. We validate the pipeline's effectiveness by training diffusion policies from the generated datasets for challenging contact-rich manipulation tasks across multiple robot embodiments, including a floating Allegro hand and bimanual robot arms. The trained policies are deployed zero-shot on hardware for bimanual iiwa arms, achieving high success rates with minimal human input. Project website: https://lujieyang.github.io/physicsgen/.
Authors: Yiheng Liu, Zhengliang Liu, Zihao Wu, Junhao Ning, Haiyang Sun, Sichen Xia, Yang Yang, Xiaohui Gao, Ning Qiang, Bao Ge, Tianming Liu, Junwei Han, Xintao Hu
Abstract: In recent years, the rapid advancement of large language models (LLMs) in natural language processing has sparked significant interest among researchers to understand their mechanisms and functional characteristics. Although prior studies have attempted to explain LLM functionalities by identifying and interpreting specific neurons, these efforts mostly focus on individual neuron contributions, neglecting the fact that human brain functions are realized through intricate interaction networks. Inspired by research on functional brain networks (FBNs) in the field of neuroscience, we utilize similar methodologies estabilished in FBN analysis to explore the "functional networks" within LLMs in this study. Experimental results highlight that, much like the human brain, LLMs exhibit certain functional networks that recur frequently during their operation. Further investigation reveals that these functional networks are indispensable for LLM performance. Inhibiting key functional networks severely impairs the model's capabilities. Conversely, amplifying the activity of neurons within these networks can enhance either the model's overall performance or its performance on specific tasks. This suggests that these functional networks are strongly associated with either specific tasks or the overall performance of the LLM. Code is available at https://github.com/WhatAboutMyStar/LLM_ACTIVATION.
Authors: Wonduk Seo, Juhyeon Lee, Yanjun Shao, Qingshan Zhou, Seunghyun Lee, Yi Bu
Abstract: Large Language Models (LLMs) have enabled dynamic reasoning in automated data analytics, yet recent multi-agent systems remain limited by rigid, single-path workflows that restrict strategic exploration and often lead to suboptimal outcomes. To overcome these limitations, we propose SPIO (Sequential Plan Integration and Optimization), a framework that replaces rigid workflows with adaptive, multi-path planning across four core modules: data preprocessing, feature engineering, model selection, and hyperparameter tuning. In each module, specialized agents generate diverse candidate strategies, which are cascaded and refined by an optimization agent. SPIO offers two operating modes: SPIO-S for selecting a single optimal pipeline, and SPIO-E for ensembling top-k pipelines to maximize robustness. Extensive evaluations on Kaggle and OpenML benchmarks show that SPIO consistently outperforms state-of-the-art baselines, achieving an average performance gain of 5.6%. By explicitly exploring and integrating multiple solution paths, SPIO delivers a more flexible, accurate, and reliable foundation for automated data science.
Authors: Arthur M. Faria, Ignacio F. Gra\~na, Savvas Varsamopoulos
Abstract: Quantum Graph Neural Networks (QGNNs) offer a promising approach to combining quantum computing with graph-structured data processing. While classical Graph Neural Networks (GNNs) are scalable and robust, existing QGNNs often lack flexibility due to graph-specific quantum circuit designs, limiting their applicability to diverse real-world problems. To address this, we propose a versatile QGNN framework inspired by GraphSAGE, using quantum models as aggregators. We integrate inductive representation learning techniques with parameterized quantum convolutional and pooling layers, bridging classical and quantum paradigms. The convolutional layer is flexible, allowing tailored designs for specific tasks. Benchmarked on a node regression task with the QM9 dataset, our framework, using a single minimal circuit for all aggregation steps, handles molecules with varying numbers of atoms without changing qubits or circuit architecture. While classical GNNs achieve higher training performance, our quantum approach remains competitive and often shows stronger generalization as molecular complexity increases. We also observe faster learning in early training epochs. To mitigate trainability limitations of a single-circuit setup, we extend the framework with multiple quantum aggregators on QM9. Assigning distinct circuits to each hop substantially improves training performance across all cases. Additionally, we numerically demonstrate the absence of barren plateaus as qubit numbers increase, suggesting that the proposed model can scale to larger, more complex graph-based problems.
Authors: Feng Chen, Dror Ben-Zeev, Gillian Sparks, Arya Kadakia, Trevor Cohen
Abstract: Post-Traumatic Stress Disorder (PTSD) remains underdiagnosed in clinical settings, presenting opportunities for automated detection to identify patients. This study evaluates natural language processing approaches for detecting PTSD from clinical interview transcripts. We compared general and mental health-specific transformer models (BERT/RoBERTa), embedding-based methods (SentenceBERT/LLaMA), and large language model prompting strategies (zero-shot/few-shot/chain-of-thought) using the DAIC-WOZ dataset. Domain-specific end-to-end models significantly outperformed general models (Mental-RoBERTa AUPRC=0.675+/-0.084 vs. RoBERTa-base 0.599+/-0.145). SentenceBERT embeddings with neural networks achieved the highest overall performance (AUPRC=0.758+/-0.128). Few-shot prompting using DSM-5 criteria yielded competitive results with two examples (AUPRC=0.737). Performance varied significantly across symptom severity and comorbidity status with depression, with higher accuracy for severe PTSD cases and patients with comorbid depression. Our findings highlight the potential of domain-adapted embeddings and LLMs for scalable screening while underscoring the need for improved detection of nuanced presentations and offering insights for developing clinically viable AI tools for PTSD assessment.
Authors: Chenhao Li, Andreas Krause, Marco Hutter
Abstract: Reinforcement Learning (RL) has achieved impressive results in robotics, yet high-performing pipelines remain highly task-specific, with little reuse of prior data. Offline Model-based RL (MBRL) offers greater data efficiency by training policies entirely from existing datasets, but suffers from compounding errors and distribution shift in long-horizon rollouts. Although existing methods have shown success in controlled simulation benchmarks, robustly applying them to the noisy, biased, and partially observed datasets typical of real-world robotics remains challenging. We present a principled pipeline for making offline MBRL effective on physical robots. Our RWM-U extends autoregressive world models with epistemic uncertainty estimation, enabling temporally consistent multi-step rollouts with uncertainty effectively propagated over long horizons. We combine RWM-U with MOPO-PPO, which adapts uncertainty-penalized policy optimization to the stable, on-policy PPO framework for real-world control. We evaluate our approach on diverse manipulation and locomotion tasks in simulation and on real quadruped and humanoid, training policies entirely from offline datasets. The resulting policies consistently outperform model-free and uncertainty-unaware model-based baselines, and fusing real-world data in model learning further yields robust policies that surpass online model-free baselines trained solely in simulation.
Authors: Hongbin Zhong, Matthew Lentz, Nina Narodytska, Adriana Szekeres, Kexin Rong
Abstract: Enterprise deployments of vector databases require access control policies to protect sensitive data. These systems often implement access control through hybrid vector queries that combine nearest-neighbor search with relational predicates based on user permissions. However, existing approaches face a fundamental trade-off: dedicated per-user indexes minimize query latency but incur high memory redundancy, while shared indexes with post-search filtering reduce memory overhead at the cost of increased latency. This paper introduces HONEYBEE, a dynamic partitioning framework that leverages the structure of Role-Based Access Control (RBAC) policies to create a smooth trade-off between these extremes. RBAC policies organize users into roles and assign permissions at the role level, creating a natural ``thin waist`` in the permission structure that is ideal for partitioning decisions. Specifically, HONEYBEE produces overlapping partitions where vectors can be strategically replicated across different partitions to reduce query latency while controlling memory overhead. To guide these decisions, HONEYBEE develops analytical models of vector search performance and recall, and formulates partitioning as a constrained optimization problem that balances memory usage, query efficiency, and recall. Evaluations on RBAC workloads demonstrate that HONEYBEE achieves up to 13.5X lower query latency than row-level security with only a 1.24X increase in memory usage, while achieving comparable query performance to dedicated, per-role indexes with 90.4% reduction in additional memory consumption, offering a practical middle ground for secure and efficient vector search.
Authors: Xiwen Chen, Wenhui Zhu, Peijie Qiu, Xuanzhao Dong, Hao Wang, Haiyu Wu, Huayu Li, Aristeidis Sotiras, Yalin Wang, Abolfazl Razi
Abstract: Post-training LLMs with Reinforcement Learning, specifically Group Relative Policy Optimization (GRPO), has emerged as a paradigm for enhancing mathematical reasoning. However, standard GRPO relies on scalar correctness rewards that are often non-injective with respect to semantic content: distinct reasoning paths receive identical rewards. This leads to a Diversity-Quality Inconsistency, where the policy collapses into a narrow set of dominant modes while ignoring equally valid but structurally novel strategies. To bridge this gap, we propose Diversity-aware Reward Adjustment (DRA), a theoretically grounded framework that calibrates the reward signal using the semantic density of sampled groups. By leveraging Submodular Mutual Information (SMI), DRA implements an Inverse Propensity Scoring (IPS) mechanism that effectively de-biases the gradient estimation. This creates a repulsive force against redundancy, driving the policy to achieve better coverage of the high-reward landscape. Our method is plug-and-play and integrates seamlessly with GRPO variants. Empirical evaluations on five math benchmarks demonstrate that DRA-GRPO consistently outperforms strong baselines, achieving an average accuracy of 58.2% on DeepSeek-R1-Distill-Qwen-1.5B with only 7,000 training samples and $55 cost, highlighting the critical role of diversity calibration in data-efficient alignment.
Authors: Zhaoyuan Su, Zeyu Zhang, Tingfeng Lan, Zirui Wang, Haiying Shen, Juncheng Yang, Yue Cheng
Abstract: Efficiently serving large language models (LLMs) under dynamic and bursty workloads remains a key challenge for real-world deployment. Existing serving frameworks and static model compression techniques fail to adapt to workload fluctuations, leading to either service-level objective (SLO) violations under full-precision serving or persistent accuracy degradation with static quantization. We present MorphServe, a dynamic, workload-aware LLM serving framework based on morphological adaptation. MorphServe introduces two asynchronous, token-level runtime mechanisms: quantized layer swapping, which selectively replaces less impactful layers with quantized alternatives during high-load periods, and pressure-aware KV cache resizing, which dynamically adjusts KV cache capacity in response to memory pressure. These mechanisms enable state-preserving transitions with minimum runtime overhead and are fully compatible with modern scheduling and attention techniques. Extensive experiments on Vicuna and Llama family models with real-world workloads demonstrate that MorphServe reduces average SLO violations by 92.45 percent and improves the P95 TTFT latency by 2.2x-3.9x compared to full-precision serving, without compromising generation quality. These results establish MorphServe as a practical and elastic solution for LLM deployment in dynamic environments.
Authors: Yang Wang, Yin Xu, Cixiao Zhang, Zhiyong Chen, Mingzeng Dai, Haiming Wang, Bingchao Liu, Dazhi He, Meixia Tao
Abstract: Reconfigurable intelligent surface (RIS) has been recognized as a promising technology for next-generation wireless communications. However, the performance of RIS-assisted systems critically depends on accurate channel state information (CSI). To address this challenge, this letter proposes a novel channel estimation method for RIS-aided millimeter-wave (mmWave) systems based on diffusion models (DMs). Specifically, the forward diffusion process of the original signal is formulated to model the received signal as a noisy observation within the framework of DMs. Subsequently, the channel estimation task is formulated as the reverse diffusion process, and a sampling algorithm based on denoising diffusion implicit models (DDIMs) is developed to enable effective inference. Furthermore, a lightweight neural network, termed BRCNet, is introduced to replace the conventional U-Net, significantly reducing the number of parameters and computational complexity. Extensive experiments conducted under various scenarios demonstrate that the proposed method consistently outperforms existing baselines.
Authors: Hongyu Wang, Jiayu Xu, Ruiping Wang, Yan Feng, Yitao Zhai, Peng Pei, Xunliang Cai, Xilin Chen
Abstract: Large multimodal Mixture-of-Experts (MoEs) effectively scale the model size to boost performance while maintaining fixed active parameters. However, previous works primarily utilized full-precision experts during sparse up-cycling. Despite they show superior performance on end tasks, the large amount of experts introduces higher memory footprint, which poses significant challenges for the deployment on edge devices. In this work, we propose MoTE, a scalable and memory-efficient approach to train Mixture-of-Ternary-Experts models from dense checkpoint. Instead of training fewer high-precision experts, we propose to train more low-precision experts during up-cycling. Specifically, we use the pre-trained FFN as a shared expert and train ternary routed experts with parameters in {-1, 0, 1}. Extensive experiments show that our approach has promising scaling trend along model size. MoTE achieves comparable performance to full-precision baseline MoE-LLaVA while offering lower memory footprint. Furthermore, our approach is compatible with post-training quantization methods and the advantage further amplifies when memory-constraint goes lower. Given the same amount of expert memory footprint of 3.4GB and combined with post-training quantization, MoTE outperforms MoE-LLaVA by a gain of 4.3% average accuracy on end tasks, demonstrating its effectiveness and potential for memory-constrained devices.
Authors: Takuya Inoue (Meteorological Research Institute, Tsukuba, Japan), Takuya Kawabata (Meteorological Research Institute, Tsukuba, Japan)
Abstract: In this study, a method that integrates convolutional neural networks (CNNs) with ensemble numerical weather prediction (NWP) models is proposed. This method enables surface temperature forecasting with lead times beyond the short-range, extending up to five days. Due to limited computational resources, operational medium-range temperature forecasts typically rely on low-resolution NWP models, which are prone to systematic and random errors. To resolve these limitations, the proposed method applies CNN-based post-processing (bias correction and spatial super-resolution) to an ensemble NWP system. First, the post-processing is applied to each ensemble member to reduce systematic errors and reconstruct high-resolution temperature fields from low-resolution model outputs. This approach reduces the systematic and random errors in NWP model outputs and outperforms operational post-processing. Second, the CNN is applied to all ensemble members to construct a new ensemble forecasting system, in which deterministic forecast accuracy, probabilistic reliability, and representation of ensemble spread are improved compared with those of the original system. We demonstrate that this CNN-based post-processing is fundamentally different from the artificial error reduction caused by smoothing inherent in ensemble averaging because the post-processing reduces forecast errors without degrading the forecast information. These results indicate that the proposed method provides a practical and scalable solution for improving medium-range temperature forecasts and is particularly valuable for use in operational centers with limited computational resources.
Authors: Chenxi Zhou, Pengfei Cao, Jiang Li, Bohan Yu, Jinyu Ye, Jun Zhao, Kang Liu
Abstract: Post-Training Quantization (PTQ) is a critical strategy for efficient Large Language Models (LLMs) deployment. However, existing scaling laws primarily focus on general performance, overlooking crucial fine-grained factors and how quantization differentially impacts diverse knowledge capabilities. To address this, we establish Task-Stratified Knowledge Scaling Laws. By stratifying capabilities into memorization, application, and reasoning, we develop a framework that unifies model size, bit-width, and fine-grained factors: group size and calibration set size. Validated on 293 diverse PTQ configurations, our framework demonstrates strong fit and cross-architecture consistency. It reveals distinct sensitivities across knowledge capabilities: reasoning is precision-critical, application is scale-responsive, and memorization is calibration-sensitive. We highlight that in low-bit scenarios, optimizing these fine-grained factors is essential for preventing performance collapse. These findings provide an empirically-backed foundation for designing knowledge-aware quantization strategies.
Authors: Junu Kim, Xiao Liu, Zhenghao Lin, Lei Ji, Yeyun Gong, Edward Choi
Abstract: Causal self-attention provides positional information to Transformer decoders. Prior work has shown that stacks of causal self-attention layers alone induce a positional bias in attention scores toward earlier tokens. However, this differs from the bias toward later tokens typically observed in Transformer decoders, known as recency bias. We address this discrepancy by analyzing the interaction between causal self-attention and other architectural components. We show that stacked causal self-attention layers combined with LayerNorm induce recency bias. Furthermore, we examine the effects of residual connections and the distribution of input token embeddings on this bias. Our results provide new theoretical insights into how positional information interacts with architectural components and suggest directions for improving positional encoding strategies.
Authors: Nhat M. Hoang, Do Xuan Long, Cong-Duy Nguyen, Min-Yen Kan, Luu Anh Tuan
Abstract: State Space Models (SSMs) have recently emerged as efficient alternatives to Transformer-Based Models (TBMs) for long-sequence processing with linear scaling, yet how contextual information flows across layers in these architectures remains understudied. We present the first unified, token- and layer-wise analysis of representation propagation in SSMs and TBMs. Using centered kernel alignment, variance-based metrics, and probing, we characterize how representations evolve within and across layers. We find a key divergence: TBMs rapidly homogenize token representations, with diversity reemerging only in later layers, while SSMs preserve token uniqueness early but converge to homogenization deeper. Theoretical analysis and parameter randomization further reveal that oversmoothing in TBMs stems from architectural design, whereas in SSMs, it arises mainly from training dynamics. These insights clarify the inductive biases of both architectures and inform future model and training designs for long-context reasoning.
Authors: Tim Hagen, Niklas Deckers, Felix Wolter, Harrisen Scells, Martin Potthast
Abstract: Many causal claims, such as "sugar causes hyperactivity," are disputed or outdated. Yet research on causality extraction from text has almost entirely neglected counterclaims of causation. To close this gap, we conduct a thorough literature review of causality extraction, compile an extensive inventory of linguistic realizations of countercausal claims, and develop rigorous annotation guidelines that explicitly incorporate countercausal language. We also highlight how counterclaims of causation are an integral part of causal reasoning. Based on our guidelines, we construct a new dataset comprising 1028 causal claims, 952 counterclaims, and 1435 uncausal statements, achieving substantial inter-annotator agreement (Cohen's $\kappa = 0.74$). In our experiments, state-of-the-art models trained solely on causal claims misclassify counterclaims more than 10 times as often as models trained on our dataset.
Authors: Heming Xia, Cunxiao Du, Rui Li, Chak Tou Leong, Yongqi Li, Wenjie Li
Abstract: Large reasoning models (LRMs) have demonstrated remarkable proficiency in tackling complex tasks through step-by-step thinking. However, this lengthy reasoning process incurs substantial computational and latency overheads, hindering the practical deployment of LRMs. This work presents a new approach to mitigating overthinking in LRMs via black-box persuasive prompting. By treating LRMs as black-box communicators, we investigate how to persuade them to generate concise responses without compromising accuracy. We introduce Whisper, an iterative refinement framework that generates high-quality persuasive prompts from diverse perspectives. Experiments across multiple benchmarks demonstrate that Whisper consistently reduces token usage while preserving performance. Notably, Whisper achieves a 3x reduction in average response length on simple GSM8K questions for the Qwen3 model series and delivers an average ~40% token reduction across all benchmarks. For closed-source APIs, Whisper reduces token usage on MATH-500 by 46% for Claude-3.7 and 50% for Gemini-2.5. Further analysis reveals the broad applicability of Whisper across data domains, model scales, and families, underscoring the potential of black-box persuasive prompting as a practical strategy for enhancing LRM efficiency.
Authors: NVIDIA, :, Yan Wang, Wenjie Luo, Junjie Bai, Yulong Cao, Tong Che, Ke Chen, Yuxiao Chen, Jenna Diamond, Yifan Ding, Wenhao Ding, Liang Feng, Greg Heinrich, Jack Huang, Peter Karkus, Boyi Li, Pinyi Li, Tsung-Yi Lin, Dongran Liu, Ming-Yu Liu, Langechuan Liu, Zhijian Liu, Jason Lu, Yunxiang Mao, Pavlo Molchanov, Lindsey Pavao, Zhenghao Peng, Mike Ranzinger, Ed Schmerling, Shida Shen, Yunfei Shi, Sarah Tariq, Ran Tian, Tilman Wekel, Xinshuo Weng, Tianjun Xiao, Eric Yang, Xiaodong Yang, Yurong You, Xiaohui Zeng, Wenyuan Zhang, Boris Ivanovic, Marco Pavone
Abstract: End-to-end architectures trained via imitation learning have advanced autonomous driving by scaling model size and data, yet performance remains brittle in safety-critical long-tail scenarios where supervision is sparse and causal understanding is limited. We introduce Alpamayo-R1 (AR1), a vision-language-action model (VLA) that integrates Chain of Causation reasoning with trajectory planning for complex driving scenarios. Our approach features three key innovations: (1) the Chain of Causation (CoC) dataset, built through a hybrid auto-labeling and human-in-the-loop pipeline producing decision-grounded, causally linked reasoning traces aligned with driving behaviors; (2) a modular VLA architecture combining Cosmos-Reason, a vision-language model pre-trained for Physical AI, with a diffusion-based trajectory decoder that generates dynamically feasible trajectories in real time; (3) a multi-stage training strategy using supervised fine-tuning to elicit reasoning and reinforcement learning (RL) to enforce reasoning-action consistency and optimize reasoning quality. AR1 achieves up to a 12% improvement in planning accuracy on challenging cases compared to a trajectory-only baseline, with a 35% reduction in close encounter rate in closed-loop simulation. RL post-training improves reasoning quality by 45% and reasoning-action consistency by 37%. Model scaling from 0.5B to 7B parameters shows consistent improvements. On-vehicle road tests confirm real-time performance (99 ms latency) and successful urban deployment. By bridging interpretable reasoning with precise control, AR1 demonstrates a practical path towards Level 4 autonomous driving. Model weights are available at https://huggingface.co/nvidia/Alpamayo-R1-10B with inference code at https://github.com/NVlabs/alpamayo.
URLs: https://huggingface.co/nvidia/Alpamayo-R1-10B, https://github.com/NVlabs/alpamayo.
Authors: Ayesha Gull, Muhammad Usman Safder, Rania Elbadry, Fan Zhang, Veselin Stoyanov, Preslav Nakov, Zhuohan Xie
Abstract: Large Language Models (LLMs) are increasingly entering specialized, safety-critical engineering workflows governed by strict quantitative standards and immutable physical laws, making rigorous evaluation of their reasoning capabilities imperative. However, existing benchmarks such as MMLU, MATH, and HumanEval assess isolated cognitive skills, failing to capture the physically grounded reasoning central to engineering, where scientific principles, quantitative modeling, and practical constraints must converge. To enable verifiable process supervision in engineering, we introduce EngTrace, a symbolic benchmark comprising 90 templates across three major engineering branches, nine core domains and 20 distinct areas. Through domain-aware parameterization, we generate 1,350 unique, contamination-resistant test cases to stress-test generalization. Moving beyond outcome matching, we introduce a verifiable two-stage evaluation framework that uses a tiered protocol to validate intermediate reasoning traces alongside final answers through automated procedural checks and a heterogeneous AI Tribunal. Our evaluation of 24 leading LLMs reveals a distinct trade-off between numeric precision and trace fidelity, identifying a complexity cliff where abstract mathematical pre-training fails to translate into the integrative reasoning required for advanced engineering tasks.
Authors: Peichun Hua, Hao Li, Shanghao Shi, Zhiyuan Yu, Ning Zhang
Abstract: Large Vision-Language Models (LVLMs) are vulnerable to a growing array of multimodal jailbreak attacks, necessitating defenses that are both generalizable to novel threats and efficient for practical deployment. Many current strategies fall short, either targeting specific attack patterns, which limits generalization, or imposing high computational overhead. While lightweight anomaly-detection methods offer a promising direction, we find that their common one-class design tends to confuse novel benign inputs with malicious ones, leading to unreliable over-rejection. To address this, we propose Representational Contrastive Scoring (RCS), a framework built on a key insight: the most potent safety signals reside within the LVLM's own internal representations. Our approach inspects the internal geometry of these representations, learning a lightweight projection to maximally separate benign and malicious inputs in safety-critical layers. This enables a simple yet powerful contrastive score that differentiates true malicious intent from mere novelty. Our instantiations, MCD (Mahalanobis Contrastive Detection) and KCD (K-nearest Contrastive Detection), achieve state-of-the-art performance on a challenging evaluation protocol designed to test generalization to unseen attack types. This work demonstrates that effective jailbreak detection can be achieved by applying simple, interpretable statistical methods to the appropriate internal representations, offering a practical path towards safer LVLM deployment. Our code is available on Github https://github.com/sarendis56/Jailbreak_Detection_RCS.
URLs: https://github.com/sarendis56/Jailbreak_Detection_RCS.
Authors: Chao Gao, Liren Shan, Vaidehi Srinivas, Aravindan Vijayaraghavan
Abstract: We study the problem of finding confidence ellipsoids for an arbitrary distribution in high dimensions. Given samples from a distribution $\mathcal{D}$ and a confidence parameter $\alpha$, the goal is to find the smallest volume ellipsoid $E$ which has probability mass $\Pr_{\mathcal{D}}[E] \ge 1-\alpha$. Ellipsoids are a highly expressive class of confidence sets as they can capture correlations in the distribution, and can approximate any convex set. This problem has been studied in many different communities. In statistics, this is the classic minimum volume estimator introduced by Rousseeuw as a robust non-parametric estimator of location and scatter. However in high dimensions, it becomes NP-hard to obtain any non-trivial approximation factor in volume when the condition number $\beta$ of the ellipsoid (ratio of the largest to the smallest axis length) goes to $\infty$. This motivates the focus of our paper: can we efficiently find confidence ellipsoids with volume approximation guarantees when compared to ellipsoids of bounded condition number $\beta$? Our main result is a polynomial time algorithm that finds an ellipsoid $E$ whose volume is within a $O(\beta)^{\gamma d}$ multiplicative factor of the volume of best $\beta$-conditioned ellipsoid while covering at least $1-O(\alpha/\gamma)$ probability mass for any $\gamma \in (0,1)$. We complement this with a computational hardness result that shows that such a dependence seems necessary up to constants in the exponent. The algorithm and analysis uses the rich primal-dual structure of the minimum volume enclosing ellipsoid and the geometric Brascamp-Lieb inequality. As a consequence, we obtain the first polynomial time algorithm with approximation guarantees on worst-case instances of the robust subspace recovery problem.
Authors: Bing Cheng, Howell Tong
Abstract: Being infinite dimensional, non-parametric information geometry has long faced an "intractability barrier" due to the fact that the Fisher-Rao metric is now a functional incurring difficulties in defining its inverse. This paper introduces a novel framework to resolve the intractability with an Orthogonal Decomposition of the Tangent Space ($T_fM = S \oplus S^{\perp}$), where $S$ represents an observable covariate subspace. Through the decomposition, we derive the Covariate Fisher Information Matrix (cFIM), denoted as ${\bf G}_f$, which is a finite-dimensional and computable representative of information extractable from the manifold's geometry. Significantly, by proving the Trace Theorem: $H_G(f) = \text{Tr}({\bf G}_f)$, we establish a rigorous foundation for the G-entropy previously introduced by us, thereby identifying it as a fundamental geometric invariant representing the total explainable statistical information captured by the probability distribution associated with a model. Furthermore, we establish a link between ${\bf G}_f$ and the second derivative (i.e. the curvature) of the KL-divergence, leading to the notion of Covariate Cram\'er-Rao Lower Bound(CRLB). We demonstrate that ${\bf G}_f$ is congruent to the Efficient Fisher Information Matrix, thereby providing fundamental limits of variance for semi-parametric estimators. Finally, we apply our geometric framework to the Manifold Hypothesis, lifting the latter from a heuristic assumption into a testable condition of rank-deficiency within the cFIM. By defining the Information Capture Ratio, we provide a rigorous method for estimating intrinsic dimensionality in high-dimensional data. In short, our work bridges the gap between abstract information geometry and the demand of explainable AI, by providing a tractable path for assessing the statistical coverage and the efficiency of non-parametric models.
Authors: Yiquan Gao, John See
Abstract: By contrast with the prevailing works of low-light enhancement in natural images and videos, this study copes with the low-illumination quality degradation in anime scenery images to bridge the domain gap. For such an underexplored enhancement task, we first curate images from various sources and construct an unpaired anime scenery dataset with diverse environments and illumination conditions to address the data scarcity. To exploit the power of uncertainty information inherent with the diverse illumination conditions, we propose a Data Relativistic Uncertainty (DRU) framework, motivated by the idea from Relativistic GAN. By analogy with the wave-particle duality of light, our framework interpretably defines and quantifies the illumination uncertainty of dark/bright samples, which is leveraged to dynamically adjust the objective functions to recalibrate the model learning under data uncertainty. Extensive experiments demonstrate the effectiveness of DRU framework by training several versions of EnlightenGANs, yielding superior perceptual and aesthetic qualities beyond the state-of-the-art methods that are incapable of learning from data uncertainty perspective. We hope our framework can expose a novel paradigm of data-centric learning for potential visual and language domains. Code is available.
Authors: Vesal Ahsani, Babak Hossein Khalaj, Hamed Shah-Mansouri
Abstract: In-cabin driver monitoring systems (DMS) must recognize distraction- and drowsiness-related behaviors with low latency under strict constraints on compute, power, and cost. We present a single-camera in-cabin driver behavior recognition system designed for deployment on two low-cost edge platforms: Raspberry Pi 5 (CPU-only) and the Google Coral development board with an Edge Tensor Processing Unit (Edge TPU) accelerator. The proposed pipeline combines (i) a compact per-frame vision model, (ii) a confounder-aware label taxonomy to reduce confusions among visually similar behaviors, and (iii) a temporal decision head that triggers alerts only when predictions are both confident and sustained. The system supports 17 behavior classes. Training and evaluation use licensed datasets plus in-house collection (over 800,000 labeled frames) with driver-disjoint splits, and we further validate the deployed system in live in-vehicle tests. End-to-end performance reaches approximately 16 FPS on Raspberry Pi 5 using 8-bit integer (INT8) inference (per-frame latency <60 ms) and approximately 25 FPS on Coral Edge TPU (end-to-end latency ~40 ms), enabling real-time monitoring and stable alert generation on embedded hardware. Finally, we discuss how reliable in-cabin perception can serve as an upstream signal for human-centered vehicle intelligence, including emerging agentic vehicle concepts.
Authors: Jisoo Lee, Sunki Hong
Abstract: Accurate grid load forecasting is safety-critical: under-predictions risk supply shortfalls, while symmetric error metrics mask this operational asymmetry. We introduce a grid-specific evaluation framework (Asymmetric MAPE, Under-Prediction Rate, and Reserve Margin) that directly measures operational risk rather than statistical accuracy alone. Using this framework, we conduct a systematic evaluation of Mamba-based State Space Models for California grid forecasting on a weather-aligned CA ISO-TAC dataset spanning Nov 2023 to Nov 2025 (84,498 hourly records across 5 transmission areas). Our analysis reveals that standard accuracy metrics are poor proxies for operational safety: models with identical MAPE can require vastly different reserve margins. We demonstrate that forecast errors are weakly but statistically significantly associated with temperature (r = 0.16), motivating weather-aware modeling rather than loss function modification alone. The S-Mamba model achieves the lowest 99.5th-percentile reserve margin (14.12 percent) compared to 16.66 percent for iTransformer, demonstrating superior forecast reliability under a 99.5th-percentile tail-risk reserve proxy.
Authors: Zhuofan Shi, Hubao A, Yufei Shao, Dongliang Huang, Hongxu An, Chunxiao Xin, Haiyang Shen, Zhenyu Wang, Yunshan Na, Gang Huang, Xiang Jing
Abstract: Molecular dynamics (MD) simulations are essential for understanding atomic-scale behaviors in materials science, yet writing LAMMPS scripts remains highly specialized and time-consuming tasks. Although LLMs show promise in code generation and domain-specific question answering, their performance in MD scenarios is limited by scarce domain data, the high deployment cost of state-of-the-art LLMs, and low code executability. Building upon our prior MDAgent, we present MDAgent2, the first end-to-end framework capable of performing both knowledge Q&A and code generation within the MD domain. We construct a domain-specific data-construction pipeline that yields three high-quality datasets spanning MD knowledge, question answering, and code generation. Based on these datasets, we adopt a three stage post-training strategy--continued pre-training (CPT), supervised fine-tuning (SFT), and reinforcement learning (RL)--to train two domain-adapted models, MD-Instruct and MD-Code. Furthermore, we introduce MD-GRPO, a closed-loop RL method that leverages simulation outcomes as reward signals and recycles low-reward trajectories for continual refinement. We further build MDAgent2-RUNTIME, a deployable multi-agent system that integrates code generation, execution, evaluation, and self-correction. Together with MD-EvalBench proposed in this work, the first benchmark for LAMMPS code generation and question answering, our models and system achieve performance surpassing several strong baselines.This work systematically demonstrates the adaptability and generalization capability of large language models in industrial simulation tasks, laying a methodological foundation for automatic code generation in AI for Science and industrial-scale simulations. URL: https://github.com/FredericVAN/PKU_MDAgent2
Authors: Kuo Wang (Southern Methodist University), Haowei Hua (Princeton University), Pengfei Yan (University of Maryland), Hong Jiao (University of Maryland), Dan Song (University of Iowa)
Abstract: Long context may impose challenges for encoder-only language models in text processing, specifically for automated scoring of essays. This study trained several commonly used encoder-based language models for automated scoring of long essays. The performance of these trained models was evaluated and compared with the ensemble models built upon the base language models with a token limit of 512?. The experimented models include BERT-based models (BERT, RoBERTa, DistilBERT, and DeBERTa), ensemble models integrating embeddings from multiple encoder models, and ensemble models of feature-based supervised machine learning models, including Gradient-Boosted Decision Trees, eXtreme Gradient Boosting, and Light Gradient Boosting Machine. We trained, validated, and tested each model on a dataset of 17,307 essays, with an 80%/10%/10% split, and evaluated model performance using Quadratic Weighted Kappa. This study revealed that an ensemble-of-embeddings model that combines multiple pre-trained language model representations with gradient-boosting classifier as the ensemble model significantly outperforms individual language models at scoring long essays.
Authors: Masum Hasan, Junjie Zhao, Ehsan Hoque
Abstract: Conversational human-likeness plays a central role in human-AI interaction, yet it has remained difficult to define, measure, and optimize. As a result, improvements in human-like behavior are largely driven by scale or broad supervised training, rather than targeted alignment. We introduce Human Aligning LLMs (HAL), a framework for aligning language models to conversational human-likeness using an interpretable, data-driven reward. HAL derives explicit conversational traits from contrastive dialogue data, combines them into a compact scalar score, and uses this score as a transparent reward signal for alignment with standard preference optimization methods. Using this approach, we align models of varying sizes without affecting their overall performance. In large-scale human evaluations, models aligned with HAL are more frequently perceived as human-like in conversation. Because HAL operates over explicit, interpretable traits, it enables inspection of alignment behavior and diagnosis of unintended effects. More broadly, HAL demonstrates how soft, qualitative properties of language--previously outside the scope for alignment--can be made measurable and aligned in an interpretable and explainable way.