Authors: Jialin Lu, Kye Emond, Kaiyu Yang, Swarat Chaudhuri, Weiran Sun, Wuyang Chen
Abstract: We present Lean Finder, a semantic search engine for Lean and mathlib that understands and aligns with the intents of mathematicians. Progress in formal theorem proving is often hindered by the difficulty of locating relevant theorems and the steep learning curve of the Lean 4 language, making advancement slow and labor-intensive. Existing Lean search engines, though helpful, rely primarily on informalizations (natural language translation of the formal statements), while largely overlooking the mismatch with real-world user queries. In contrast, we propose a user-centered semantic search tailored to the needs of mathematicians. Our approach begins by analyzing and clustering the semantics of public Lean discussions, then fine-tuning text embeddings on synthesized queries that emulate user intents. We further align Lean Finder with mathematicians' preferences using diverse feedback signals, encoding it with a rich awareness of their goals from multiple perspectives. Evaluations on real-world queries, informalized statements, and proof states demonstrate that our Lean Finder achieves over $30\%$ relative improvement compared to previous search engines and GPT-4o. In addition, Lean Finder is compatible with LLM-based theorem provers, bridging retrieval with formal reasoning. Lean Finder is available at: https://leanfinder.github.io
Authors: Tianyu Bell Pan, Mengdi Zhu, Alexa Jordyn Cole, Ronald Wilson, Damon L. Woodard
Abstract: Multimodal learning systems often struggle in non-stationary environments due to concept drift, where changing data distributions can degrade performance. Modality-specific drifts and the lack of mechanisms for continuous, stable adaptation compound this challenge. This paper introduces LS-OGD, a novel adaptive control framework for robust multimodal learning in the presence of concept drift. LS-OGD uses an online controller that dynamically adjusts the model's learning rate and the fusion weights between different data modalities in response to detected drift and evolving prediction errors. We prove that under bounded drift conditions, the LS-OGD system's prediction error is uniformly ultimately bounded and converges to zero if the drift ceases. Additionally, we demonstrate that the adaptive fusion strategy effectively isolates and mitigates the impact of severe modality-specific drift, thereby ensuring system resilience and fault tolerance. These theoretical guarantees establish a principled foundation for developing reliable and continuously adapting multimodal learning systems.
Authors: Guangya Wan, Zixin Stephen Xu, Sasa Zorc, Manel Baucells, Mengxuan Hu, Hao Wang, Sheng Li
Abstract: Sampling multiple responses is a common way to improve LLM output quality, but it comes at the cost of additional computation. The key challenge is deciding when to stop generating new samples to balance accuracy gains against efficiency. To address this, we introduce BEACON (Bayesian Efficient Adaptive Criterion for Optimal N-stopping), a principled adaptive sampling framework grounded in Sequential Search with Bayesian Learning. BEACON sequentially generates responses from the policy LLM, updates posterior belief over reward distributions in real time without further training, and determines when to stop by weighing expected gains against computational cost. Sampling terminates once the marginal utility of further exploration no longer justifies the expense. We establish both theoretical optimality guarantees and practical tractability, and show empirically that BEACON reduces average sampling by up to 80% while maintaining response quality. We further demonstrate BEACON's utility for cost-efficient preference data generation and outline practical extensions, offering actionable insights for future researchers.
Authors: Wenshuo Wang, Ziyou Jiang, Junjie Wang, Mingyang Li, Jie Huang, Yuekai Huang, Zhiyuan Chang, Feiyan Duan, Qing Wang
Abstract: Internet memes have emerged as a popular multimodal medium, yet they are increasingly weaponized to convey harmful opinions through subtle rhetorical devices like irony and metaphor. Existing detection approaches, including MLLM-based techniques, struggle with these implicit expressions, leading to frequent misjudgments. This paper introduces PatMD, a novel approach that improves harmful meme detection by learning from and proactively mitigating these potential misjudgment risks. Our core idea is to move beyond superficial content-level matching and instead identify the underlying misjudgment risk patterns, proactively guiding the MLLMs to avoid known misjudgment pitfalls. We first construct a knowledge base where each meme is deconstructed into a misjudgment risk pattern explaining why it might be misjudged, either overlooking harmful undertones (false negative) or overinterpreting benign content (false positive). For a given target meme, PatMD retrieves relevant patterns and utilizes them to dynamically guide the MLLM's reasoning. Experiments on a benchmark of 6,626 memes across 5 harmful detection tasks show that PatMD outperforms state-of-the-art baselines, achieving an average of 8.30\% improvement in F1-score and 7.71\% improvement in accuracy, demonstrating strong generalizability and improved detection capability of harmful memes.
Authors: Casper van Laar, Khubaib Ahmed
Abstract: This study introduces a WaveNet-based deep learning model designed to automate the classification of EEG signals into physiological, pathological, artifact, and noise categories. Traditional methods for EEG signal classification, which rely on expert visual review, are becoming increasingly impractical due to the growing complexity and volume of EEG recordings. Leveraging a publicly available annotated dataset from Mayo Clinic and St. Anne's University Hospital, the WaveNet model was trained, validated, and tested on 209,232 samples with a 70/20/10 percent split. The model achieved a classification accuracy exceeding previous CNN and LSTM-based approaches, and was benchmarked against a Temporal Convolutional Network (TCN) baseline. Notably, the model distinguishes noise and artifacts with high precision, although it reveals a modest but explainable degree of misclassification between physiological and pathological signals, reflecting inherent clinical overlap. WaveNet's architecture, originally developed for raw audio synthesis, is well suited for EEG data due to its use of dilated causal convolutions and residual connections, enabling it to capture both fine-grained and long-range temporal dependencies. The research also details the preprocessing pipeline, including dynamic dataset partitioning and normalization steps that support model generalization.
Authors: Arianna Francesconi, Donato Cappetta, Fabio Rebecchi, Paolo Soda, Valerio Guarrasi, Rosa Sicilia
Abstract: Parkinson's disease (PD) presents a growing global challenge, affecting over 10 million individuals, with prevalence expected to double by 2040. Early diagnosis remains difficult due to the late emergence of motor symptoms and limitations of traditional clinical assessments. In this study, we propose a novel pipeline that leverages keystroke dynamics as a non-invasive and scalable biomarker for remote PD screening and telemonitoring. Our methodology involves three main stages: (i) preprocessing of data from four distinct datasets, extracting four temporal signals and addressing class imbalance through the comparison of three methods; (ii) pre-training eight state-of-the-art deep-learning architectures on the two largest datasets, optimizing temporal windowing, stride, and other hyperparameters; (iii) fine-tuning on an intermediate-sized dataset and performing external validation on a fourth, independent cohort. Our results demonstrate that hybrid convolutional-recurrent and transformer-based models achieve strong external validation performance, with AUC-ROC scores exceeding 90% and F1-Score over 70%. Notably, a temporal convolutional model attains an AUC-ROC of 91.14% in external validation, outperforming existing methods that rely solely on internal validation. These findings underscore the potential of keystroke dynamics as a reliable digital biomarker for PD, offering a promising avenue for early detection and continuous monitoring.
Authors: Hongzheng Shi, Yuhang Wang, Xiao Liu
Abstract: As wildfires become increasingly destructive and expensive to control, effective management of active wildfires requires accurate, real-time fire spread predictions. To enhance the forecasting accuracy of active fires, data assimilation plays a vital role by integrating observations (such as remote-sensing data) and fire predictions generated from numerical models. This paper provides a comprehensive investigation on the application of a recently proposed diffusion-model-based filtering algorithm -- the Ensemble Score Filter (EnSF) -- to the data assimilation problem for real-time active wildfire spread predictions. Leveraging a score-based generative diffusion model, EnSF has been shown to have superior accuracy for high-dimensional nonlinear filtering problems, making it an ideal candidate for the filtering problems of wildfire spread models. Technical details are provided, and our numerical investigations demonstrate that EnSF provides superior accuracy, stability, and computational efficiency, establishing it as a robust and practical method for wildfire data assimilation. Our code has been made publicly available.
Authors: Kiran Kate, Yara Rizk, Poulami Ghosh, Ashu Gulati, Tathagata Chakraborti, Zidane Wright, Mayank Agarwal
Abstract: Most realistic task automation problems require large language models (LLMs) to call tools, which often return complex JSON responses. These responses must be further processed to derive the information necessary for task completion. The ability of LLMs to do so is under-studied. In this paper, we study the tool response processing task and LLMs' abilities to process structured (JSON) responses. We created a dataset for this task, and evaluated 15 open and closed weight models using multiple prompting approaches. Our results show that JSON processing remains a difficult task even for frontier models across multiple prompting strategies. The optimal response processing strategy depends on both the nature and size of the tool outputs, as well as the complexity of the required reasoning. Variations in processing approaches can lead to performance differences ranging from 3\% to 50\%.
Authors: Sana Kordoghli, Abdelhakim Settar, Oumayma Belaati, Mohammad Alkhatib
Abstract: This work contributes to advancing sustainable energy and waste management strategies by investigating the thermochemical conversion of food-based biomass through pyrolysis, highlighting the role of artificial intelligence (AI) in enhancing process modelling accuracy and optimization efficiency. The main objective is to explore the potential of underutilized biomass resources, such as spent coffee grounds (SCG) and date seeds (DS), for sustainable hydrogen production. Specifically, it aims to optimize the pyrolysis process while evaluating the performance of these resources both individually and as blends. Proximate, ultimate, fibre, TGA/DTG, kinetic, thermodynamic, and Py-Micro GC analyses were conducted for pure DS, SCG, and blends (75% DS - 25% SCG, 50% DS - 50% SCG, 25% DS - 75% SCG). Blend 3 offered superior hydrogen yield potential but had the highest activation energy (Ea: 313.24 kJ/mol), while Blend 1 exhibited the best activation energy value (Ea: 161.75 kJ/mol). The kinetic modelling based on isoconversional methods (KAS, FWO, Friedman) identified KAS as the most accurate. These approaches provide a detailed understanding of the pyrolysis process, with particular emphasis on the integration of artificial intelligence. An LSTM model trained with lignocellulosic data predicted TGA curves with exceptional accuracy (R^2: 0.9996-0.9998).
Authors: Yiyang Li, Zehong Wang, Zhengqing Yuan, Zheyuan Zhang, Keerthiram Murugesan, Chuxu Zhang, Yanfang Ye
Abstract: Illicit drug use among teenagers and young adults (TYAs) remains a pressing public health concern, with rising prevalence and long-term impacts on health and well-being. To detect illicit drug use among TYAs, researchers analyze large-scale surveys such as the Youth Risk Behavior Survey (YRBS) and the National Survey on Drug Use and Health (NSDUH), which preserve rich demographic, psychological, and environmental factors related to substance use. However, existing modeling methods treat survey variables independently, overlooking latent and interconnected structures among them. To address this limitation, we propose LAMI (LAtent relation Mining with bi-modal Interpretability), a novel joint graph-language modeling framework for detecting illicit drug use and interpreting behavioral risk factors among TYAs. LAMI represents individual responses as relational graphs, learns latent connections through a specialized graph structure learning layer, and integrates a large language model to generate natural language explanations grounded in both graph structures and survey semantics. Experiments on the YRBS and NSDUH datasets show that LAMI outperforms competitive baselines in predictive accuracy. Interpretability analyses further demonstrate that LAMI reveals meaningful behavioral substructures and psychosocial pathways, such as family dynamics, peer influence, and school-related distress, that align with established risk factors for substance use.
Authors: Zhuxuanzi Wang, Mingqiao Mo, Xi Xiao, Chen Liu, Chenrui Ma, Yunbei Zhang, Xiao Wang, Smita Krishnaswamy, Tianyang Wang
Abstract: Parameter-efficient fine-tuning (PEFT) has become the standard approach for adapting large language models under limited compute and memory budgets. Although previous methods improve efficiency through low-rank updates, quantization, or heuristic budget reallocation, they often decouple the allocation of capacity from the way updates evolve during training. In this work, we introduce CTR-LoRA, a framework guided by curvature trust region that integrates rank scheduling with stability-aware optimization. CTR-LoRA allocates parameters based on marginal utility derived from lightweight second-order proxies and constrains updates using a Fisher/Hessian-metric trust region. Experiments on multiple open-source backbones (7B-13B), evaluated on both in-distribution and out-of-distribution benchmarks, show consistent improvements over strong PEFT baselines. In addition to increased accuracy, CTR-LoRA enhances training stability, reduces memory requirements, and achieves higher throughput, positioning it on the Pareto frontier of performance and efficiency. These results highlight a principled path toward more robust and deployable PEFT.
Authors: Tuowei Wang, Kun Li, Zixu Hao, Donglin Bai, Ju Ren, Yaoxue Zhang, Ting Cao, Mao Yang
Abstract: The adaptation of pre-trained large language models (LLMs) to diverse downstream tasks via fine-tuning is critical for numerous applications. However, the inefficiency of parameter-efficient fine-tuning (PEFT) techniques presents significant challenges in terms of time investments and operational costs. In this paper, we first introduce a nuanced form of sparsity, termed Shadowy Sparsity, which is distinctive in fine-tuning and has not been adequately addressed for acceleration. Under Shadowy Sparsity, we propose Long Exposure, an efficient system to accelerate PEFT for LLMs. Long Exposure comprises three key components: Shadowy-sparsity Exposer employs a prolonged sensing range to capture more sparsity details under shadowy sparsity; Sequence-oriented Predictor provides efficient yet accurate predictions to handle large sequence inputs and constantly-evolving parameters; and Dynamic-aware Operator facilitates more structured computational patterns and coalesced memory accesses, addressing dynamic sparse operations. Extensive evaluations show that Long Exposure outperforms state-of-the-arts with up to a $2.49\times$ speedup in end-to-end fine-tuning, offering promising advancements in accelerating PEFT for LLMs.
Authors: Mohan Zhang, Yihua Zhang, Jinghan Jia, Zhangyang Wang, Sijia Liu, Tianlong Chen
Abstract: Modern large reasoning models (LRMs) exhibit impressive multi-step problem-solving via chain-of-thought (CoT) reasoning. However, this iterative thinking mechanism introduces a new vulnerability surface. We present the Deadlock Attack, a resource exhaustion method that hijacks an LRM's generative control flow by training a malicious adversarial embedding to induce perpetual reasoning loops. Specifically, the optimized embedding encourages transitional tokens (e.g., "Wait", "But") after reasoning steps, preventing the model from concluding its answer. A key challenge we identify is the continuous-to-discrete projection gap: na\"ive projections of adversarial embeddings to token sequences nullify the attack. To overcome this, we introduce a backdoor implantation strategy, enabling reliable activation through specific trigger tokens. Our method achieves a 100% attack success rate across four advanced LRMs (Phi-RM, Nemotron-Nano, R1-Qwen, R1-Llama) and three math reasoning benchmarks, forcing models to generate up to their maximum token limits. The attack is also stealthy (in terms of causing negligible utility loss on benign user inputs) and remains robust against existing strategies trying to mitigate the overthinking issue. Our findings expose a critical and underexplored security vulnerability in LRMs from the perspective of reasoning (in)efficiency.
Authors: Zhengyi Zhong, Wenzheng Jiang, Weidong Bao, Ji Wang, Cheems Wang, Guanbo Wang, Yongheng Deng, Ju Ren
Abstract: Conventional federated learning (FL) assumes a closed world with a fixed total number of clients. In contrast, new clients continuously join the FL process in real-world scenarios, introducing new knowledge. This raises two critical demands: detecting new knowledge, i.e., knowledge discovery, and integrating it into the global model, i.e., knowledge adaptation. Existing research focuses on coarse-grained knowledge discovery, and often sacrifices source domain performance and adaptation efficiency. To this end, we propose a fine-grained federated domain adaptation approach in open set (Gains). Gains splits the model into an encoder and a classifier, empirically revealing features extracted by the encoder are sensitive to domain shifts while classifier parameters are sensitive to class increments. Based on this, we develop fine-grained knowledge discovery and contribution-driven aggregation techniques to identify and incorporate new knowledge. Additionally, an anti-forgetting mechanism is designed to preserve source domain performance, ensuring balanced adaptation. Experimental results on multi-domain datasets across three typical data-shift scenarios demonstrate that Gains significantly outperforms other baselines in performance for both source-domain and target-domain clients. Code is available at: https://github.com/Zhong-Zhengyi/Gains.
Authors: Zhen Huang, Hong Wang, Wenkai Yang, Muxi Tang, Depeng Xie, Ting-Jung Lin, Yu Zhang, Wei W. Xing, Lei He
Abstract: Thermal management in 3D ICs is increasingly challenging due to higher power densities. Traditional PDE-solving-based methods, while accurate, are too slow for iterative design. Machine learning approaches like FNO provide faster alternatives but suffer from high-frequency information loss and high-fidelity data dependency. We introduce Self-Attention U-Net Fourier Neural Operator (SAU-FNO), a novel framework combining self-attention and U-Net with FNO to capture long-range dependencies and model local high-frequency features effectively. Transfer learning is employed to fine-tune low-fidelity data, minimizing the need for extensive high-fidelity datasets and speeding up training. Experiments demonstrate that SAU-FNO achieves state-of-the-art thermal prediction accuracy and provides an 842x speedup over traditional FEM methods, making it an efficient tool for advanced 3D IC thermal simulations.
Authors: Paul-Niklas Ken Kandora, Simon Caspar Zeller, Aaron Jeremias Elsing, Elena Kuss, Steffen Rebennack
Abstract: Reformulating nonlinear optimization problems is largely manual and expertise-intensive, yet it remains essential for solving such problems with linear optimization solvers or applying special-purpose algorithms. We introduce \textit{LinearizeLLM}, an agent-based framework that solves this task by leveraging Large Language Models (LLMs). The framework assigns each nonlinear pattern to a \textit{reformulation agent} that is explicitly instructed to derive an exact linear reformulation for its nonlinearity pattern, for instance, absolute-value terms or bilinear products of decision variables. The agents then coordinate to assemble a solver-ready linear model equivalent to the original problem. To benchmark the approach, we create a dataset of 20 real-world nonlinear optimization problems derived from the established ComplexOR dataset of linear optimization problems. We evaluate our approach with several LLMs. Our results indicate that specialized LLM agents can automate linearization tasks, opening a path toward fully conversational modeling pipelines for nonlinear optimization.
Authors: Yang Ba, Mohammad Sadeq Abolhasani, Rong Pan
Abstract: High-quality training data is the foundation of machine learning and artificial intelligence, shaping how models learn and perform. Although much is known about what types of data are effective for training, the impact of the data's geometric structure on model performance remains largely underexplored. We propose that both the richness of representation and the elimination of redundancy within training data critically influence learning outcomes. To investigate this, we employ persistent homology to extract topological features from data within a metric space, thereby offering a principled way to quantify diversity beyond entropy-based measures. Our findings highlight persistent homology as a powerful tool for analyzing and enhancing the training data that drives AI systems.
Authors: Wenyun Li, Zheng Zhang, Dongmei Jiang, Xiangyuan Lan
Abstract: Large language models (LLMs) have garnered significant interest in AI community. Despite their impressive generation capabilities, they have been found to produce misleading or fabricated information, a phenomenon known as hallucinations. Consequently, hallucination detection has become critical to ensure the reliability of LLM-generated content. One primary challenge in hallucination detection is the scarcity of well-labeled datasets containing both truthful and hallucinated outputs. To address this issue, we introduce Prompt-guided data Augmented haLlucination dEtection (PALE), a novel framework that leverages prompt-guided responses from LLMs as data augmentation for hallucination detection. This strategy can generate both truthful and hallucinated data under prompt guidance at a relatively low cost. To more effectively evaluate the truthfulness of the sparse intermediate embeddings produced by LLMs, we introduce an estimation metric called the Contrastive Mahalanobis Score (CM Score). This score is based on modeling the distributions of truthful and hallucinated data in the activation space. CM Score employs a matrix decomposition approach to more accurately capture the underlying structure of these distributions. Importantly, our framework does not require additional human annotations, offering strong generalizability and practicality for real-world applications. Extensive experiments demonstrate that PALE achieves superior hallucination detection performance, outperforming the competitive baseline by a significant margin of 6.55%.
Authors: Junchao Gong, Jingyi Xu, Ben Fei, Fenghua Ling, Wenlong Zhang, Kun Chen, Wanghan Xu, Weidong Yang, Xiaokang Yang, Lei Bai
Abstract: Weather prediction is a critical task for human society, where impressive progress has been made by training artificial intelligence weather prediction (AIWP) methods with reanalysis data. However, reliance on reanalysis data limits the AIWPs with shortcomings, including data assimilation biases and temporal discrepancies. To liberate AIWPs from the reanalysis data, observation forecasting emerges as a transformative paradigm for weather prediction. One of the key challenges in observation forecasting is learning spatiotemporal dynamics across disparate measurement systems with irregular high-resolution observation data, which constrains the design and prediction of AIWPs. To this end, we propose our DAWP as an innovative framework to enable AIWPs to operate in a complete observation space by initialization with an artificial intelligence data assimilation (AIDA) module. Specifically, our AIDA module applies a mask multi-modality autoencoder(MMAE)for assimilating irregular satellite observation tokens encoded by mask ViT-VAEs. For AIWP, we introduce a spatiotemporal decoupling transformer with cross-regional boundary conditioning (CBC), learning the dynamics in observation space, to enable sub-image-based global observation forecasting. Comprehensive experiments demonstrate that AIDA initialization significantly improves the roll out and efficiency of AIWP. Additionally, we show that DAWP holds promising potential to be applied in global precipitation forecasting.
Authors: Zexu Sun, Yongcheng Zeng, Erxue Min, Heyang Gao, Bokai Ji, Xu Chen
Abstract: Contemporary progress in large language models (LLMs) has revealed notable inferential capacities via reinforcement learning (RL) employing verifiable reward, facilitating the development of O1 and R1-like reasoning models. Directly training from base models with RL is called zero-RL. However, previous works rely upon activating LLMs' inherent capacities through fixed prompt templates. This strategy introduces substantial sampling inefficiencies for weak LLMs, as the majority of problems generate invalid outputs during accuracy-driven filtration in reasoning tasks, which causes a waste of samples. To solve this issue, we propose Cog-Rethinker, a novel hierarchical metacognitive RL framework for LLM reasoning. Our Cog-Rethinker mainly focuses on the rollout procedure in RL training. After the direct rollout, our Cog-Rethinker improves sample utilization in a hierarchical metacognitive two-stage framework. By leveraging human cognition during solving problems, firstly, it prompts policy to decompose zero-accuracy problems into subproblems to produce final reasoning results. Secondly, with zero-accuracy problems in previous rollout stage, it further prompts policy to refine these answers by referencing previous wrong solutions. Moreover, to enable cold-start of the two new reasoning patterns and maintain train-test consistency across prompt templates, our Cog-Rethinker applies supervised fine-tuning on the policy using correct samples of the two stages with direct rollout template. Experimental results demonstrate Cog-Rethinker's superior performance on various mathematical reasoning benchmarks, we also analyzed its improved sample efficiency that accelerates convergence compared to baseline methods.
Authors: Donghyeok Shin, Yeongmin Kim, Suhyeon Jo, Byeonghu Na, Il-Chul Moon
Abstract: Autoregressive large language models (LLMs) have achieved remarkable improvement across many tasks but incur high computational and memory costs. Knowledge distillation (KD) mitigates this issue by transferring knowledge from a large teacher to a smaller student through distributional alignment. Previous studies have proposed various discrepancy metrics, but the capacity gap and training instability caused by near-zero probabilities, stemming from the high-dimensional output of LLMs, remain fundamental limitations. To overcome these challenges, several approaches implicitly or explicitly incorporating assistant distribution have recently been proposed. However, the past proposals of assistant distributions have been a fragmented approach without a systematic investigation of the interpolation path and the divergence. This paper proposes $\alpha$-mixture assistant distribution, a novel generalized family of assistant distributions, and $\alpha$-mixture distillation, coined AMiD, a unified framework for KD using the assistant distribution. The $\alpha$-mixture assistant distribution provides a continuous extension of the assistant distribution by introducing a new distribution design variable $\alpha$, which has been fixed in all previous approaches. Furthermore, AMiD generalizes the family of divergences used with the assistant distributions based on optimality, which has also been restricted in previous works. Through extensive experiments, we demonstrate that AMiD offers superior performance and training stability by leveraging a broader and theoretically grounded assistant distribution space.
Authors: Zexi Tan, Tao Xie, Binbin Sun, Xiang Zhang, Yiqun Zhang, Yiu-Ming Cheung
Abstract: Sepsis is a life-threatening infectious syndrome associated with high mortality in intensive care units (ICUs). Early and accurate sepsis prediction (SP) is critical for timely intervention, yet remains challenging due to subtle early manifestations and rapidly escalating mortality. While AI has improved SP efficiency, existing methods struggle to capture weak early temporal signals. This paper introduces a Multi-Endogenous-view Representation Enhancement (MERE) mechanism to construct enriched feature views, coupled with a Cascaded Dual-convolution Time-series Attention (CDTA) module for multi-scale temporal representation learning. The proposed MEET-Sepsis framework achieves competitive prediction accuracy using only 20% of the ICU monitoring time required by SOTA methods, significantly advancing early SP. Extensive validation confirms its efficacy. Code is available at: https://github.com/yueliangy/MEET-Sepsis.
Authors: Sifeddine Sellami (ERIC), Juba Agoun (ERIC), Lamia Yessad (ESI), Louenas Bounia (LIPN)
Abstract: Sleep disorders have a major impact on patients' health and quality of life, but their diagnosis remains complex due to the diversity of symptoms. Today, technological advances, combined with medical data analysis, are opening new perspectives for a better understanding of these disorders. In particular, explainable artificial intelligence (XAI) aims to make AI model decisions understandable and interpretable for users. In this study, we propose a clustering-based method to group patients according to different sleep disorder profiles. By integrating an explainable approach, we identify the key factors influencing these pathologies. An experiment on anonymized real data illustrates the effectiveness and relevance of our approach.
Authors: Samuel Lippl, Thomas McGee, Kimberly Lopez, Ziwen Pan, Pierce Zhang, Salma Ziadi, Oliver Eberle, Ida Momennejad
Abstract: How do latent and inference time computations enable large language models (LLMs) to solve multi-step reasoning? We introduce a framework for tracing and steering algorithmic primitives that underlie model reasoning. Our approach links reasoning traces to internal activation patterns and evaluates algorithmic primitives by injecting them into residual streams and measuring their effect on reasoning steps and task performance. We consider four benchmarks: Traveling Salesperson Problem (TSP), 3SAT, AIME, and graph navigation. We operationalize primitives by clustering neural activations and labeling their matched reasoning traces. We then apply function vector methods to derive primitive vectors as reusable compositional building blocks of reasoning. Primitive vectors can be combined through addition, subtraction, and scalar operations, revealing a geometric logic in activation space. Cross-task and cross-model evaluations (Phi-4, Phi-4-Reasoning, Llama-3-8B) show both shared and task-specific primitives. Notably, comparing Phi-4 with its reasoning-finetuned variant highlights compositional generalization after finetuning: Phi-4-Reasoning exhibits more systematic use of verification and path-generation primitives. Injecting the associated primitive vectors in Phi-4-Base induces behavioral hallmarks associated with Phi-4-Reasoning. Together, these findings demonstrate that reasoning in LLMs may be supported by a compositional geometry of algorithmic primitives, that primitives transfer cross-task and cross-model, and that reasoning finetuning strengthens algorithmic generalization across domains.
Authors: Kangqi Ni, Zhen Tan, Zijie Liu, Pingzhi Li, Tianlong Chen
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR), primarily driven by the Group Relative Policy Optimization (GRPO) algorithm, is a leading approach for enhancing the reasoning abilities of Large Language Models (LLMs). Despite its wide adoption, GRPO's gains are often inconsistent; for instance, a model may show significant improvement in one reasoning domain, like mathematics, yet remain stagnant in another, such as medicine. This inconsistency raises a critical question: under what conditions does GRPO improve reasoning and generalize out-of-distribution (OOD)? We investigate this from a data distribution perspective. We first prove theoretically that GRPO is a conservative reweighting scheme, bounded by the base model's distribution and thus unable to discover completely novel solutions. We further validate this in carefully designed controlled studies by training transformers from scratch, evaluating generalization across reasoning depth, input length, token representation, and compositionality. Our results provide a principled explanation for GRPO's boundaries: OOD improvement emerges only when the target task aligns with the model's pretrained biases, while gains on in-distribution (ID) tasks diminish as performance saturates. This reframes GRPO not as a universal reasoning enhancer but as a tool that sharpens pretraining biases. Our findings motivate future development of algorithms that can expand a model's capabilities beyond its pretraining origin.
Authors: Ziming Dai, Tuo Zhang, Fei Gao, Xingyi Cai, Xiaofei Wang, Cheng Zhang, Wenyu Wang, Chengjie Zang
Abstract: The growing industrial demand for customized and cost-efficient large language models (LLMs) is fueled by the rise of vertical, domain-specific tasks and the need to optimize performance under constraints such as latency and budget. Knowledge distillation, as an efficient model compression and transfer technique, offers a feasible solution. However, existing distillation frameworks often require manual intervention and struggle to meet such complex user-defined distillation requirements. To bridge this gap, we propose Stratos, an end-to-end LLM distillation pipeline that automates server and model selection, knowledge distillation, and deployment in distributed cloud environments. Given user-defined constraints on model performance and system budget, Stratos automatically selects Pareto-optimal servers, dynamically matches teacher-student pairs, and adapts distillation strategies based on task complexity to optimize cloud hosting. Experiments show that Stratos produces a student model that achieves four times the accuracy of its GPT-4o teacher baseline on a rare, domain-specific Mahjong reasoning task with reverse synthetic data and knowledge injection. Moreover, it achieves reduced latency and cost without compromising accuracy. These results highlight its promise for vertical-domain LLM deployment.
Authors: Ozan K. Tonguz, Federico Taschin
Abstract: One of the major problems in Machine Learning (ML) and Artificial Intelligence (AI) is the fact that the probability distribution of the test data in the real world could deviate substantially from the probability distribution of the training data set. When this happens, the predictions of an ML system or an AI agent could involve large errors which is very troublesome and undesirable. While this is a well-known hard problem plaguing the AI and ML systems' accuracy and reliability, in certain applications such errors could be critical for safety and reliability of AI and ML systems. One approach to deal with this problem is to monitor and measure the deviation in the probability distribution of the test data in real time and to compensate for this deviation. In this paper, we propose and explore the use of Kolmogorov-Smirnov (KS) Test for measuring the distribution shift and we show how the KS distance can be used to quantify the distribution shift and its impact on an AI agent's performance. Our results suggest that KS distance could be used as a valuable statistical tool for monitoring and measuring the distribution shift. More specifically, it is shown that even a distance of KS=0.02 could lead to about 50\% increase in the travel time at a single intersection using a Reinforcement Learning agent which is quite significant. It is hoped that the use of KS Test and KS distance in AI-based smart transportation could be an important step forward for gauging the performance degradation of an AI agent in real time and this, in turn, could help the AI agent to cope with the distribution shift in a more informed manner.
Authors: Nilo Schwencke (LISN, TAU), Cyriaque Rousselot (TAU, LISN), Alena Shilova (TAU, LISN), Cyril Furtlehner (LRI, TAU)
Abstract: Recent works have shown that natural gradient methods can significantly outperform standard optimizers when training physics-informed neural networks (PINNs). In this paper, we analyze the training dynamics of PINNs optimized with ANaGRAM, a natural-gradient-inspired approach employing singular value decomposition with cutoff regularization. Building on this analysis, we propose a multi-cutoff adaptation strategy that further enhances ANaGRAM's performance. Experiments on benchmark PDEs validate the effectiveness of our method, which allows to reach machine precision on some experiments. To provide theoretical grounding, we develop a framework based on spectral theory that explains the necessity of regularization and extend previous shown connections with Green's functions theory.
Authors: Ziao Yang, Longbo Huang, Hongfu Liu
Abstract: Data-centric learning emphasizes curating high-quality training samples to boost performance rather than designing new architectures. A central problem is to estimate the influence of training sample efficiently. Prior studies largely focus on static influence measured on a converged model, overlooking how data valuation dynamically changes during optimization. This omission neglects the dynamic nature of sample influence during optimization, especially in deep models. To address the computational burden of frequent influence estimation, we develop a layer-aware online estimator that requires only loss-to-output gradients. This design avoids parameter-level and full-network gradients while preserving ranking fidelity. Extensive experiments across LLM pretraining, fine-tuning, and image classification show our method improves accuracy with substantially lower time and memory cost, making dynamic data curation efficient and scalable in practice.
Authors: Hanyin Cheng, Ruitong Zhang, Yuning Lu, Peng Chen, Meng Wang, Yang Shu, Bin Yang, Chenjuan Guo
Abstract: While Time Series Foundation Models (TSFMs) have demonstrated remarkable success in Multivariate Time Series Anomaly Detection (MTSAD), however, in real-world industrial scenarios, many time series comprise not only numerical variables such as temperature and flow, but also numerous discrete state variables that describe the system status, such as valve on/off or day of the week. Existing TSFMs often overlook the distinct categorical nature of state variables and their critical role as conditions, typically treating them uniformly with numerical variables. This inappropriate modeling approach prevents the model from fully leveraging state information and even leads to a significant degradation in detection performance after state variables are integrated. To address this critical limitation, this paper proposes a novel STate-aware AdapteR (STAR). STAR is a plug-and-play module designed to enhance the capability of TSFMs in modeling and leveraging state variables during the fine-tuning stage. Specifically, STAR comprisesthree core components: (1) We design an Identity-guided State Encoder, whicheffectively captures the complex categorical semantics of state variables through a learnable State Memory. (2) We propose a Conditional Bottleneck Adapter, which dynamically generates low-rank adaptation parameters conditioned on the current state, thereby flexibly injecting the influence of state variables into the backbone model. (3) We also introduce a Numeral-State Matching module to more effectively detect anomalies inherent to the state variables themselves. Extensive experiments conducted on real-world datasets demonstrate that STAR can improve the performance of existing TSFMs on MTSAD.
Authors: Qian Sun, Graham Hults, Susu Xu
Abstract: Timely and reliable decision-making is vital for flood emergency response, yet it remains severely hindered by limited and imprecise situational awareness due to various budget and data accessibility constraints. Traditional flood management systems often rely on in-situ sensors to calibrate remote sensing-based large-scale flood depth forecasting models, and further take flood depth estimates to optimize flood response decisions. However, these approaches often take fixed, decision task-agnostic strategies to decide where to put in-situ sensors (e.g., maximize overall information gain) and train flood forecasting models (e.g., minimize average forecasting errors), but overlook that systems with the same sensing gain and average forecasting errors may lead to distinct decisions. To address this, we introduce a novel decision-focused framework that strategically selects locations for in-situ sensor placement and optimize spatio-temporal flood forecasting models to optimize downstream flood response decision regrets. Our end-to-end pipeline integrates four components: a contextual scoring network, a differentiable sensor selection module under hard budget constraints, a spatio-temporal flood reconstruction and forecasting model, and a differentiable decision layer tailored to task-specific objectives. Central to our approach is the incorporation of Implicit Maximum Likelihood Estimation (I-MLE) to enable gradient-based learning over discrete sensor configurations, and probabilistic decision heads to enable differentiable approximation to various constrained disaster response tasks.
Authors: Saeed Salehi
Abstract: This work investigates transfer learning strategies to accelerate deep reinforcement learning (DRL) for multifidelity control of chaotic fluid flows. Progressive neural networks (PNNs), a modular architecture designed to preserve and reuse knowledge across tasks, are employed for the first time in the context of DRL-based flow control. In addition, a comprehensive benchmarking of conventional fine-tuning strategies is conducted, evaluating their performance, convergence behavior, and ability to retain transferred knowledge. The Kuramoto-Sivashinsky (KS) system is employed as a benchmark to examine how knowledge encoded in control policies, trained in low-fidelity environments, can be effectively transferred to high-fidelity settings. Systematic evaluations show that while fine-tuning can accelerate convergence, it is highly sensitive to pretraining duration and prone to catastrophic forgetting. In contrast, PNNs enable stable and efficient transfer by preserving prior knowledge and providing consistent performance gains, and are notably robust to overfitting during the pretraining phase. Layer-wise sensitivity analysis further reveals how PNNs dynamically reuse intermediate representations from the source policy while progressively adapting deeper layers to the target task. Moreover, PNNs remain effective even when the source and target environments differ substantially, such as in cases with mismatched physical regimes or control objectives, where fine-tuning strategies often result in suboptimal adaptation or complete failure of knowledge transfer. The results highlight the potential of novel transfer learning frameworks for robust, scalable, and computationally efficient flow control that can potentially be applied to more complex flow configurations.
Authors: Sangjoon Lee, Haris Moazam Sheikh
Abstract: Effective airfoil geometry optimization requires exploring a diverse range of designs using as few design variables as possible. This study introduces AirDbM, a Design-by-Morphing (DbM) approach specialized for airfoil optimization that systematically reduces design-space dimensionality. AirDbM selects an optimal set of 12 baseline airfoils from the UIUC airfoil database, which contains over 1,600 shapes, by sequentially adding the baseline that most increases the design capacity. With these baselines, AirDbM reconstructs 99 \% of the database with a mean absolute error below 0.005, which matches the performance of a previous DbM approach that used more baselines. In multi-objective aerodynamic optimization, AirDbM demonstrates rapid convergence and achieves a Pareto front with a greater hypervolume than that of the previous larger-baseline study, where new Pareto-optimal solutions are discovered with enhanced lift-to-drag ratios at moderate stall tolerances. Furthermore, AirDbM demonstrates outstanding adaptability for reinforcement learning (RL) agents in generating airfoil geometry when compared to conventional airfoil parameterization methods, implying the broader potential of DbM in machine learning-driven design.
Authors: Arega Getaneh Abate, Xiufeng Liu, Ruyu Liu, Xiaobing Zhang
Abstract: Photovoltaic (PV) operators face substantial uncertainty in generation and short-term electricity prices. Continuous intraday markets enable producers to adjust their positions in real time, potentially improving revenues and reducing imbalance costs. We propose a feature-driven reinforcement learning (RL) approach for PV intraday trading that integrates data-driven features into the state and learns bidding policies in a sequential decision framework. The problem is cast as a Markov Decision Process with a reward that balances trading profit and imbalance penalties and is solved with Proximal Policy Optimization (PPO) using a predominantly linear, interpretable policy. Trained on historical market data and evaluated out-of-sample, the strategy consistently outperforms benchmark baselines across diverse scenarios. Extensive validation shows rapid convergence, real-time inference, and transparent decision rules. Learned weights highlight the central role of market microstructure and historical features. Taken together, these results indicate that feature-driven RL offers a practical, data-efficient, and operationally deployable pathway for active intraday participation by PV producers.
Authors: Changsheng Wang, Xin Chen, Sijia Liu, Ke Ding
Abstract: Adapting pretrained large language models (LLMs) to code domains via supervised fine-tuning (FT) has been commonly used for code generation. However, we identify a previously underappreciated failure mode, the memorization barrier, where strong memorization of downstream code data in the base model could trap optimization and prevent the standard FT from effectively acquiring new, generalizable code knowledge. To overcome this barrier, we propose the information bottleneck (IB)-guided fine-tuning, termed IB-FT, which applies an IB penalty on hidden representations of the code data to compress spurious, memorized features while preserving task-relevant information. Extensive experiments on two code benchmarks (OriGen and Evol-CodeAlpaca-V1) show that IB-FT substantially alleviates the memorization barrier, improves top-1 performance (Pass@$1$), and yields far more stable gains under the stricter multi-sample metric Pass@$k^{(m)}$ (a problem counts as solved only if at least $m$ of $k$ samples pass unit tests) compared with conventional FT.
Authors: Fanmeng Wang, Shan Mei, Wentao Guo, Hongshuai Wang, Qi Ou, Zhifeng Gao, Hongteng Xu
Abstract: Polymers, macromolecules formed from covalently bonded monomers, underpin countless technologies and are indispensable to modern life. While deep learning is advancing polymer science, existing methods typically represent the whole polymer solely through monomer-level descriptors, overlooking the global structural information inherent in polymer conformations, which ultimately limits their practical performance. Moreover, this field still lacks a universal foundation model that can effectively support diverse downstream tasks, thereby severely constraining progress. To address these challenges, we introduce PolyConFM, the first polymer foundation model that unifies polymer modeling and design through conformation-centric generative pretraining. Recognizing that each polymer conformation can be decomposed into a sequence of local conformations (i.e., those of its repeating units), we pretrain PolyConFM under the conditional generation paradigm, reconstructing these local conformations via masked autoregressive (MAR) modeling and further generating their orientation transformations to recover the corresponding polymer conformation. Besides, we construct the first high-quality polymer conformation dataset via molecular dynamics simulations to mitigate data sparsity, thereby enabling conformation-centric pretraining. Experiments demonstrate that PolyConFM consistently outperforms representative task-specific methods on diverse downstream tasks, equipping polymer science with a universal and powerful tool.
Authors: Marco Barbero-Mota, Eric V. Strobl, John M. Still, William W. Stead, Thomas A. Lasko
Abstract: We provide an accessible description of a peer-reviewed generalizable causal machine learning pipeline to (i) discover latent causal sources of large-scale electronic health records observations, and (ii) quantify the source causal effects on clinical outcomes. We illustrate how imperfect multimodal clinical data can be processed, decomposed into probabilistic independent latent sources, and used to train taskspecific causal models from which individual causal effects can be estimated. We summarize the findings of the two real-world applications of the approach to date as a demonstration of its versatility and utility for medical discovery at scale.
Authors: Yingguang Yang, Xianghua Zeng, Qi Wu, Hao Peng, Yutong Xia, Hao Liu, Bin Chong, Philip S. Yu
Abstract: Social networks have become a crucial source of real-time information for individuals. The influence of social bots within these platforms has garnered considerable attention from researchers, leading to the development of numerous detection technologies. However, the vulnerability and robustness of these detection methods is still underexplored. Existing Graph Neural Network (GNN)-based methods cannot be directly applied due to the issues of limited control over social agents, the black-box nature of bot detectors, and the heterogeneity of bots. To address these challenges, this paper proposes the first adversarial multi-agent Reinforcement learning framework for social Bot control attacks (RoBCtrl) targeting GNN-based social bot detectors. Specifically, we use a diffusion model to generate high-fidelity bot accounts by reconstructing existing account data with minor modifications, thereby evading detection on social platforms. To the best of our knowledge, this is the first application of diffusion models to mimic the behavior of evolving social bots effectively. We then employ a Multi-Agent Reinforcement Learning (MARL) method to simulate bots adversarial behavior. We categorize social accounts based on their influence and budget. Different agents are then employed to control bot accounts across various categories, optimizing the attachment strategy through reinforcement learning. Additionally, a hierarchical state abstraction based on structural entropy is designed to accelerate the reinforcement learning. Extensive experiments on social bot detection datasets demonstrate that our framework can effectively undermine the performance of GNN-based detectors.
Authors: Xiangyuan Peng, Xingsi Dong, Si Wu
Abstract: We propose Grid-like Code Quantization (GCQ), a brain-inspired method for compressing observation-action sequences into discrete representations using grid-like patterns in attractor dynamics. Unlike conventional vector quantization approaches that operate on static inputs, GCQ performs spatiotemporal compression through an action-conditioned codebook, where codewords are derived from continuous attractor neural networks and dynamically selected based on actions. This enables GCQ to jointly compress space and time, serving as a unified world model. The resulting representation supports long-horizon prediction, goal-directed planning, and inverse modeling. Experiments across diverse tasks demonstrate GCQ's effectiveness in compact encoding and downstream performance. Our work offers both a computational tool for efficient sequence modeling and a theoretical perspective on the formation of grid-like codes in neural systems.
Authors: Mengtao Lv, Ruiqi Zhu, Xinyu Wang, Yun Li
Abstract: Large language models (LLMs) have demonstrated remarkable capabilities in various kinds of tasks, while the billion or even trillion parameters bring storage and efficiency bottlenecks for inference. Quantization, particularly floating-point quantization, is known to be capable of speeding up LLM inference by reducing memory footprint and data movement during the inference process. For the first time, we advance the floating-point quantization exploration from integer bitwidths to non-integer bit-widths, namely AMS-Quant, to further approach the quantization sweet spot. AMS-Quant incorporates two novel techniques to put it into effect: (1) it proposes Mantissa-bit Sharing, which groups k quantized weights and lets them share the least significant mantissa bit, allowing us to further approach the minimum quantization bit-width without accuracy loss. (2) It introduces Adaptive Searching, which employs an offline optimization strategy to minimize the accuracy degradation introduced by sharing. Moreover, AMS-Quant is also prototyped as efficient CUDA Linear kernels, which translates memory savings into wall-clock latency reduction by reducing memory access. Extensive experiments on large-scale datasets and models show that AMS-Quant can quantize the model to FP-5.33-e2m3 and FP4.25-e2m2, and significantly speed up the LLM decoding over FP16 inference (2.8x and 3.2x), with negligible accuracy loss.
Authors: Sofiya Garkot, Maksym Shamrai, Ivan Synytsia, Mariya Hirna
Abstract: Autonomous agents capable of operating complex graphical user interfaces (GUIs) have the potential to transform desktop automation. While recent advances in large language models (LLMs) have significantly improved UI understanding, navigating full-window, multi-application desktop environments remains a major challenge. Data availability is limited by costly manual annotation, closed-source datasets and surface-level synthetic pipelines. We introduce GUIrilla, an automated scalable framework that systematically explores applications via native accessibility APIs to address the critical data collection challenge in GUI automation. Our framework focuses on macOS - an ecosystem with limited representation in current UI datasets - though many of its components are designed for broader cross-platform applicability. GUIrilla organizes discovered interface elements and crawler actions into hierarchical GUI graphs and employs specialized interaction handlers to achieve comprehensive application coverage. Using the application graphs from GUIrilla crawler, we construct and release GUIrilla-Task, a large-scale dataset of 27,171 functionally grounded tasks across 1,108 macOS applications, each annotated with full-desktop and window-level screenshots, accessibility metadata, and semantic action traces. Empirical results show that tuning LLM-based agents on GUIrilla-Task significantly improves performance on downstream UI tasks, outperforming synthetic baselines on the ScreenSpot Pro benchmark while using 97% less data. We also release macapptree, an open-source library for reproducible collection of structured accessibility metadata, along with the full GUIrilla-Task dataset, the manually verified GUIrilla-Gold benchmark, and the framework code to support open research in desktop autonomy.
Authors: Chenyang Yu, Xinpeng Xie, Yan Huang, Chenxi Qiu
Abstract: Accurate traffic forecasting is a core technology for building Intelligent Transportation Systems (ITS), enabling better urban resource allocation and improved travel experiences. With growing urbanization, traffic congestion has intensified, highlighting the need for reliable and responsive forecasting models. In recent years, deep learning, particularly Graph Neural Networks (GNNs), has emerged as the mainstream paradigm in traffic forecasting. GNNs can effectively capture complex spatial dependencies in road network topology and dynamic temporal evolution patterns in traffic flow data. Foundational models such as STGCN and GraphWaveNet, along with more recent developments including STWave and D2STGNN, have achieved impressive performance on standard traffic datasets. These approaches incorporate sophisticated graph convolutional structures and temporal modeling mechanisms, demonstrating particular effectiveness in capturing and forecasting traffic patterns characterized by periodic regularities. To address this challenge, researchers have explored various ways to incorporate event information. Early attempts primarily relied on manually engineered event features. For instance, some approaches introduced manually defined incident effect scores or constructed specific subgraphs for different event-induced traffic conditions. While these methods somewhat enhance responsiveness to specific events, their core drawback lies in a heavy reliance on domain experts' prior knowledge, making generalization to diverse and complex unknown events difficult, and low-dimensional manual features often lead to the loss of rich semantic details.
Authors: Coen Adler, Yuxin Chang, Felix Draxler, Samar Abdi, Padhraic Smyth
Abstract: The recent development of foundation models for time series data has generated considerable interest in using such models across a variety of applications. Although foundation models achieve state-of-the-art predictive performance, their calibration properties remain relatively underexplored, despite the fact that calibration can be critical for many practical applications. In this paper, we investigate the calibration-related properties of five recent time series foundation models and two competitive baselines. We perform a series of systematic evaluations assessing model calibration (i.e., over- or under-confidence), effects of varying prediction heads, and calibration under long-term autoregressive forecasting. We find that time series foundation models are consistently better calibrated than baseline models and tend not to be either systematically over- or under-confident, in contrast to the overconfidence often seen in other deep learning models.
Authors: Muhy Eddin Za'ter, Bri-Mathias Hodge
Abstract: Accurate voltage estimation in distribution networks is critical for real-time monitoring and increasing the reliability of the grid. As DER penetration and distribution level voltage variability increase, robust distribution system state estimation (DSSE) has become more essential to maintain safe and efficient operations. Traditional DSSE techniques, however, struggle with sparse measurements and the scale of modern feeders, limiting their scalability to large networks. This paper presents a hierarchical graph neural network for substation-level voltage estimation that exploits both electrical topology and physical features, while remaining robust to the low observability levels common to real-world distribution networks. Leveraging the public SMART-DS datasets, the model is trained and evaluated on thousands of buses across multiple substations and DER penetration scenarios. Comprehensive experiments demonstrate that the proposed method achieves up to 2 times lower RMSE than alternative data-driven models, and maintains high accuracy with as little as 1\% measurement coverage. The results highlight the potential of GNNs to enable scalable, reproducible, and data-driven voltage monitoring for distribution systems.
Authors: Muhy Eddin Za'ter, Bri-Mathias Hodge, Kyri Baker
Abstract: Solving the nonlinear AC optimal power flow (AC OPF) problem remains a major computational bottleneck for real-time grid operations. In this paper, we propose a residual learning paradigm that uses fast DC optimal power flow (DC OPF) solutions as a baseline, and learns only the nonlinear corrections required to provide the full AC-OPF solution. The method utilizes a topology-aware Graph Neural Network with local attention and two-level DC feature integration, trained using a physics-informed loss that enforces AC power-flow feasibility and operational limits. Evaluations on OPFData for 57-, 118-, and 2000-bus systems show around 25% lower MSE, up to 3X reduction in feasibility error, and up to 13X runtime speedup compared to conventional AC OPF solvers. The model maintains accuracy under N-1 contingencies and scales efficiently to large networks. These results demonstrate that residual learning is a practical and scalable bridge between linear approximations and AC-feasible OPF, enabling near real-time operational decision making.
Authors: Lunchen Xie, Zehua He, Qingjiang Shi
Abstract: Personalized Federated Learning (PFL) has emerged as a critical research frontier addressing data heterogeneity issue across distributed clients. Novel model architectures and collaboration mechanisms are engineered to accommodate statistical disparities while producing client-specific models. Parameter decoupling represents a promising paradigm for maintaining model performance in PFL frameworks. However, the communication efficiency of many existing methods remains suboptimal, sustaining substantial communication burdens that impede practical deployment. To bridge this gap, we propose Federated Learning with Programmed Update and Reduced INformation (FedPURIN), a novel framework that strategically identifies critical parameters for transmission through an integer programming formulation. This mathematically grounded strategy is seamlessly integrated into a sparse aggregation scheme, achieving a significant communication reduction while preserving the efficacy. Comprehensive evaluations on standard image classification benchmarks under varied non-IID conditions demonstrate competitive performance relative to state-of-the-art methods, coupled with quantifiable communication reduction through sparse aggregation. The framework establishes a new paradigm for communication-efficient PFL, particularly advantageous for edge intelligence systems operating with heterogeneous data sources.
Authors: Qinxuan Wang, Chuang Wang, Mingyu Zhang, Jingwei Sun, Peipei Yang, Shuo Tang, Shiming Xiang
Abstract: Neural operators have emerged as a powerful data-driven paradigm for solving Partial Differential Equations (PDEs), offering orders-of-magnitude acceleration over traditional solvers. However, existing approaches still suffer from limited accuracy and scalability, particularly on irregular domains where fluid flows exhibit rich multiscale structures. In this work, we introduce the Multiscale Neural Operator (MNO), a new architecture for Computational Fluid Dynamics (CFD) on three-dimensional (3D) unstructured point clouds. MNO explicitly decomposes information across three scales: a global dimension-shrinkage attention module for long-range dependencies, a local graph attention module for neighborhood-level interactions, and a micro point-wise attention module for fine-grained details. This design preserves multiscale inductive biases while remaining computationally efficient. We evaluate MNO on four diverse benchmarks, covering both steady-state and unsteady flow scenarios with up to 300K points. Across all tasks, MNO consistently outperforms state-of-the-art baselines, reducing prediction errors by 5% to 40% and demonstrating improved robustness in challenging 3D CFD problems. Our results highlight the importance of explicit multiscale design for neural operators and establish MNO as a scalable framework for learning complex fluid dynamics on irregular domains.
Authors: Jing He, Hua Jiang, Cheng Li, Siqian Xin, Shuzhen Yang
Abstract: This work introduces a novel theoretical framework grounded in Random Matrix Theory (RMT) for analyzing Transformer training dynamics. We focus on the underlying mechanisms that drive performance improvements and derive principled early-stopping criteria. Empirically, we observe that the spectral density of the shallow self-attention matrix V consistently evolves into a heavy-tailed distribution. Utilizing the PL (Power Law) fit to this matrix as a probe, we demarcate training into three stages: structural exploration, heavy-tailed structure stabilization, and convergence saturation. This staging provides guidance for preliminary stopping decisions. Crucially, we propose two consistent and validation-free criteria: a quantitative metric for heavy-tailed dynamics and a novel spectral signature indicative of convergence. The strong alignment between these criteria highlights the utility of RMT for monitoring and diagnosing the progression of Transformer model training.
Authors: Sergio Mu\~niz Subi\~nas, Manuel L. Gonz\'alez, Jorge Ruiz G\'omez, Alejandro Mata Ali, Jorge Mart\'inez Mart\'in, Miguel Franco Hernando, \'Angel Miguel Garc\'ia-Vico
Abstract: This work introduces a post-training quantization (PTQ) method for dense neural networks via a novel ADAROUND-based QUBO formulation. Using the Frobenius distance between the theoretical output and the dequantized output (before the activation function) as the objective, an explicit QUBO whose binary variables represent the rounding choice for each weight and bias is obtained. Additionally, by exploiting the structure of the coefficient QUBO matrix, the global problem can be exactly decomposed into $n$ independent subproblems of size $f+1$, which can be efficiently solved using some heuristics such as simulated annealing. The approach is evaluated on MNIST, Fashion-MNIST, EMNIST, and CIFAR-10 across integer precisions from int8 to int1 and compared with a round-to-nearest traditional quantization methodology.
Authors: SeongKu Kang, Jianxun Lian, Dongha Lee, Wonbin Kweon, Sanghwan Jang, Jaehyun Lee, Jindong Wang, Xing Xie, Hwanjo Yu
Abstract: Recommender systems suffer from biases that cause the collected feedback to incompletely reveal user preference. While debiasing learning has been extensively studied, they mostly focused on the specialized (called counterfactual) test environment simulated by random exposure of items, significantly degrading accuracy in the typical (called factual) test environment based on actual user-item interactions. In fact, each test environment highlights the benefit of a different aspect: the counterfactual test emphasizes user satisfaction in the long-terms, while the factual test focuses on predicting subsequent user behaviors on platforms. Therefore, it is desirable to have a model that performs well on both tests rather than only one. In this work, we introduce a new learning framework, called Bias-adaptive Preference distillation Learning (BPL), to gradually uncover user preferences with dual distillation strategies. These distillation strategies are designed to drive high performance in both factual and counterfactual test environments. Employing a specialized form of teacher-student distillation from a biased model, BPL retains accurate preference knowledge aligned with the collected feedback, leading to high performance in the factual test. Furthermore, through self-distillation with reliability filtering, BPL iteratively refines its knowledge throughout the training process. This enables the model to produce more accurate predictions across a broader range of user-item combinations, thereby improving performance in the counterfactual test. Comprehensive experiments validate the effectiveness of BPL in both factual and counterfactual tests. Our implementation is accessible via: https://github.com/SeongKu-Kang/BPL.
Authors: Naeem Paeedeh, Mahardhika Pratama, Weiping Ding, Jimmy Cao, Wolfgang Mayer, Ryszard Kowalczyk
Abstract: Domain Incremental Learning (DIL) is a continual learning sub-branch that aims to address never-ending arrivals of new domains without catastrophic forgetting problems. Despite the advent of parameter-efficient fine-tuning (PEFT) approaches, existing works create task-specific LoRAs overlooking shared knowledge across tasks. Inaccurate selection of task-specific LORAs during inference results in significant drops in accuracy, while existing works rely on linear or prototype-based classifiers, which have suboptimal generalization powers. Our paper proposes continual knowledge consolidation low rank adaptation (CONEC-LoRA) addressing the DIL problems. CONEC-LoRA is developed from consolidations between task-shared LORA to extract common knowledge and task-specific LORA to embrace domain-specific knowledge. Unlike existing approaches, CONEC-LoRA integrates the concept of a stochastic classifier whose parameters are sampled from a distribution, thus enhancing the likelihood of correct classifications. Last but not least, an auxiliary network is deployed to optimally predict the task-specific LoRAs for inferences and implements the concept of a different-depth network structure in which every layer is connected with a local classifier to take advantage of intermediate representations. This module integrates the ball-generator loss and transformation module to address the synthetic sample bias problem. Our rigorous experiments demonstrate the advantage of CONEC-LoRA over prior arts in 4 popular benchmark problems with over 5% margins.
Authors: Jaehan Kim, Minkyoo Song, Minjae Seo, Youngjin Jin, Seungwon Shin, Jinwoo Kim
Abstract: Credential stuffing attacks have caused significant harm to online users who frequently reuse passwords across multiple websites. While prior research has attempted to detect users with reused passwords or identify malicious login attempts, existing methods often compromise usability by restricting password creation or website access, and their reliance on complex account-sharing mechanisms hinders real-world deployment. To address these limitations, we propose PassREfinder-FL, a novel framework that predicts credential stuffing risks across websites. We introduce the concept of password reuse relations -- defined as the likelihood of users reusing passwords between websites -- and represent them as edges in a website graph. Using graph neural networks (GNNs), we perform a link prediction task to assess credential reuse risk between sites. Our approach scales to a large number of arbitrary websites by incorporating public website information and linking newly observed websites as nodes in the graph. To preserve user privacy, we extend PassREfinder-FL with a federated learning (FL) approach that eliminates the need to share user sensitive information across administrators. Evaluation on a real-world dataset of 360 million breached accounts from 22,378 websites shows that PassREfinder-FL achieves an F1-score of 0.9153 in the FL setting. We further validate that our FL-based GNN achieves a 4-11% performance improvement over other state-of-the-art GNN models through an ablation study. Finally, we demonstrate that the predicted results can be used to quantify password reuse likelihood as actionable risk scores.
Authors: Karol Sajnok, Micha{\l} Matuszewski
Abstract: Backpropagation learning algorithm, the workhorse of modern artificial intelligence, is notoriously difficult to implement in physical neural networks. Equilibrium Propagation (EP) is an alternative with comparable efficiency and strong potential for in-situ training. We extend EP learning to both discrete and continuous complex-valued wave systems. In contrast to previous EP implementations, our scheme is valid in the weakly dissipative regime, and readily applicable to a wide range of physical settings, even without well defined nodes, where trainable inter-node connections can be replaced by trainable local potential. We test the method in driven-dissipative exciton-polariton condensates governed by generalized Gross-Pitaevskii dynamics. Numerical studies on standard benchmarks, including a simple logical task and handwritten-digit recognition, demonstrate stable convergence, establishing a practical route to in-situ learning in physical systems in which system control is restricted to local parameters.
Authors: Ziyang Liu, Pengjunfei Chu, Shuming Dong, Chen Zhang, Mingcheng Li, Jin Wang
Abstract: In recent years, Multimodal Sentiment Analysis (MSA) has become a research hotspot that aims to utilize multimodal data for human sentiment understanding. Previous MSA studies have mainly focused on performing interaction and fusion on complete multimodal data, ignoring the problem of missing modalities in real-world applications due to occlusion, personal privacy constraints, and device malfunctions, resulting in low generalizability. To this end, we propose a Factorization-guided Semantic Recovery Framework (FSRF) to mitigate the modality missing problem in the MSA task. Specifically, we propose a de-redundant homo-heterogeneous factorization module that factorizes modality into modality-homogeneous, modality-heterogeneous, and noisy representations and design elaborate constraint paradigms for representation learning. Furthermore, we design a distribution-aligned self-distillation module that fully recovers the missing semantics by utilizing bidirectional knowledge transfer. Comprehensive experiments on two datasets indicate that FSRF has a significant performance advantage over previous methods with uncertain missing modalities.
Authors: William Hoy, Nurcin Celik
Abstract: Large language models (LLMs) increasingly require mechanisms for continual adaptation without full retraining. However, sequential updates can lead to catastrophic forgetting, where new edits degrade previously acquired knowledge. This work presents STABLE, a gated continual self editing framework that constrains forgetting during sequential updates using parameter efficient fine tuning via Low Rank Adaptation (LoRA; see arXiv:2106.09685). Each candidate edit is evaluated against a stability budget using one of three metrics: (i) Exact Match (EM) drop, capturing factual accuracy loss; (ii) bits increase, reflecting reduced model confidence; and (iii) KL divergence, quantifying distributional drift between the base and adapted models. If a threshold is exceeded, the LoRA update is rescaled through a clipping procedure or rejected. Experiments on the Qwen-2.5-7B model show that gating effectively mitigates forgetting while preserving adaptability. EM based gating achieved the highest cumulative performance in short continual learning sequences. Our results show that different gating strategies can achieve comparable distribution shift (measured by KL divergence) while producing different accuracy outcomes, highlighting the importance of gating design in continual adaptation. This approach offers a principled method for continual model editing, enabling LLMs to integrate new knowledge while maintaining reliability. Code: https://github.com/Bhoy1/STABLE
Authors: Devvrit Khatri, Pranamya Kulkarni, Nilesh Gupta, Yerram Varun, Liqian Peng, Jay Yagnik, Praneeth Netrapalli, Cho-Jui Hsieh, Alec Go, Inderjit S Dhillon, Aditya Kusupati, Prateek Jain
Abstract: Large Language Models (LLMs) have been shown to be able to learn different tasks without explicit finetuning when given many input-output examples / demonstrations through In-Context Learning (ICL). Increasing the number of examples, called ``shots'', improves downstream task performance but incurs higher memory and computational costs. In this work, we study an approach to improve the memory and computational efficiency of ICL inference by compressing the many-shot prompts. Given many shots comprising t tokens, our goal is to generate a m soft-token summary, where m < t. We first show that existing prompt compression methods are ineffective for many-shot compression, and simply using fewer shots as a baseline is surprisingly strong. To achieve effective compression, we find that: (a) a stronger compressor model with more trainable parameters is necessary, and (b) compressing many-shot representations at each transformer layer enables more fine-grained compression by providing each layer with its own compressed representation. Based on these insights, we propose MemCom, a layer-wise compression method. We systematically evaluate various compressor models and training approaches across different model sizes (2B and 7B), architectures (Gemma and Mistral), many-shot sequence lengths (3k-6k tokens), and compression ratios (3x to 8x). MemCom outperforms strong baselines across all compression ratios on multiple classification tasks with large label sets. Notably, while baseline performance degrades sharply at higher compression ratios, often by over 20-30%, MemCom maintains high accuracy with minimal degradation, typically dropping by less than 10%.
Authors: Eleni Straitouri, Stratis Tsirtsis, Ander Artola Velasco, Manuel Gomez-Rodriguez
Abstract: Recent work has shown that, in classification tasks, it is possible to design decision support systems that do not require human experts to understand when to cede agency to a classifier or when to exercise their own agency to achieve complementarity$\unicode{x2014}$experts using these systems make more accurate predictions than those made by the experts or the classifier alone. The key principle underpinning these systems reduces to adaptively controlling the level of human agency, by design. Can we use the same principle to achieve complementarity in sequential decision making tasks? In this paper, we answer this question affirmatively. We develop a decision support system that uses a pre-trained AI agent to narrow down the set of actions a human can take to a subset, and then asks the human to take an action from this action set. Along the way, we also introduce a bandit algorithm that leverages the smoothness properties of the action sets provided by our system to efficiently optimize the level of human agency. To evaluate our decision support system, we conduct a large-scale human subject study ($n = 1{,}600$) where participants play a wildfire mitigation game. We find that participants who play the game supported by our system outperform those who play on their own by $\sim$$30$% and the AI agent used by our system by $>$$2$%, even though the AI agent largely outperforms participants playing without support. We have made available the data gathered in our human subject study as well as an open source implementation of our system at https://github.com/Networks-Learning/narrowing-action-choices .
URLs: https://github.com/Networks-Learning/narrowing-action-choices
Authors: Federico Malato, Ville Hautam\"aki
Abstract: World Models have vastly permeated the field of Reinforcement Learning. Their ability to model the transition dynamics of an environment have greatly improved sample efficiency in online RL. Among them, the most notorious example is Dreamer, a model that learns to act in a diverse set of image-based environments. In this paper, we leverage similarity search and stochastic representations to approximate a world model without a training procedure. We establish a comparison with PlaNet, a well-established world model of the Dreamer family. We evaluate the models on the quality of latent reconstruction and on the perceived similarity of the reconstructed image, on both next-step and long horizon dynamics prediction. The results of our study demonstrate that a search-based world model is comparable to a training based one in both cases. Notably, our model show stronger performance in long-horizon prediction with respect to the baseline on a range of visually different environments.
Authors: Phalguni Nanda, Zaiwei Chen
Abstract: In this work, we present the first finite-time analysis of the Q-learning algorithm under time-varying learning policies (i.e., on-policy sampling) with minimal assumptions -- specifically, assuming only the existence of a policy that induces an irreducible Markov chain over the state space. We establish a last-iterate convergence rate for $\mathbb{E}[\|Q_k - Q^*\|_\infty^2]$, implying a sample complexity of order $O(1/\epsilon^2)$ for achieving $\mathbb{E}[\|Q_k - Q^*\|_\infty] \le \epsilon$, matching that of off-policy Q-learning but with a worse dependence on exploration-related parameters. We also derive an explicit rate for $\mathbb{E}[\|Q^{\pi_k} - Q^*\|_\infty^2]$, where $\pi_k$ is the learning policy at iteration $k$. These results reveal that on-policy Q-learning exhibits weaker exploration than its off-policy counterpart but enjoys an exploitation advantage, as its policy converges to an optimal one rather than remaining fixed. Numerical simulations corroborate our theory. Technically, the combination of time-varying learning policies (which induce rapidly time-inhomogeneous Markovian noise) and the minimal assumption on exploration presents significant analytical challenges. To address these challenges, we employ a refined approach that leverages the Poisson equation to decompose the Markovian noise corresponding to the lazy transition matrix into a martingale-difference term and residual terms. To control the residual terms under time inhomogeneity, we perform a sensitivity analysis of the Poisson equation solution with respect to both the Q-function estimate and the learning policy. These tools may further facilitate the analysis of general reinforcement learning algorithms with rapidly time-varying learning policies -- such as single-timescale actor--critic methods and learning-in-games algorithms -- and are of independent interest.
Authors: Dung V. Nguyen, Anh T. Nguyen, Minh H. Nguyen, Luc Q. Nguyen, Shiqi Jiang, Ethan Fetaya, Linh Duy Tran, Gal Chechik, Tan M. Nguyen
Abstract: Existing expert merging strategies for Sparse Mixture of Experts (SMoE) typically rely on input-dependent or input-independent averaging of expert parameters, but often lack a principled weighting mechanism. In this work, we reinterpret expert merging through the lens of game theory, revealing cooperative and competitive dynamics among experts. Based on this perspective, we introduce Nash Merging of Experts (NAMEx), a novel framework that incorporates Nash Bargaining into the merging process, enabling more balanced and efficient collaboration among experts. Additionally, we incorporate complex momentum into NAMEx to accelerate expert propagation with theoretical guarantees for convergence. Extensive experiments across language modelling, text classification, image classification, and zero-shot robustness under data corruption show that NAMEx consistently outperforms competing methods while integrating seamlessly with popular MoE architectures. Finally, we demonstrate NAMEx's scalability by applying it to large-scale systems, including Qwen1.5-MoE (14B) and DeepSeek-MoE (16B), where it proves effective in both zero-shot and fine-tuning settings.
Authors: Xuchen Gong, Tian Li
Abstract: Classic zeroth-order optimization approaches typically optimize for a smoothed version of the original function, i.e., the expected objective under randomly perturbed model parameters. This can be interpreted as encouraging the loss values in the perturbation set to be small on average. Popular sharpness-aware minimization (SAM) objectives, however, typically focus on the largest loss within the neighborhood to arrive at flat minima more effectively. In this work, we connect zeroth-order optimization (and its corresponding objectives) with SAM approaches explicitly, through an exponential tilting objective that provides a smooth transition between the average- and the max-loss formulations. We explore new zeroth-order algorithms to solve a soft SAM objective parameterized by a tilting parameter $t$. We provide precise characterizations of the sharpness notions of the tilted SAM framework. Practically, our approach can be used as a gradient-free and memory-efficient alternative to SAM variants, and it achieves better generalization compared to vanilla zeroth-order baselines on a wide range of downstream tasks, including classification, multiple choice QA, and language generation.
Authors: Ankitkumar Joshi, Milos Hauskrecht
Abstract: Modeling irregularly sampled multivariate time series is a persistent challenge in domains like healthcare and sensor networks. While recent works have explored a variety of complex learning architectures to solve the prediction problems for irregularly sampled time series, it remains unclear what are the true benefits of some of these architectures, and whether clever modifications of simpler and more efficient RNN-based algorithms are still competitive, i.e. they are on par with or even superior to these methods. In this work, we propose and study GRUwE: Gated Recurrent Unit with Exponential basis functions, that builds upon RNN-based architectures for observations made at irregular times. GRUwE supports both regression-based and event-based predictions in continuous time. GRUwE works by maintaining a Markov state representation of the time series that updates with the arrival of irregular observations. The Markov state update relies on two reset mechanisms: (i) observation-triggered reset, and (ii) time-triggered reset of the GRU state using learnable exponential decays, to support the predictions in continuous time. Our empirical evaluations across several real-world benchmarks on next-observation and next-event prediction tasks demonstrate that GRUwE can indeed achieve competitive to superior performance compared to the recent state-of-the-art (SOTA) methods. Thanks to its simplicity, GRUwE offers compelling advantages: it is easy to implement, requires minimal hyper-parameter tuning efforts, and significantly reduces the computational overhead in the online deployment.
Authors: Charles Rhys Campbell, Aldo H. Romero, Kamal Choudhary
Abstract: Generative models have become significant assets in the exploration and identification of new materials, enabling the rapid proposal of candidate crystal structures that satisfy target properties. Despite the increasing adoption of diverse architectures, a rigorous comparative evaluation of their performance on materials datasets is lacking. In this work, we present a systematic benchmark of three representative generative models- AtomGPT (a transformer-based model), Crystal Diffusion Variational Autoencoder (CDVAE), and FlowMM (a Riemannian flow matching model). These models were trained to reconstruct crystal structures from subsets of two publicly available superconductivity datasets- JARVIS Supercon 3D and DS A/B from the Alexandria database. Performance was assessed using the Kullback-Leibler (KL) divergence between predicted and reference distributions of lattice parameters, as well as the mean absolute error (MAE) of individual lattice constants. For the computed KLD and MAE scores, CDVAE performs most favorably, followed by AtomGPT, and then FlowMM. All benchmarking code and model configurations will be made publicly available at https://github.com/atomgptlab/atombench_inverse.
Authors: Archie Chaudhury
Abstract: Reinforcement Learning frameworks, particularly those utilizing human annotations, have become an increasingly popular method for preference fine-tuning, where the outputs of a language model are tuned to match a certain set of behavioral policies or guidelines. Reinforcement Learning through Human Feedback (RLHF) is perhaps the most popular implementation of such a framework, particularly for aligning LMs toward safety and human intent. However, the internal workings of how such alignment is achieved remain largely opaque. In this work, we systematically analyze preference optimization for language model alignment by applying layer-wide causal patching between a base model and its tuned counterpart across human preference pairs. We implement our methodology on \textit{Llama-3.2-1B}, and find that alignment is spatially localized: mid-layer activations encode a distinct subspace that causally determines reward-consistent behavior, while early and late layers remain largely unaffected. Utilizing LASSO regression, we also find that only a small number of layers possess non-zero coefficients linking activation distances to reward gains. Overall, we show that, at least for some language models, alignment from human-based, preferential tuning is a directional, low rank process, rather than diffuse and parameteric.
Authors: Longwei Wang, Ifrat Ikhtear Uddin, KC Santosh, Chaowei Zhang, Xiao Qin, Yang Zhou
Abstract: Adversarial examples reveal critical vulnerabilities in deep neural networks by exploiting their sensitivity to imperceptible input perturbations. While adversarial training remains the predominant defense strategy, it often incurs significant computational cost and may compromise clean-data accuracy. In this work, we investigate an architectural approach to adversarial robustness by embedding group-equivariant convolutions-specifically, rotation- and scale-equivariant layers-into standard convolutional neural networks (CNNs). These layers encode symmetry priors that align model behavior with structured transformations in the input space, promoting smoother decision boundaries and greater resilience to adversarial attacks. We propose and evaluate two symmetry-aware architectures: a parallel design that processes standard and equivariant features independently before fusion, and a cascaded design that applies equivariant operations sequentially. Theoretically, we demonstrate that such models reduce hypothesis space complexity, regularize gradients, and yield tighter certified robustness bounds under the CLEVER (Cross Lipschitz Extreme Value for nEtwork Robustness) framework. Empirically, our models consistently improve adversarial robustness and generalization across CIFAR-10, CIFAR-100, and CIFAR-10C under both FGSM and PGD attacks, without requiring adversarial training. These findings underscore the potential of symmetry-enforcing architectures as efficient and principled alternatives to data augmentation-based defenses.
Authors: Pablo Samuel Castro
Abstract: The last decade has seen an upswing in interest and adoption of reinforcement learning (RL) techniques, in large part due to its demonstrated capabilities at performing certain tasks at "super-human levels". This has incentivized the community to prioritize research that demonstrates RL agent performance, often at the expense of research aimed at understanding their learning dynamics. Performance-focused research runs the risk of overfitting on academic benchmarks -- thereby rendering them less useful -- which can make it difficult to transfer proposed techniques to novel problems. Further, it implicitly diminishes work that does not push the performance-frontier, but aims at improving our understanding of these techniques. This paper argues two points: (i) RL research should stop focusing solely on demonstrating agent capabilities, and focus more on advancing the science and understanding of reinforcement learning; and (ii) we need to be more precise on how our benchmarks map to the underlying mathematical formalisms. We use the popular Arcade Learning Environment (ALE; Bellemare et al., 2013) as an example of a benchmark that, despite being increasingly considered "saturated", can be effectively used for developing this understanding, and facilitating the deployment of RL techniques in impactful real-world problems.
Authors: Daniel Donnelly, Angelo Ferrando, Francesco Belardinelli
Abstract: A key challenge in reinforcement learning (RL) is reward (mis)specification, whereby imprecisely defined reward functions can result in unintended, possibly harmful, behaviours. Indeed, reward functions in RL are typically treated as black-box mappings from state-action pairs to scalar values. While effective in many settings, this approach provides no information about why rewards are given, which can hinder learning and interpretability. Reward Machines address this issue by representing reward functions as finite state automata, enabling the specification of structured, non-Markovian reward functions. However, their expressivity is typically bounded by regular languages, leaving them unable to capture more complex behaviours such as counting or parametrised conditions. In this work, we build on the Runtime Monitoring Language (RML) to develop a novel class of language-based Reward Machines. By leveraging the built-in memory of RML, our approach can specify reward functions for non-regular, non-Markovian tasks. We demonstrate the expressiveness of our approach through experiments, highlighting additional advantages in flexible event-handling and task specification over existing Reward Machine-based methods.
Authors: Fateme Golivand Darvishvand, Hikaru Shindo, Sahil Sidheekh, Kristian Kersting, Sriraam Natarajan
Abstract: Reinforcement learning (RL) has experienced a second wind in the past decade. While incredibly successful in images and videos, these systems still operate within the realm of propositional tasks ignoring the inherent structure that exists in the problem. Consequently, relational extensions (RRL) have been developed for such structured problems that allow for effective generalization to arbitrary number of objects. However, they inherently make strong assumptions about the problem structure. We introduce a novel framework that combines RRL with object-centric representation to handle both structured and unstructured data. We enhance learning by allowing the system to actively query the human expert for guidance by explicitly modeling the uncertainty over the policy. Our empirical evaluation demonstrates the effectiveness and efficiency of our proposed approach.
Authors: Sunmook Choi, Yahya Sattar, Yassir Jedra, Maryam Fazel, Sarah Dean
Abstract: We study a nonstationary bandit problem where rewards depend on both actions and latent states, the latter governed by unknown linear dynamics. Crucially, the state dynamics also depend on the actions, resulting in tension between short-term and long-term rewards. We propose an explore-then-commit algorithm for a finite horizon $T$. During the exploration phase, random Rademacher actions enable estimation of the Markov parameters of the linear dynamics, which characterize the action-reward relationship. In the commit phase, the algorithm uses the estimated parameters to design an optimized action sequence for long-term reward. Our proposed algorithm achieves $\tilde{\mathcal{O}}(T^{2/3})$ regret. Our analysis handles two key challenges: learning from temporally correlated rewards, and designing action sequences with optimal long-term reward. We address the first challenge by providing near-optimal sample complexity and error bounds for system identification using bilinear rewards. We address the second challenge by proving an equivalence with indefinite quadratic optimization over a hypercube, a known NP-hard problem. We provide a sub-optimality guarantee for this problem, enabling our regret upper bound. Lastly, we propose a semidefinite relaxation with Goemans-Williamson rounding as a practical approach.
Authors: Henrique Pickler, Jorge K. S. Kamassury, Danilo Silva
Abstract: Label noise is a common problem in real-world datasets, affecting both model training and validation. Clean data are essential for achieving strong performance and ensuring reliable evaluation. While various techniques have been proposed to detect noisy labels, there is no clear consensus on optimal approaches. We perform a comprehensive benchmark of detection methods by decomposing them into three fundamental components: label agreement function, aggregation method, and information gathering approach (in-sample vs out-of-sample). This decomposition can be applied to many existing detection methods, and enables systematic comparison across diverse approaches. To fairly compare methods, we propose a unified benchmark task, detecting a fraction of training samples equal to the dataset's noise rate. We also introduce a novel metric: the false negative rate at this fixed operating point. Our evaluation spans vision and tabular datasets under both synthetic and real-world noise conditions. We identify that in-sample information gathering using average probability aggregation combined with the logit margin as the label agreement function achieves the best results across most scenarios. Our findings provide practical guidance for designing new detection methods and selecting techniques for specific applications.
Authors: Patricia West, Michelle WL Wan, Alexander Hepburn, Edwin Simpson, Raul Santos-Rodriguez, Jeffrey N Clark
Abstract: Climate change demands effective legislative action to mitigate its impacts. This study explores the application of machine learning (ML) to understand the progression of climate policy from announcement to adoption, focusing on policies within the European Green Deal. We present a dataset of 165 policies, incorporating text and metadata. We aim to predict a policy's progression status, and compare text representation methods, including TF-IDF, BERT, and ClimateBERT. Metadata features are included to evaluate the impact on predictive performance. On text features alone, ClimateBERT outperforms other approaches (RMSE = 0.17, R^2 = 0.29), while BERT achieves superior performance with the addition of metadata features (RMSE = 0.16, R^2 = 0.38). Using methods from explainable AI highlights the influence of factors such as policy wording and metadata including political party and country representation. These findings underscore the potential of ML tools in supporting climate policy analysis and decision-making.
Authors: Danil Akhtiamov, Reza Ghane, Babak Hassibi
Abstract: Recent advances in neural networks have led to significant computational and memory demands, spurring interest in one-bit weight compression to enable efficient inference on resource-constrained devices. However, the theoretical underpinnings of such compression remain poorly understood. We address this gap by analyzing one-bit quantization in the Random Features model, a simplified framework that corresponds to neural networks with random representations. We prove that, asymptotically, quantizing weights of all layers except the last incurs no loss in generalization error, compared to the full precision random features model. Our findings offer theoretical insights into neural network compression. We also demonstrate empirically that one-bit quantization leads to significant inference speed ups for the Random Features models even on a laptop GPU, confirming the practical benefits of our work. Additionally, we provide an asymptotically precise characterization of the generalization error for Random Features with an arbitrary number of layers. To the best of our knowledge, our analysis yields more general results than all previous works in the related literature.
Authors: Yuxuan Lu, Jing Huang, Hui Liu, Jiri Gesi, Yan Han, Shihan Fu, Tianqi Zheng, Dakuo Wang
Abstract: Training and evaluation of Reinforcement Learning (RL) web agents have gained increasing attention, yet a scalable and efficient environment that couples realistic and robust browser-side interaction with controllable server-side state at scale is still missing. Existing environments tend to have one or more of the following issues: they overwhelm policy models with excessive and noisy context; they perform actions non-deterministically without waiting for the UI or network to stabilize; or they cannot scale isolated client-server containers effectively for parallel RL rollouts. We propose WEBSERV, an environment that includes 1) a compact, site-agnostic browser environment that balances context and action complexity, and 2) a scalable RL environment via efficient launching and resetting web-servers to enable scalable RL training and evaluation. We evaluate WEBSERV on the shopping CMS and Gitlab tasks in WebArena, achieving state-of-the-art single-prompt success rates while cutting launch latency by ~5x and storage need by ~240x, with a comparable memory footprint, enabling 200+ concurrent containers on a single host.
Authors: Arielle Sanford, Shuo Sun, Christian B. Mendl
Abstract: Recent advances in protein structure prediction, such as AlphaFold, have demonstrated the power of deep neural architectures like the Evoformer for capturing complex spatial and evolutionary constraints on protein conformation. However, the depth of the Evoformer, comprising 48 stacked blocks, introduces high computational costs and rigid layerwise discretization. Inspired by Neural Ordinary Differential Equations (Neural ODEs), we propose a continuous-depth formulation of the Evoformer, replacing its 48 discrete blocks with a Neural ODE parameterization that preserves its core attention-based operations. This continuous-time Evoformer achieves constant memory cost (in depth) via the adjoint method, while allowing a principled trade-off between runtime and accuracy through adaptive ODE solvers. Benchmarking on protein structure prediction tasks, we find that the Neural ODE-based Evoformer produces structurally plausible predictions and reliably captures certain secondary structure elements, such as alpha-helices, though it does not fully replicate the accuracy of the original architecture. However, our model achieves this performance using dramatically fewer resources, just 17.5 hours of training on a single GPU, highlighting the promise of continuous-depth models as a lightweight and interpretable alternative for biomolecular modeling. This work opens new directions for efficient and adaptive protein structure prediction frameworks.
Authors: Yoonho Lee, Junseok Lee, Sangwoo Seo, Sungwon Kim, Yeongmin Kim, Chanyoung Park
Abstract: Despite the promising results of disentangled representation learning in discovering latent patterns in graph-structured data, few studies have explored disentanglement for hypergraph-structured data. Integrating hyperedge disentanglement into hypergraph neural networks enables models to leverage hidden hyperedge semantics, such as unannotated relations between nodes, that are associated with labels. This paper presents an analysis of hyperedge disentanglement from a category-theoretical perspective and proposes a novel criterion for disentanglement derived from the naturality condition. Our proof-of-concept model experimentally showed the potential of the proposed criterion by successfully capturing functional relations of genes (nodes) in genetic pathways (hyperedges).
Authors: Yutong Wang, Haiyu Wang, Sai Qian Zhang
Abstract: Vision-Language Models (VLMs) are integral to tasks such as image captioning and visual question answering, but their high computational cost, driven by large memory footprints and processing time, limits their scalability and real-time applicability. In this work, we propose leveraging Singular-Value Decomposition (SVD) over the joint query (Q), key (K), and value (V) weight matrices to reduce KV cache size and computational overhead. We in addition introduce an efficient rank allocation strategy that dynamically adjusts the SVD rank based on its impact on VLM accuracy, achieving a significant reduction in both memory usage and computational cost. Finally, we extend this approach by applying quantization to both VLM weights and activations, resulting in a highly efficient VLM. Our method outperforms previous approaches that rely solely on quantization or SVD by achieving more than $10\%$ accuracy improvement while consuming less hardware cost, making it better for real-time deployment on resource-constrained devices. We open source our code at \href{https://github.com/SAI-Lab-NYU/QSVD}{\texttt{https://github.com/SAI-Lab-NYU/QSVD}}.
URLs: https://github.com/SAI-Lab-NYU/QSVD, https://github.com/SAI-Lab-NYU/QSVD
Authors: Xin Wang, Yu Wang, Yunchao Liu, Jens Meiler, Tyler Derr
Abstract: Ligand-based virtual screening (VS) is an essential step in drug discovery that evaluates large chemical libraries to identify compounds that potentially bind to a therapeutic target. However, VS faces three major challenges: class imbalance due to the low active rate, structural imbalance among active molecules where certain scaffolds dominate, and the need to identify structurally diverse active compounds for novel drug development. We introduce ScaffAug, a scaffold-aware VS framework that addresses these challenges through three modules. The augmentation module first generates synthetic data conditioned on scaffolds of actual hits using generative AI, specifically a graph diffusion model. This helps mitigate the class imbalance and furthermore the structural imbalance, due to our proposed scaffold-aware sampling algorithm, designed to produce more samples for active molecules with underrepresented scaffolds. A model-agnostic self-training module is then used to safely integrate the generated synthetic data from our augmentation module with the original labeled data. Lastly, we introduce a reranking module that improves VS by enhancing scaffold diversity in the top recommended set of molecules, while still maintaining and even enhancing the overall general performance of identifying novel, active compounds. We conduct comprehensive computational experiments across five target classes, comparing ScaffAug against existing baseline methods by reporting the performance of multiple evaluation metrics and performing ablation studies on ScaffAug. Overall, this work introduces novel perspectives on effectively enhancing VS by leveraging generative augmentations, reranking, and general scaffold-awareness.
Authors: Daohan Su, Yang Zhang, Xunkai Li, Rong-Hua Li, Guoren Wang
Abstract: Graph Contrastive Learning (GCL) has emerged as a powerful tool for extracting consistent representations from graphs, independent of labeled information. However, existing methods predominantly focus on undirected graphs, disregarding the pivotal directional information that is fundamental and indispensable in real-world networks (e.g., social networks and recommendations).In this paper, we introduce S2-DiGCL, a novel framework that emphasizes spatial insights from complex and real domain perspectives for directed graph (digraph) contrastive learning. From the complex-domain perspective, S2-DiGCL introduces personalized perturbations into the magnetic Laplacian to adaptively modulate edge phases and directional semantics. From the real-domain perspective, it employs a path-based subgraph augmentation strategy to capture fine-grained local asymmetries and topological dependencies. By jointly leveraging these two complementary spatial views, S2-DiGCL constructs high-quality positive and negative samples, leading to more general and robust digraph contrastive learning. Extensive experiments on 7 real-world digraph datasets demonstrate the superiority of our approach, achieving SOTA performance with 4.41% improvement in node classification and 4.34% in link prediction under both supervised and unsupervised settings.
Authors: Mo Zhou, Haoyang Ma, Rong Ge
Abstract: Deep learning has led researchers to rethink the relationship between memorization and generalization. In many settings, memorization does not hurt generalization due to implicit regularization and may help by memorizing long-tailed examples. In this paper, we consider the synergy between memorization and simple composition -- the ability to make correct prediction on a combination of long-tailed features. Theoretically, we show that for a linear setting, memorization together with composition can help the model make correct predictions on rare test examples that require a combination of long-tailed features, even if such combinations were never observed in the training data. Experiments on neural network architecture on simple data show that the theoretical insight extends beyond the linear setting, and we further observe that the composition capability of the model depends on its architecture.
Authors: Shule Hao, Junpeng Bao, Wenli Li
Abstract: Recent research in time series forecasting has explored integrating multimodal features into models to improve accuracy. However, the accuracy of such methods is constrained by three key challenges: inadequate extraction of fine-grained temporal patterns, suboptimal integration of multimodal information, and limited adaptability to dynamic multi-scale features. To address these problems, we propose MGTS-Net, a Multimodal Graph-enhanced Network for Time Series forecasting. The model consists of three core components: (1) a Multimodal Feature Extraction layer (MFE), which optimizes feature encoders according to the characteristics of temporal, visual, and textual modalities to extract temporal features of fine-grained patterns; (2) a Multimodal Feature Fusion layer (MFF), which constructs a heterogeneous graph to model intra-modal temporal dependencies and cross-modal alignment relationships and dynamically aggregates multimodal knowledge; (3) a Multi-Scale Prediction layer (MSP), which adapts to multi-scale features by dynamically weighting and fusing the outputs of short-term, medium-term, and long-term predictors. Extensive experiments demonstrate that MGTS-Net exhibits excellent performance with light weight and high efficiency. Compared with other state-of-the-art baseline models, our method achieves superior performance, validating the superiority of the proposed methodology.
Authors: Fuqun Han, Stanley Osher, Wuchen Li
Abstract: In this work, we propose a sparse transformer architecture that incorporates prior information about the underlying data distribution directly into the transformer structure of the neural network. The design of the model is motivated by a special optimal transport problem, namely the regularized Wasserstein proximal operator, which admits a closed-form solution and turns out to be a special representation of transformer architectures. Compared with classical flow-based models, the proposed approach improves the convexity properties of the optimization problem and promotes sparsity in the generated samples. Through both theoretical analysis and numerical experiments, including applications in generative modeling and Bayesian inverse problems, we demonstrate that the sparse transformer achieves higher accuracy and faster convergence to the target distribution than classical neural ODE-based methods.
Authors: Minh-Khoi Nguyen-Nhat, Rachel S. Y. Teo, Laziz Abdullaev, Maurice Mok, Viet-Hoang Tran, Tan Minh Nguyen
Abstract: Sparse Mixture of Experts (SMoE) has emerged as a promising solution to achieving unparalleled scalability in deep learning by decoupling model parameter count from computational cost. By activating only a small subset of parameters per sample, SMoE enables significant growth in model capacity while maintaining efficiency. However, SMoE struggles to adapt to distributional shifts, leading to reduced robustness under data contamination. In this work, we introduce SymphonySMoE, a novel family of SMoE that introduces a social graph to model interactions among experts. This graph-based structure enhances the token routing process, addressing the robustness challenges that are inherent in conventional SMoE designs. SymphonySMoE is lightweight, modular, and integrates seamlessly with existing SMoE-based models such as the XMoE and the Generalist Language Model. We provide both theoretical analysis and empirical evidence demonstrating SymphonySMoE's advantages over baseline SMoE. Extensive experiments on language modeling and visual instruction tuning validate our method's effectiveness. We further highlight the scalability of SymphonySMoE to models with 4.2 and 7.4 billion parameters, showcasing its applicability in fine-tuning tasks for large-scale systems.
Authors: Dimitris Stefanopoulos, Andreas Voskou
Abstract: This report presents the winning solution for Task 1 of Colliding with Adversaries: A Challenge on Robust Learning in High Energy Physics Discovery at ECML-PKDD 2025. The task required designing an adversarial attack against a provided classification model that maximizes misclassification while minimizing perturbations. Our approach employs a multi-round gradient-based strategy that leverages the differentiable structure of the model, augmented with random initialization and sample-mixing techniques to enhance effectiveness. The resulting attack achieved the best results in perturbation size and fooling success rate, securing first place in the competition.
Authors: Dimitris Stefanopoulos, Andreas Voskou
Abstract: This report presents the winning solution for Task 2 of Colliding with Adversaries: A Challenge on Robust Learning in High Energy Physics Discovery at ECML-PKDD 2025. The goal of the challenge was to design and train a robust ANN-based model capable of achieving high accuracy in a binary classification task on both clean and adversarial data generated with the Random Distribution Shuffle Attack (RDSA). Our solution consists of two components: a data generation phase and a robust model training phase. In the first phase, we produced 15 million artificial training samples using a custom methodology derived from Random Distribution Shuffle Attack (RDSA). In the second phase, we introduced a robust architecture comprising (i)a Feature Embedding Block with shared weights among features of the same type and (ii)a Dense Fusion Tail responsible for the final prediction. Training this architecture on our adversarial dataset achieved a mixed accuracy score of 80\%, exceeding the second-place solution by two percentage points.
Authors: Yongxiang Hua, Haoyu Cao, Zhou Tao, Bocheng Li, Zihao Wu, Chaohu Liu, Linli Xu
Abstract: Sparse Mixture of Experts (sMoE) has become a pivotal approach for scaling large vision-language models, offering substantial capacity while maintaining computational efficiency through dynamic, sparse activation of experts. However, existing routing mechanisms, typically based on similarity scoring, struggle to effectively capture the underlying input structure. This limitation leads to a trade-off between expert specialization and balanced computation, hindering both scalability and performance. We propose Input Domain Aware MoE, a novel routing framework that leverages a probabilistic mixture model to better partition the input space. By modeling routing probabilities as a mixture of distributions, our method enables experts to develop clear specialization boundaries while achieving balanced utilization. Unlike conventional approaches, our routing mechanism is trained independently of task-specific objectives, allowing for stable optimization and decisive expert assignments. Empirical results on vision-language tasks demonstrate that our method consistently outperforms existing sMoE approaches, achieving higher task performance and improved expert utilization balance.
Authors: Emmanuelle Claeys, Elena Kerjean, Jean-Michel Loubes
Abstract: We introduce a sequential reinforcement learning framework for imitation learning designed to model heterogeneous cognitive strategies in pollinators. Focusing on honeybees, our approach leverages trajectory similarity to capture and forecast behavior across individuals that rely on distinct strategies: some exploiting numerical cues, others drawing on memory, or being influenced by environmental factors such as weather. Through empirical evaluation, we show that state-of-the-art imitation learning methods often fail in this setting: when expert policies shift across memory windows or deviate from optimality, these models overlook both fast and slow learning behaviors and cannot faithfully reproduce key decision patterns. Moreover, they offer limited interpretability, hindering biological insight. Our contribution addresses these challenges by (i) introducing a model that minimizes predictive loss while identifying the effective memory horizon most consistent with behavioral data, and (ii) ensuring full interpretability to enable biologists to analyze underlying decision-making strategies and finally (iii) providing a mathematical framework linking bee policy search with bandit formulations under varying exploration-exploitation dynamics, and releasing a novel dataset of 80 tracked bees observed under diverse weather conditions. This benchmark facilitates research on pollinator cognition and supports ecological governance by improving simulations of insect behavior in agroecosystems. Our findings shed new light on the learning strategies and memory interplay shaping pollinator decision-making.
Authors: Farwa Abbas, Hussain Ahmad, Claudia Szabo
Abstract: High-dimensional, heterogeneous data with complex feature interactions pose significant challenges for traditional predictive modeling approaches. While Projection to Latent Structures (PLS) remains a popular technique, it struggles to model complex non-linear relationships, especially in multivariate systems with high-dimensional correlation structures. This challenge is further compounded by simultaneous interactions across multiple scales, where local processing fails to capture crossgroup dependencies. Additionally, static feature weighting limits adaptability to contextual variations, as it ignores sample-specific relevance. To address these limitations, we propose a novel method that enhances predictive performance through novel architectural innovations. Our architecture introduces an adaptive kernel-based attention mechanism that processes distinct feature groups separately before integration, enabling capture of local patterns while preserving global relationships. Experimental results show substantial improvements in performance metrics, compared to the state-of-the-art methods across diverse datasets.
Authors: Dongchan Cho, Jiho Han, Keumyeong Kang, Minsang Kim, Honggyu Ryu, Namsoon Jung
Abstract: Real-world multivariate time series anomalies are rare and often unlabeled. Additionally, prevailing methods rely on increasingly complex architectures tuned to benchmarks, detecting only fragments of anomalous segments and overstating performance. In this paper, we introduce OracleAD, a simple and interpretable unsupervised framework for multivariate time series anomaly detection. OracleAD encodes each variable's past sequence into a single causal embedding to jointly predict the present time point and reconstruct the input window, effectively modeling temporal dynamics. These embeddings then undergo a self-attention mechanism to project them into a shared latent space and capture spatial relationships. These relationships are not static, since they are modeled by a property that emerges from each variable's temporal dynamics. The projected embeddings are aligned to a Stable Latent Structure (SLS) representing normal-state relationships. Anomalies are identified using a dual scoring mechanism based on prediction error and deviation from the SLS, enabling fine-grained anomaly diagnosis at each time point and across individual variables. Since any noticeable SLS deviation originates from embeddings that violate the learned temporal causality of normal data, OracleAD directly pinpoints the root-cause variables at the embedding level. OracleAD achieves state-of-the-art results across multiple real-world datasets and evaluation protocols, while remaining interpretable through SLS.
Authors: Dhruv Gupta, Aditya Nagarsekar, Vraj Shah, Sujith Thomas
Abstract: Modern datasets often contain high-dimensional features exhibiting complex dependencies. To effectively analyze such data, dimensionality reduction methods rely on estimating the dataset's intrinsic dimension (id) as a measure of its underlying complexity. However, estimating id is challenging due to its dependence on scale: at very fine scales, noise inflates id estimates, while at coarser scales, estimates stabilize to lower, scale-invariant values. This paper introduces a novel, scalable, and parallelizable method called eDCF, which is based on Connectivity Factor (CF), a local connectivity-based metric, to robustly estimate intrinsic dimension across varying scales. Our method consistently matches leading estimators, achieving comparable values of mean absolute error (MAE) on synthetic benchmarks with noisy samples. Moreover, our approach also attains higher exact intrinsic dimension match rates, reaching up to 25.0% compared to 16.7% for MLE and 12.5% for TWO-NN, particularly excelling under medium to high noise levels and large datasets. Further, we showcase our method's ability to accurately detect fractal geometries in decision boundaries, confirming its utility for analyzing realistic, structured data.
Authors: Ashutosh Srivastava, Lokesh Nagalapatti, Gautam Jajoo, Aniket Vashishtha, Parameswari Krishnamurthy, Amit Sharma
Abstract: Recent claims of strong performance by Large Language Models (LLMs) on causal discovery are undermined by a key flaw: many evaluations rely on benchmarks likely included in pretraining corpora. Thus, apparent success suggests that LLM-only methods, which ignore observational data, outperform classical statistical approaches. We challenge this narrative by asking: Do LLMs truly reason about causal structure, and how can we measure it without memorization concerns? Can they be trusted for real-world scientific discovery? We argue that realizing LLMs' potential for causal analysis requires two shifts: (P.1) developing robust evaluation protocols based on recent scientific studies to guard against dataset leakage, and (P.2) designing hybrid methods that combine LLM-derived knowledge with data-driven statistics. To address P.1, we encourage evaluating discovery methods on novel, real-world scientific studies. We outline a practical recipe for extracting causal graphs from recent publications released after an LLM's training cutoff, ensuring relevance and preventing memorization while capturing both established and novel relations. Compared to benchmarks like BNLearn, where LLMs achieve near-perfect accuracy, they perform far worse on our curated graphs, underscoring the need for statistical grounding. Supporting P.2, we show that using LLM predictions as priors for the classical PC algorithm significantly improves accuracy over both LLM-only and purely statistical methods. We call on the community to adopt science-grounded, leakage-resistant benchmarks and invest in hybrid causal discovery methods suited to real-world inquiry.
Authors: Alif Elham Khan, Mohammad Junayed Hasan, Humayra Anjum, Nabeel Mohammed, Sifat Momen
Abstract: Life satisfaction is a crucial facet of human well-being. Hence, research on life satisfaction is incumbent for understanding how individuals experience their lives and influencing interventions targeted at enhancing mental health and well-being. Life satisfaction has traditionally been measured using analog, complicated, and frequently error-prone methods. These methods raise questions concerning validation and propagation. However, this study demonstrates the potential for machine learning algorithms to predict life satisfaction with a high accuracy of 93.80% and a 73.00% macro F1-score. The dataset comes from a government survey of 19000 people aged 16-64 years in Denmark. Using feature learning techniques, 27 significant questions for assessing contentment were extracted, making the study highly reproducible, simple, and easily interpretable. Furthermore, clinical and biomedical large language models (LLMs) were explored for predicting life satisfaction by converting tabular data into natural language sentences through mapping and adding meaningful counterparts, achieving an accuracy of 93.74% and macro F1-score of 73.21%. It was found that life satisfaction prediction is more closely related to the biomedical domain than the clinical domain. Ablation studies were also conducted to understand the impact of data resampling and feature selection techniques on model performance. Moreover, the correlation between primary determinants with different age brackets was analyzed, and it was found that health condition is the most important determinant across all ages. This study demonstrates how machine learning, large language models and XAI can jointly contribute to building trust and understanding in using AI to investigate human behavior, with significant ramifications for academics and professionals working to quantify and comprehend subjective well-being.
Authors: Zitao Fang, Chenxuan Li, Hongting Zhou, Shuyang Yu, Guodong Du, Ashwaq Qasem, Yang Lu, Jing Li, Junsong Zhang, Sim Kuan Goh
Abstract: Electroencephalography (EEG) has wide-ranging applications, from clinical diagnosis to brain-computer interfaces (BCIs). With the increasing volume and variety of EEG data, there has been growing interest in establishing foundation models (FMs) to scale up and generalize neural decoding. Despite showing early potential, applying FMs to EEG remains challenging due to substantial inter-subject, inter-task, and inter-condition variability, as well as diverse electrode configurations across recording setups. To tackle these open challenges, we propose NeurIPT, a foundation model developed for diverse EEG-based Neural Interfaces with a Pre-trained Transformer by capturing both homogeneous and heterogeneous spatio-temporal characteristics inherent in EEG signals. Temporally, we introduce Amplitude-Aware Masked Pretraining (AAMP), masking based on signal amplitude rather than random intervals, to learn robust representations across varying signal intensities beyond local interpolation. Moreover, this temporal representation is enhanced by a Progressive Mixture-of-Experts (PMoE) architecture, where specialized expert subnetworks are progressively introduced at deeper layers, adapting effectively to the diverse temporal characteristics of EEG signals. Spatially, NeurIPT leverages the 3D physical coordinates of electrodes, enabling effective transfer of embedding across varying EEG settings, and develops Intra-Inter Lobe Pooling (IILP) during fine-tuning to efficiently exploit regional brain features. Empirical evaluations across eight downstream BCI datasets, via fine-tuning, demonstrated NeurIPT consistently achieved state-of-the-art performance, highlighting its broad applicability and robust generalization. Our work pushes forward the state of FMs in EEG and offers insights into scalable and generalizable neural information processing systems.
Authors: Ang Li, Yifei Wang, Zhihang Yuan, Stefanie Jegelka, Yisen Wang
Abstract: Reinforcement learning in large language models (LLMs) often relies on scalar rewards, a practice that discards valuable textual rationale buried in the rollouts, forcing the model to explore \textit{de novo} with each attempt and hindering sample efficiency. While LLMs can uniquely learn from language feedback provided in-context, naively integrating on-line experiences into RL training presents a paradox: feedback from the same problem risks information leakage and memorization, while feedback from different problems often leads to behavior collapse due to irrelevant context. To resolve this tension, we propose \textbf{Language-And-Numerical Policy Optimization (LANPO)}, a framework that cleanly separates the roles of feedback: language guides exploration, while numerical rewards drive optimization. LANPO builds a dynamic experience pool from past trials and introduces two principles to ensure feedback is effective: \emph{Reward-Agnostic Reflection} for safe intra-sample self-correction and \emph{Relevant Abstraction} to distill generalizable lessons from inter-sample experiences. Across mathematical reasoning benchmarks, LANPO enables 7B and 14B models to significantly outperform strong baselines trained with GRPO in test accuracy. Our work provides a robust method for integrating historical experiences into the LLM RL loop, creating more effective and data-efficient learning agents.
Authors: Jiaxi Zhuang, Yu Zhang, Aimin Zhou, Ying Qian
Abstract: Retrosynthesis prediction is fundamental to drug discovery and chemical synthesis, requiring the identification of reactants that can produce a target molecule. Current template-free methods struggle to capture the structural invariance inherent in chemical reactions, where substantial molecular scaffolds remain unchanged, leading to unnecessarily large search spaces and reduced prediction accuracy. We introduce C-SMILES, a novel molecular representation that decomposes traditional SMILES into element-token pairs with five special tokens, effectively minimizing editing distance between reactants and products. Building upon this representation, we incorporate a copy-augmented mechanism that dynamically determines whether to generate new tokens or preserve unchanged molecular fragments from the product. Our approach integrates SMILES alignment guidance to enhance attention consistency with ground-truth atom mappings, enabling more chemically coherent predictions. Comprehensive evaluation on USPTO-50K and large-scale USPTO-FULL datasets demonstrates significant improvements: 67.2% top-1 accuracy on USPTO-50K and 50.8% on USPTO-FULL, with 99.9% validity in generated molecules. This work establishes a new paradigm for structure-aware molecular generation with direct applications in computational drug discovery.
Authors: Alan Kai Hassen, Andrius Bernatavicius, Antonius P. A. Janssen, Mike Preuss, Gerard J. P. van Westen, Djork-Arn\'e Clevert
Abstract: Applications of machine learning in chemistry are often limited by the scarcity and expense of labeled data, restricting traditional supervised methods. In this work, we introduce a framework for molecular reasoning using general-purpose Large Language Models (LLMs) that operates without requiring labeled training data. Our method anchors chain-of-thought reasoning to the molecular structure by using unique atomic identifiers. First, the LLM performs a one-shot task to identify relevant fragments and their associated chemical labels or transformation classes. In an optional second step, this position-aware information is used in a few-shot task with provided class examples to predict the chemical transformation. We apply our framework to single-step retrosynthesis, a task where LLMs have previously underperformed. Across academic benchmarks and expert-validated drug discovery molecules, our work enables LLMs to achieve high success rates in identifying chemically plausible reaction sites ($\geq90\%$), named reaction classes ($\geq40\%$), and final reactants ($\geq74\%$). Beyond solving complex chemical tasks, our work also provides a method to generate theoretically grounded synthetic datasets by mapping chemical knowledge onto the molecular structure and thereby addressing data scarcity.
Authors: Cassidy Ashworth, Pietro Li\`o, Francesco Caso
Abstract: Deep learning models have proven enormously successful at using multiple layers of representation to learn relevant features of structured data. Encoding physical symmetries into these models can improve performance on difficult tasks, and recent work has motivated the principle of parameter symmetry breaking and restoration as a unifying mechanism underlying their hierarchical learning dynamics. We evaluate the role of parameter symmetry and network expressivity in the generalisation behaviour of neural networks when learning a real-space renormalisation group (RG) transformation, using the central limit theorem (CLT) as a test case map. We consider simple multilayer perceptrons (MLPs) and graph neural networks (GNNs), and vary weight symmetries and activation functions across architectures. Our results reveal a competition between symmetry constraints and expressivity, with overly complex or overconstrained models generalising poorly. We analytically demonstrate this poor generalisation behaviour for certain constrained MLP architectures by recasting the CLT as a cumulant recursion relation and making use of an established framework to propagate cumulants through MLPs. We also empirically validate an extension of this framework from MLPs to GNNs, elucidating the internal information processing performed by these more complex models. These findings offer new insight into the learning dynamics of symmetric networks and their limitations in modelling structured physical transformations.
Authors: Tianwei Wang, Xinhui Ma, Wei Pang
Abstract: Motivated by the geometric advantages of quaternions in representing rotations and postures, we propose a quaternion-valued supervised learning Hopfield-structured neural network (QSHNN) with a fully connected structure inspired by the classic Hopfield neural network (HNN). Starting from a continuous-time dynamical model of HNNs, we extend the formulation to the quaternionic domain and establish the existence and uniqueness of fixed points with asymptotic stability. For the learning rules, we introduce a periodic projection strategy that modifies standard gradient descent by periodically projecting each 4*4 block of the weight matrix onto the closest quaternionic structure in the least-squares sense. This approach preserves both convergence and quaternionic consistency throughout training. Benefiting from this rigorous mathematical foundation, the experimental model implementation achieves high accuracy, fast convergence, and strong reliability across randomly generated target sets. Moreover, the evolution trajectories of the QSHNN exhibit well-bounded curvature, i.e., sufficient smoothness, which is crucial for applications such as control systems or path planning modules in robotic arms, where joint postures are parameterized by quaternion neurons. Beyond these application scenarios, the proposed model offers a practical implementation framework and a general mathematical methodology for designing neural networks under hypercomplex or non-commutative algebraic structures.
Authors: Avrim Blum, Daniel Hsu, Cyrus Rashtchian, Donya Saless
Abstract: Test-time augmentation, such as Retrieval-Augmented Generation (RAG) or tool use, critically depends on an interplay between a model's parametric knowledge and externally retrieved information. However, the theoretical underpinnings of this relationship remain poorly understood. Specifically, it is not clear how much pre-training knowledge is required to answer queries with a small number of augmentation steps, which is a desirable property in practice. To address this question, we formulate multi-step reasoning as an $s$-$t$ connectivity problem on a knowledge graph. We represent a model's pre-training parametric knowledge as a partial, potentially noisy subgraph. We view augmentation as querying an oracle for true edges that augment the model's knowledge. Then, we characterize the necessary and sufficient number of augmentation steps for the model to generate an accurate answer given partial prior knowledge. One key result shows a phase transition: if the prior knowledge graph over $n$ vertices is disconnected into small components, then finding a path via augmentation is inefficient and requires $\Omega(\sqrt{n})$ queries. On the other hand, once the density of correct knowledge surpasses a threshold, forming a giant component, we can find paths with an expected constant number of queries.
Authors: Jiatong Yu, Yinghui He, Anirudh Goyal, Sanjeev Arora
Abstract: Machine unlearning seeks to selectively remove the "influence" of specific training data on a model's outputs. The ideal goal is Retrain Equivalence--behavior identical to a model trained from scratch on only the retained data. This goal was formulated for models trained on i.i.d. data batches, but modern pipelines often involve multi-stage training, with each stage having a distinct data distribution and objective. Examples include LLM fine-tuning for alignment, reasoning ability, etc. Our study shows via theory and experiments that this shift to multi-stage training introduces a fundamental barrier for machine unlearning. The theory indicates that the outcome of local unlearning--methods that only use gradients computed on the forget set--is path-dependent. That is, a model's behavior during unlearning is influenced by the order of its training stages during learning, making it impossible for path-oblivious algorithms to universally achieve Retrain Equivalence. We empirically demonstrate the same phenomenon in LLM post-training across Llama and Qwen models (1B to 14B) with gradient ascent, NPO, and SimNPO local unlearning algorithms. Models fine-tuned via different orderings of identical training stages diverge in behavior during unlearning, with the degradation in GSM8K accuracy after unlearning varying by over 20% across paths. We also observe that some learning paths consistently produce models that unlearn slowly. During unlearning, whether the probability mass gets squeezed into paraphrasing or alternative concepts is also path-dependent. These results consistently show that Retrain Equivalence is an ill-posed target for local unlearning algorithms, so long as the target models are trained in stages. In situations where access to models' training histories is hard, the current work calls for rethinking the definition and desiderata of machine unlearning.
Authors: Noah El Rimawi-Fine, Adam Stecklov, Lucas Nelson, Mathieu Blanchette, Alexander Tong, Stephen Y. Zhang, Lazar Atanackovic
Abstract: Modeling dynamical systems and unraveling their underlying causal relationships is central to many domains in the natural sciences. Various physical systems, such as those arising in cell biology, are inherently high-dimensional and stochastic in nature, and admit only partial, noisy state measurements. This poses a significant challenge for addressing the problems of modeling the underlying dynamics and inferring the network structure of these systems. Existing methods are typically tailored either for structure learning or modeling dynamics at the population level, but are limited in their ability to address both problems together. In this work, we address both problems simultaneously: we present StructureFlow, a novel and principled simulation-free approach for jointly learning the structure and stochastic population dynamics of physical systems. We showcase the utility of StructureFlow for the tasks of structure learning from interventions and dynamical (trajectory) inference of conditional population dynamics. We empirically evaluate our approach on high-dimensional synthetic systems, a set of biologically plausible simulated systems, and an experimental single-cell dataset. We show that StructureFlow can learn the structure of underlying systems while simultaneously modeling their conditional population dynamics -- a key step toward the mechanistic understanding of systems behavior.
Authors: Azam Shirali, Giri Narasimhan
Abstract: Protein-protein docking tools help in studying interactions between proteins, and are essential for drug, vaccine, and therapeutic development. However, the accuracy of a docking tool depends on a robust scoring function that can reliably differentiate between native and non-native complexes. PIsToN is a state-of-the-art deep learning-based scoring function that uses Vision Transformers in its architecture. Recently, the Mamba architecture has demonstrated exceptional performance in both natural language processing and computer vision, often outperforming Transformer-based models in their domains. In this study, we introduce PUMBA (Protein-protein interface evaluation with Vision Mamba), which improves PIsToN by replacing its Vision Transformer backbone with Vision Mamba. This change allows us to leverage Mamba's efficient long-range sequence modeling for sequences of image patches. As a result, the model's ability to capture both global and local patterns in protein-protein interface features is significantly improved. Evaluation on several widely-used, large-scale public datasets demonstrates that PUMBA consistently outperforms its original Transformer-based predecessor, PIsToN.
Authors: Anindya Sarkar, Binglin Ji, Yevgeniy Vorobeychik
Abstract: In many scientific and engineering fields, where acquiring high-quality data is expensive--such as medical imaging, environmental monitoring, and remote sensing--strategic sampling of unobserved regions based on prior observations is crucial for maximizing discovery rates within a constrained budget. The rise of powerful generative models, such as diffusion models, has enabled active target discovery in partially observable environments by leveraging learned priors--probabilistic representations that capture underlying structure from data. With guidance from sequentially gathered task-specific observations, these models can progressively refine exploration and efficiently direct queries toward promising regions. However, in domains where learning a strong prior is infeasible due to extremely limited data or high sampling cost (such as rare species discovery, diagnostics for emerging diseases, etc.), these methods struggle to generalize. To overcome this limitation, we propose a novel approach that enables effective active target discovery even in settings with uninformative priors, ensuring robust exploration and adaptability in complex real-world scenarios. Our framework is theoretically principled and draws inspiration from neuroscience to guide its design. Unlike black-box policies, our approach is inherently interpretable, providing clear insights into decision-making. Furthermore, it guarantees a strong, monotonic improvement in prior estimates with each new observation, leading to increasingly accurate sampling and reinforcing both reliability and adaptability in dynamic settings. Through comprehensive experiments and ablation studies across various domains, including species distribution modeling and remote sensing, we demonstrate that our method substantially outperforms baseline approaches.
Authors: Ran Tong, Jiaqi Liu, Su Liu, Xin Hu, Lanruo Wang
Abstract: We present a compact, strictly causal benchmark for streaming clinical time series on the MIT--BIH Arrhythmia Database using per-second heart rate. Two tasks are studied under record-level, non-overlapping splits: near-term tachycardia risk (next ten seconds) and one-step heart rate forecasting. We compare a GRU-D (RNN) and a Transformer under matched training budgets against strong non-learned baselines. Evaluation is calibration-aware for classification and proper for forecasting, with temperature scaling and grouped bootstrap confidence intervals. On MIT-BIH, GRU-D slightly surpasses the Transformer for tachycardia risk, while the Transformer clearly lowers forecasting error relative to GRU-D and persistence. Our results show that, in longitudinal monitoring, model choice is task-dependent: compact RNNs remain competitive for short-horizon risk scoring, whereas compact Transformers deliver clearer gains for point forecasting.
Authors: Shurong Lin, Eric D. Kolaczyk, Adam Smith, Elliot Paquette
Abstract: The interplay between optimization and privacy has become a central theme in privacy-preserving machine learning. Noisy stochastic gradient descent (SGD) has emerged as a cornerstone algorithm, particularly in large-scale settings. These variants of gradient methods inject carefully calibrated noise into each update to achieve differential privacy, the gold standard notion of rigorous privacy guarantees. Prior work primarily provides various bounds on statistical risk and privacy loss for noisy SGD, yet the \textit{exact} behavior of the process remains unclear, particularly in high-dimensional settings. This work leverages a diffusion approach to analyze noisy SGD precisely, providing a continuous-time perspective that captures both statistical risk evolution and privacy loss dynamics in high dimensions. Moreover, we study a variant of noisy SGD that does not require explicit knowledge of gradient sensitivity, unlike existing work that assumes or enforces sensitivity through gradient clipping. Specifically, we focus on the least squares problem with $\ell_2$ regularization.
Authors: Anthony DiMaggio, Raghav Sharma, Gururaj Saileshwar
Abstract: Secure federated learning (FL) preserves data privacy during distributed model training. However, deploying such frameworks across heterogeneous devices results in performance bottlenecks, due to straggler clients with limited computational or network capabilities, slowing training for all participating clients. This paper introduces the first straggler mitigation technique for secure aggregation with deep neural networks. We propose CLIP, a client-side invariant neuron pruning technique coupled with network-aware pruning, that addresses compute and network bottlenecks due to stragglers during training with minimal accuracy loss. Our technique accelerates secure FL training by 13% to 34% across multiple datasets (CIFAR10, Shakespeare, FEMNIST) with an accuracy impact of between 1.3% improvement to 2.6% reduction.
Authors: Iman Deznabi, Peeyush Kumar, Madalina Fiterau
Abstract: Zero-shot forecasting aims to predict outcomes for previously unseen conditions without direct historical data, posing a significant challenge for traditional forecasting methods. We introduce a Resolution-Aware Retrieval-Augmented Forecasting model that enhances predictive accuracy by leveraging spatial correlations and temporal frequency characteristics. By decomposing signals into different frequency components, our model employs resolution-aware retrieval, where lower-frequency components rely on broader spatial context, while higher-frequency components focus on local influences. This allows the model to dynamically retrieve relevant data and adapt to new locations with minimal historical context. Applied to microclimate forecasting, our model significantly outperforms traditional forecasting methods, numerical weather prediction models, and modern foundation time series models, achieving 71% lower MSE than HRRR and 34% lower MSE than Chronos on the ERA5 dataset. Our results highlight the effectiveness of retrieval-augmented and resolution-aware strategies, offering a scalable and data-efficient solution for zero-shot forecasting in microclimate modeling and beyond.
Authors: Yizuo Chen, Adnan Darwiche
Abstract: The classical notion of causal effect identifiability is defined in terms of treatment and outcome variables. In this note, we consider the identifiability of state-based causal effects: how an intervention on a particular state of treatment variables affects a particular state of outcome variables. We demonstrate that state-based causal effects may be identifiable even when variable-based causal effects may not. Moreover, we show that this separation occurs only when additional knowledge -- such as context-specific independencies and conditional functional dependencies -- is available. We further examine knowledge that constrains the states of variables, and show that such knowledge does not improve identifiability on its own but can improve both variable-based and state-based identifiability when combined with other knowledge such as context-specific independencies. Our findings highlight situations where causal effects of interest may be estimable from observational data and this identifiability may be missed by existing variable-based frameworks.
Authors: Zak Ressler, Marcus Grijalva, Angelica Marie Ignacio, Melanie Torres, Abelardo Cuadra Rojas, Rohollah Moghadam, Mohammad Rasoul narimani
Abstract: This paper presents a framework for processing EV charging load data in order to forecast future load predictions using a Recurrent Neural Network, specifically an LSTM. The framework processes a large set of raw data from multiple locations and transforms it with normalization and feature extraction to train the LSTM. The pre-processing stage corrects for missing or incomplete values by interpolating and normalizing the measurements. This information is then fed into a Long Short-Term Memory Model designed to capture the short-term fluctuations while also interpreting the long-term trends in the charging data. Experimental results demonstrate the model's ability to accurately predict charging demand across multiple time scales (daily, weekly, and monthly), providing valuable insights for infrastructure planning, energy management, and grid integration of EV charging facilities. The system's modular design allows for adaptation to different charging locations with varying usage patterns, making it applicable across diverse deployment scenarios.
Authors: Viktoria Schram, Markus Hiller, Daniel Beck, Trevor Cohn
Abstract: The prediction of learning curves for Natural Language Processing (NLP) models enables informed decision-making to meet specific performance objectives, while reducing computational overhead and lowering the costs associated with dataset acquisition and curation. In this work, we formulate the prediction task as a multitask learning problem, where each task's data is modelled as being organized within a two-layer hierarchy. To model the shared information and dependencies across tasks and hierarchical levels, we employ latent variable multi-output Gaussian Processes, enabling to account for task correlations and supporting zero-shot prediction of learning curves (LCs). We demonstrate that this approach facilitates the development of probabilistic scaling laws at lower costs. Applying an active learning strategy, LCs can be queried to reduce predictive uncertainty and provide predictions close to ground truth scaling laws. We validate our framework on three small-scale NLP datasets with up to $30$ LCs. These are obtained from nanoGPT models, from bilingual translation using mBART and Transformer models, and from multilingual translation using M2M100 models of varying sizes.
Authors: Danish Nazir, Gowtham Sai Inti, Timo Bartels, Jan Piewek, Thorsten Bagdonat, Tim Fingscheidt
Abstract: Modern automotive systems leverage deep neural networks (DNNs) for semantic segmentation and operate in two key application areas: (1) In-car, where the DNN solely operates in the vehicle without strict constraints on the data rate. (2) Distributed, where one DNN part operates in the vehicle and the other part typically on a large-scale cloud platform with a particular constraint on transmission bitrate efficiency. Typically, both applications share an image and source encoder, while each uses distinct (joint) source and task decoders. Prior work utilized convolutional neural networks for joint source and task decoding but did not investigate transformer-based alternatives such as SegDeformer, which offer superior performance at the cost of higher computational complexity. In this work, we propose joint feature and task decoding for SegDeformer, thereby enabling lower computational complexity in both in-car and distributed applications, despite SegDeformer's computational demands. This improves scalability in the cloud while reducing in-car computational complexity. For the in-car application, we increased the frames per second (fps) by up to a factor of $11.7$ ($1.4$ fps to $16.5$ fps) on Cityscapes and by up to a factor of $3.5$ ($43.3$ fps to $154.3$ fps) on ADE20K, while being on-par w.r.t.\ the mean intersection over union (mIoU) of the transformer-based baseline that doesn't compress by a source codec. For the distributed application, we achieve state-of-the-art (SOTA) over a wide range of bitrates on the mIoU metric, while using only $0.14$\% ($0.04$\%) of cloud DNN parameters used in previous SOTA, reported on ADE20K (Cityscapes).
Authors: Young In Kim, Andrea Agiollo, Rajiv Khanna
Abstract: Modern machine learning solutions require extensive data collection where labeling remains costly. To reduce this burden, open set active learning approaches aim to select informative samples from a large pool of unlabeled data that includes irrelevant or unknown classes. In this context, we propose Sharpness Aware Minimization for Open Set Active Learning (SAMOSA) as an effective querying algorithm. Building on theoretical findings concerning the impact of data typicality on the generalization properties of traditional stochastic gradient descent (SGD) and sharpness-aware minimization (SAM), SAMOSA actively queries samples based on their typicality. SAMOSA effectively identifies atypical samples that belong to regions of the embedding manifold close to the model decision boundaries. Therefore, SAMOSA prioritizes the samples that are (i) highly informative for the targeted classes, and (ii) useful for distinguishing between targeted and unwanted classes. Extensive experiments show that SAMOSA achieves up to 3% accuracy improvement over the state of the art across several datasets, while not introducing computational overhead. The source code of our experiments is available at: https://anonymous.4open.science/r/samosa-DAF4
Authors: Yuguang Yue, Irakli Salia, Samuel Hunt, Christopher Green, Wenzhe Shi, Jonathan J Hunt
Abstract: We argue that 3-D first-person video games are a challenging environment for real-time multi-modal reasoning. We first describe our dataset of human game-play, collected across a large variety of 3-D first-person games, which is both substantially larger and more diverse compared to prior publicly disclosed datasets, and contains text instructions. We demonstrate that we can learn an inverse dynamics model from this dataset, which allows us to impute actions on a much larger dataset of publicly available videos of human game play that lack recorded actions. We then train a text-conditioned agent for game playing using behavior cloning, with a custom architecture capable of realtime inference on a consumer GPU. We show the resulting model is capable of playing a variety of 3-D games and responding to text input. Finally, we outline some of the remaining challenges such as long-horizon tasks and quantitative evaluation across a large set of games.
Authors: Chang Wu, Zhiyuan Liu, Wen Shu, Liang Wang, Yanchen Luo, Wenqiang Lei, Yatao Bian, Junfeng Fang, Xiang Wang
Abstract: Masked graph modeling (MGM) is a promising approach for molecular representation learning (MRL).However, extending the success of re-mask decoding from 2D to 3D MGM is non-trivial, primarily due to two conflicting challenges: avoiding 2D structure leakage to the decoder, while still providing sufficient 2D context for reconstructing re-masked atoms.To address these challenges, we propose 3D-GSRD: a 3D Molecular Graph Auto-Encoder with Selective Re-mask Decoding. The core innovation of 3D-GSRD lies in its Selective Re-mask Decoding(SRD), which re-masks only 3D-relevant information from encoder representations while preserving the 2D graph structures.This SRD is synergistically integrated with a 3D Relational-Transformer(3D-ReTrans) encoder alongside a structure-independent decoder. We analyze that SRD, combined with the structure-independent decoder, enhances the encoder's role in MRL. Extensive experiments show that 3D-GSRD achieves strong downstream performance, setting a new state-of-the-art on 7 out of 8 targets in the widely used MD17 molecular property prediction benchmark. The code is released at https://github.com/WuChang0124/3D-GSRD.
Authors: Mariam Rakka, Marios Fournarakis, Olga Krestinskaya, Jinane Bazzi, Khaled N. Salama, Fadi Kurdahi, Ahmed M. Eltawil, Mohammed E. Fouda
Abstract: The rapid scaling of language models (LMs) has resulted in unprecedented computational, memory, and energy requirements, making their training and deployment increasingly unsustainable. Quantization has emerged as an essential compression technique to reduce model size, alleviate memory bottlenecks, and accelerate inference. However, while uniform low-bit quantization (e.g., INT8, INT4) provides significant efficiency gains, it can degrade accuracy in sensitive components of transformer-based LMs. Mixed-precision quantization offers a promising alternative by selectively allocating precision across layers or within tensors to balance efficiency and accuracy. This survey provides a comprehensive overview of Mixed-Precision quantization frameworks for LMs (MXPLMs). We first review quantization fundamentals, including uniform and non-uniform quantizers, quantization granularity, and methods widely used in post-training quantization. We then categorize and compare recent MXPLM frameworks according to their bit allocation strategies and precision configurations across weights, activations, and key-value caches. A comparative analysis highlights differences in perplexity, zero-shot task performance, and deployment trade-offs. Furthermore, we contrast MXPLMs with earlier mixed-precision quantization methods for deep neural networks, identifying strategies that transfer and those that face challenges in the LM setting. Finally, we summarize open issues and future directions, including hardware-aware design, activation quantization, and scalable optimization methods for billion-parameter models. By consolidating recent advances, this work serves as a reference for understanding the current landscape and research prospects of mixed-precision quantization for large-scale language models.
Authors: Weilin Wan, Weizhong Zhang, Cheng Jin
Abstract: Data selection improves computational efficiency by choosing informative subsets of training samples. However, existing methods ignore the compute budget, treating data selection and importance evaluation independently of compute budget constraints. Yet empirical studies show no algorithm can consistently outperform others (or even random selection) across varying budgets. We therefore argue that compute budget must be integral to data-selection strategies, since different budgets impose distinct requirements on data quantity, quality, and distribution for effective training. To this end, we propose a novel Computational budget-Aware Data Selection (CADS) method and naturally formulate it into a bilevel optimization framework, where the inner loop trains the model within the constraints of the computational budget on some selected subset of training data, while the outer loop optimizes data selection based on model evaluation. Our technical contributions lie in addressing two main challenges in solving this bilevel optimization problem: the expensive Hessian matrix estimation for outer-loop gradients and the computational burden of achieving inner-loop optimality during iterations. To solve the first issue, we propose a probabilistic reparameterization strategy and compute the gradient using a Hessian-free policy gradient estimator. To address the second challenge, we transform the inner optimization problem into a penalty term in the outer objective, further discovering that we only need to estimate the minimum of a one-dimensional loss to calculate the gradient, significantly improving efficiency. Extensive experiments show that our method achieves performance gains of up to 14.42% over baselines in vision and language benchmarks.
Authors: Zhoutong Wu, Yuan Zhang, Yiming Dong, Chenheng Zhang, Cong Fang, Kun Yuan, Zhouchen Lin
Abstract: Transformer models have driven breakthroughs across various language tasks by their strong capability to learn rich contextual representations. Scaling them to improve representation, however, often demands substantial memory and compute costs, such as the Key-Value (KV) cache used during auto-regressive decoding. Skip connections offer a promising way to improve representation without bloating resource usage, yet most prior works either improve expressivity while leaving KV costs unchanged, or reduce memory at the cost of weaker representation. In this work, we propose SkipV1Former, a Transformer variant that uses skip connections from the first layer's Value heads to strengthen model representation and reduce KV cache. Specifically, from the second block onward, each layer reuses half of its Value heads from the very first layer, while computing the other half as usual-cutting Value projections and V cache by nearly 50 \%. Theoretically, we show that routing uncompressed first-layer Values into deeper layers restores information lost to compression and accelerates the model's implicit mesa-optimization-a key pattern of Transformer in auto-regressive tasks. Empirically, across different model scales, SkipV1Former delivers consistent reductions of approximately 25 \% in KV cache while improving perplexity relative to standard Multi-Head Attention (MHA) Transformers and some advanced variants. Moreover, we propose a recipe for uptraining existing MHA Transformer checkpoints to SkipV1Former with only 10-15\% additional compute. Finally, SkipV1Former can seamlessly combine advanced methods like Group-Query Attention and Multi-Latent Attention to achieve further KV cache savings and performance improvement. When combined with YOCO, it cuts KV cache size by nearly 50 \% while still improving performance.
Authors: Mohammad Shahverdikondori, Jalal Etesami, Negar Kiyavash
Abstract: We study regret minimization in causal bandits under causal sufficiency where the underlying causal structure is not known to the agent. Previous work has focused on identifying the reward's parents and then applying classic bandit methods to them, or jointly learning the parents while minimizing regret. We investigate whether such strategies are optimal. Somewhat counterintuitively, our results show that learning the parent set is suboptimal. We do so by proving that there exist instances where regret minimization and parent identification are fundamentally conflicting objectives. We further analyze both the known and unknown parent set size regimes, establish novel regret lower bounds that capture the combinatorial structure of the action space. Building on these insights, we propose nearly optimal algorithms that bypass graph and parent recovery, demonstrating that parent identification is indeed unnecessary for regret minimization. Experiments confirm that there exists a large performance gap between our method and existing baselines in various environments.
Authors: Simon Jaxy, Anton Theys, Patrick Willett, W. Chris Carleton, Ralf Vandam, Pieter Libin
Abstract: Archaeological predictive modelling estimates where undiscovered sites are likely to occur by combining known locations with environmental, cultural, and geospatial variables. We address this challenge using a deep learning approach but must contend with structural label scarcity inherent to archaeology: positives are rare, and most locations are unlabeled. To address this, we adopt a semi-supervised, positive-unlabeled (PU) learning strategy, implemented as a semantic segmentation model and evaluated on two datasets covering a representative range of archaeological periods. Our approach employs dynamic pseudolabeling, refined with a Conditional Random Field (CRF) implemented via an RNN, increasing label confidence under severe class imbalance. On a geospatial dataset derived from a digital elevation model (DEM), our model performs on par with the state-of-the-art, LAMAP, while achieving higher Dice scores. On raw satellite imagery, assessed end-to-end with stratified k-fold cross-validation, it maintains performance and yields predictive surfaces with improved interpretability. Overall, our results indicate that semi-supervised learning offers a promising approach to identifying undiscovered sites across large, sparsely annotated landscapes.
Authors: Ming Zhong, Zhenya Yan
Abstract: Neural operators offer a powerful data-driven framework for learning mappings between function spaces, in which the transformer-based neural operator architecture faces a fundamental scalability-accuracy trade-off: softmax attention provides excellent fidelity but incurs quadratic complexity $\mathcal{O}(N^2 d)$ in the number of mesh points $N$ and hidden dimension $d$, while linear attention variants reduce cost to $\mathcal{O}(N d^2)$ but often suffer significant accuracy degradation. To address the aforementioned challenge, in this paper, we present a novel type of neural operators, Linear Attention Neural Operator (LANO), which achieves both scalability and high accuracy by reformulating attention through an agent-based mechanism. LANO resolves this dilemma by introducing a compact set of $M$ agent tokens $(M \ll N)$ that mediate global interactions among $N$ tokens. This agent attention mechanism yields an operator layer with linear complexity $\mathcal{O}(MN d)$ while preserving the expressive power of softmax attention. Theoretically, we demonstrate the universal approximation property, thereby demonstrating improved conditioning and stability properties. Empirically, LANO surpasses current state-of-the-art neural PDE solvers, including Transolver with slice-based softmax attention, achieving average $19.5\%$ accuracy improvement across standard benchmarks. By bridging the gap between linear complexity and softmax-level performance, LANO establishes a scalable, high-accuracy foundation for scientific machine learning applications.
Authors: Doyoon Kim, Junbin Song
Abstract: We propose an enhanced physics-informed neural network (PINN), the Trace Regularity Physics-Informed Neural Network (TRPINN), which enforces the boundary loss in the Sobolev-Slobodeckij norm $H^{1/2}(\partial \Omega)$, the correct trace space associated with $H^1(\Omega)$. We reduce computational cost by computing only the theoretically essential portion of the semi-norm and enhance convergence stability by avoiding denominator evaluations in the discretization. By incorporating the exact $H^{1/2}(\partial \Omega)$ norm, we show that the approximation converges to the true solution in the $H^{1}(\Omega)$ sense, and, through Neural Tangent Kernel (NTK) analysis, we demonstrate that TRPINN can converge faster than standard PINNs. Numerical experiments on the Laplace equation with highly oscillatory Dirichlet boundary conditions exhibit cases where TRPINN succeeds even when standard PINNs fail, and show performance improvements of one to three decimal digits.
Authors: Thomas Dooms, Ward Gauderis
Abstract: Sparse autoencoders are a standard tool for uncovering interpretable latent representations in neural networks. Yet, their interpretation depends on the inputs, making their isolated study incomplete. Polynomials offer a solution; they serve as algebraic primitives that can be analysed without reference to input and can describe structures ranging from linear concepts to complicated manifolds. This work uses bilinear autoencoders to efficiently decompose representations into quadratic polynomials. We discuss improvements that induce importance ordering, clustering, and activation sparsity. This is an initial step toward nonlinear yet analysable latents through their algebraic properties.
Authors: Yingxu Wang, Kunyu Zhang, Jiaxin Huang, Nan Yin, Siwei Liu, Eran Segal
Abstract: Multimodal molecular representation learning, which jointly models molecular graphs and their textual descriptions, enhances predictive accuracy and interpretability by enabling more robust and reliable predictions of drug toxicity, bioactivity, and physicochemical properties through the integration of structural and semantic information. However, existing multimodal methods suffer from two key limitations: (1) they typically perform cross-modal interaction only at the final encoder layer, thus overlooking hierarchical semantic dependencies; (2) they lack a unified prototype space for robust alignment between modalities. To address these limitations, we propose ProtoMol, a prototype-guided multimodal framework that enables fine-grained integration and consistent semantic alignment between molecular graphs and textual descriptions. ProtoMol incorporates dual-branch hierarchical encoders, utilizing Graph Neural Networks to process structured molecular graphs and Transformers to encode unstructured texts, resulting in comprehensive layer-wise representations. Then, ProtoMol introduces a layer-wise bidirectional cross-modal attention mechanism that progressively aligns semantic features across layers. Furthermore, a shared prototype space with learnable, class-specific anchors is constructed to guide both modalities toward coherent and discriminative representations. Extensive experiments on multiple benchmark datasets demonstrate that ProtoMol consistently outperforms state-of-the-art baselines across a variety of molecular property prediction tasks.
Authors: Jiyan Qiu, Lyulin Kuang, Guan Wang, Yichen Xu, Leiyao Cui, Shaotong Fu, Yixin Zhu, Ruihua Zhang
Abstract: Vehicle aerodynamics optimization has become critical for automotive electrification, where drag reduction directly determines electric vehicle range and energy efficiency. Traditional approaches face an intractable trade-off: computationally expensive Computational Fluid Dynamics (CFD) simulations requiring weeks per design iteration, or simplified models that sacrifice production-grade accuracy. While machine learning offers transformative potential, existing datasets exhibit fundamental limitations -- inadequate mesh resolution, missing vehicle components, and validation errors exceeding 5% -- preventing deployment in industrial workflows. We present DrivAerStar, comprising 12,000 industrial-grade automotive CFD simulations generated using $\text{STAR-CCM+}^\unicode{xAE}$ software. The dataset systematically explores three vehicle configurations through 20 Computer Aided Design (CAD) parameters via Free Form Deformation (FFD) algorithms, including complete engine compartments and cooling systems with realistic internal airflow. DrivAerStar achieves wind tunnel validation accuracy below 1.04% -- a five-fold improvement over existing datasets -- through refined mesh strategies with strict wall $y^+$ control. Benchmarks demonstrate that models trained on this data achieve production-ready accuracy while reducing computational costs from weeks to minutes. This represents the first dataset bridging academic machine learning research and industrial CFD practice, establishing a new standard for data-driven aerodynamic optimization in automotive development. Beyond automotive applications, DrivAerStar demonstrates a paradigm for integrating high-fidelity physics simulations with Artificial Intelligence (AI) across engineering disciplines where computational constraints currently limit innovation.
Authors: Heming Zou, Yunliang Zang, Wutong Xu, Xiangyang Ji
Abstract: Using a nearly-frozen pretrained model, the continual representation learning paradigm reframes parameter updates as a similarity-matching problem to mitigate catastrophic forgetting. However, directly leveraging pretrained features for downstream tasks often suffers from multicollinearity in the similarity-matching stage, and more advanced methods can be computationally prohibitive for real-time, low-latency applications. Inspired by the fly olfactory circuit, we propose Fly-CL, a bio-inspired framework compatible with a wide range of pretrained backbones. Fly-CL substantially reduces training time while achieving performance comparable to or exceeding that of current state-of-the-art methods. We theoretically show how Fly-CL progressively resolves multicollinearity, enabling more effective similarity matching with low time complexity. Extensive simulation experiments across diverse network architectures and data regimes validate Fly-CL's effectiveness in addressing this challenge through a biologically inspired design. Code is available at https://github.com/gfyddha/Fly-CL.
Authors: Heming Zou, Yixiu Mao, Yun Qu, Qi Wang, Xiangyang Ji
Abstract: Supervised fine-tuning (SFT) is a commonly used technique to adapt large language models (LLMs) to downstream tasks. In practice, SFT on a full dataset is computationally expensive and sometimes suffers from overfitting or bias amplification. This facilitates the rise of data curation in SFT, which prioritizes the most valuable data to optimze. This work studies the online batch selection family that dynamically scores and filters samples during the training process. However, existing popular methods often (i) rely merely on the utility of data to select a subset while neglecting other crucial factors like diversity, (ii) rely on external resources such as reference models or validation sets, and (iii) incur extra training time over full-dataset training. To address these limitations, this work develops \textbf{UDS (Utility-Diversity Sampling)}, a framework for efficient online batch selection in SFT. UDS leverages the nuclear norm of the logits matrix to capture both data utility and intra-sample diversity, while estimating inter-sample diversity through efficient low-dimensional embedding comparisons with a lightweight memory buffer of historical samples. Such a design eliminates the need for external resources and unnecessary backpropagation, securing computational efficiency. Experiments on multiple benchmarks demonstrate that UDS consistently outperforms state-of-the-art online batch selection methods under varying data budgets, and significantly reduces training time compared to full-dataset fine-tuning. Code is available at https://github.com/gfyddha/UDS.
Authors: Duo Wang, Yuan Zuo, Guangyue Lu, Junjie Wu
Abstract: Generalizing to unseen graph tasks without task-specific supervision is challenging: conventional graph neural networks are typically tied to a fixed label space, while large language models (LLMs) struggle to capture graph structure. We introduce UniGTE, an instruction-tuned encoder-decoder framework that unifies structural and semantic reasoning. The encoder augments a pretrained autoregressive LLM with learnable alignment tokens and a structure-aware graph-text attention mechanism, enabling it to attend jointly to a tokenized graph and a natural-language task prompt while remaining permutation-invariant to node order. This yields compact, task-aware graph representations. Conditioned solely on these representations, a frozen LLM decoder predicts and reconstructs: it outputs the task answer and simultaneously paraphrases the input graph in natural language. The reconstruction objective regularizes the encoder to preserve structural cues. UniGTE is instruction-tuned on five datasets spanning node-level, edge-level, and graph-level tasks across diverse domains, yet requires no fine-tuning at inference. It achieves new state-of-the-art zero-shot results on node classification, link prediction, graph classification, and graph regression under cross-task and cross-domain settings, demonstrating that tight integration of graph structure with LLM semantics enables robust, transferable graph reasoning.
Authors: Jose Siguenza, Bharath Ramsundar
Abstract: Neural networks that incorporate geometric relationships respecting SE(3) group transformations (e.g. rotations and translations) are increasingly important in molecular applications, such as molecular property prediction, protein structure modeling, and materials design. These models, known as SE(3)-equivariant neural networks, ensure outputs transform predictably with input coordinate changes by explicitly encoding spatial atomic positions. Although libraries such as E3NN [4] and SE(3)-TRANSFORMER [3 ] offer powerful implementations, they often require substantial deep learning or mathematical prior knowledge and lack complete training pipelines. We extend DEEPCHEM [ 13] with support for ready-to-use equivariant models, enabling scientists with minimal deep learning background to build, train, and evaluate models, such as SE(3)-Transformer and Tensor Field Networks. Our implementation includes equivariant models, complete training pipelines, and a toolkit of equivariant utilities, supported with comprehensive tests and documentation, to facilitate both application and further development of SE(3)-equivariant models.
Authors: Salih Salihoglu, Ibrahim Ahmed, Afshin Asadi
Abstract: Accurate prediction of electricity prices is crucial for stakeholders in the energy market, particularly for grid operators, energy producers, and consumers. This study focuses on developing a predictive model leveraging Long Short-Term Memory (LSTM) networks to forecast day-ahead electricity prices in the California energy market. The model incorporates a variety of features, including historical price data, weather conditions, and the energy generation mix. A novel custom loss function that integrates Mean Absolute Error (MAE), Jensen-Shannon Divergence (JSD), and a smoothness penalty is introduced to enhance the prediction accuracy and interpretability. Additionally, an online learning approach is implemented to allow the model to adapt to new data incrementally, ensuring continuous relevance and accuracy. The results demonstrate that the custom loss function can improve the model's performance, aligning predicted prices more closely with actual values, particularly during peak intervals. Also, the online learning model outperforms other models by effectively incorporating real-time data, resulting in lower prediction error and variability. The inclusion of the energy generation mix further enhances the model's predictive capabilities, highlighting the importance of comprehensive feature integration. This research provides a robust framework for electricity price forecasting, offering valuable insights and tools for better decision-making in dynamic electricity markets.
Authors: Dun Liu, Qin Pang, Guangai Liu, Hongyu Mou, Jipeng Fan, Yiming Miao, Pin-Han Ho, Limei Peng
Abstract: The effectiveness of artificial intelligence (AI) in healthcare is significantly hindered by unstructured clinical documentation, which results in noisy, inconsistent, and logically fragmented training data. To address this challenge, we present a knowledge-driven framework that integrates the standardized clinical terminology SNOMED CT with the Neo4j graph database to construct a structured medical knowledge graph. In this graph, clinical entities such as diseases, symptoms, and medications are represented as nodes, and semantic relationships such as ``caused by,'' ``treats,'' and ``belongs to'' are modeled as edges in Neo4j, with types mapped from formal SNOMED CT relationship concepts (e.g., \texttt{Causative agent}, \texttt{Indicated for}). This design enables multi-hop reasoning and ensures terminological consistency. By extracting and standardizing entity-relationship pairs from clinical texts, we generate structured, JSON-formatted datasets that embed explicit diagnostic pathways. These datasets are used to fine-tune large language models (LLMs), significantly improving the clinical logic consistency of their outputs. Experimental results demonstrate that our knowledge-guided approach enhances the validity and interpretability of AI-generated diagnostic reasoning, providing a scalable solution for building reliable AI-assisted clinical systems.
Authors: Sarah Al-Shareeda, Gulcihan Ozdemir, Heung Seok Jeon, Khaleel Ahmad
Abstract: How can short-term energy consumption be accurately forecasted when sensor data is noisy, incomplete, and lacks contextual richness? This question guided our participation in the \textit{2025 Competition on Electric Energy Consumption Forecast Adopting Multi-criteria Performance Metrics}, which challenged teams to predict next-day power demand using real-world high-frequency data. We proposed a robust yet lightweight Deep Learning (DL) pipeline combining hourly downsizing, dual-mode imputation (mean and polynomial regression), and comprehensive normalization, ultimately selecting Standard Scaling for optimal balance. The lightweight GRU-LSTM sequence-to-one model achieves an average RMSE of 601.9~W, MAE of 468.9~W, and 84.36\% accuracy. Despite asymmetric inputs and imputed gaps, it generalized well, captured nonlinear demand patterns, and maintained low inference latency. Notably, spatiotemporal heatmap analysis reveals a strong alignment between temperature trends and predicted consumption, further reinforcing the model's reliability. These results demonstrate that targeted preprocessing paired with compact recurrent architectures can still enable fast, accurate, and deployment-ready energy forecasting in real-world conditions.
Authors: Hongwei Yan, Guanglong Sun, Zhiqi Kang, Yi Zhong, Liyuan Wang
Abstract: To adapt effectively to dynamic real-world environments, intelligent systems must continually acquire new skills while generalizing them to diverse, unseen scenarios. Here, we introduce a novel and realistic setting named domain generalizable continual learning (DGCL): a model learns sequential tasks with each involving a single domain, aiming to perform well across all encountered tasks and domains. This setting poses unique challenges in acquiring, retaining, and leveraging both semantic- and domain-relevant information for robust generalization. Although state-of-the-art continual learning (CL) methods have employed pre-trained models (PTMs) to enhance task-specific generalization, they typically assume identical training and testing domains for each task and therefore perform poorly in DGCL. To this end, we propose adaptive Domain Transformation (DoT), an innovative PTMs-based approach tailored to DGCL. Inspired by the distributed-plus-hub theory of the human brain, DoT disentangles semantic- and domain-relevant information in representation learning, and adaptively transforms task representations across various domains for output alignment, ensuring balanced and generalized predictions. DoT serves as a plug-in strategy that greatly facilitates state-of-the-art CL baselines under both full parameter tuning and parameter-efficient tuning paradigms in DGCL, validated by extensive experiments. Also, DoT is shown to accumulate domain-generalizable knowledge from DGCL, and ensure resource efficiency with a lightweight implementation.
Authors: Dong Li, Xujiang Zhao, Linlin Yu, Yanchi Liu, Wei Cheng, Zhengzhang Chen, Zhong Chen, Feng Chen, Chen Zhao, Haifeng Chen
Abstract: Large Language Models (LLMs) offer promising capabilities for tackling complex reasoning tasks, including optimization problems. However, existing methods either rely on prompt engineering, which leads to poor generalization across problem types, or require costly supervised training. We introduce SolverLLM, a training-free framework that leverages test-time scaling to solve diverse optimization problems. Rather than solving directly, SolverLLM generates mathematical formulations and translates them into solver-ready code, guided by a novel Monte Carlo Tree Search (MCTS) strategy. To enhance the search process, we modify classical MCTS with (1) dynamic expansion for adaptive formulation generation, (2) prompt backpropagation to guide exploration via outcome-driven feedback, and (3) uncertainty backpropagation to incorporate reward reliability into decision-making. Experiments on six standard benchmark datasets demonstrate that SolverLLM outperforms both prompt-based and learning-based baselines, achieving strong generalization without additional training.
Authors: Egor Petrov, Nikita Kiselev, Vladislav Meshkov, Andrey Grabovoy
Abstract: The lack of theoretical results for Layer Normalization and feedforward Hessians has left a gap in the study of Transformer optimization landscapes. We address this by deriving explicit second-order expressions for these components, thereby completing the Hessian characterization of full Transformer blocks. Our results generalize prior self-attention analyses and yield estimations for the role of each sublayer in curvature propagation. We demonstrate how these Hessian structures inform both convergence dynamics and the empirical scaling laws governing large-model performance. Further, we propose a Taylor-expansion-based framework for analyzing loss differences to quantify convergence trajectories. By extending Hessian theory to the full Transformer architecture, this work establishes a new foundation for theoretical and empirical investigations of optimization in large-scale deep learning.
Authors: Cristian J. Vaca-Rubio, Roberto Pereira, Luis Blanco, Engin Zeydan, M\`arius Caus
Abstract: This work introduces Probabilistic Kolmogorov-Arnold Network (P-KAN), a novel probabilistic extension of Kolmogorov-Arnold Networks (KANs) for time series forecasting. By replacing scalar weights with spline-based functional connections and directly parameterizing predictive distributions, P-KANs offer expressive yet parameter-efficient models capable of capturing nonlinear and heavy-tailed dynamics. We evaluate P-KANs on satellite traffic forecasting, where uncertainty-aware predictions enable dynamic thresholding for resource allocation. Results show that P-KANs consistently outperform Multi Layer Perceptron (MLP) baselines in both accuracy and calibration, achieving superior efficiency-risk trade-offs while using significantly fewer parameters. We build up P-KANs on two distributions, namely Gaussian and Student-t distributions. The Gaussian variant provides robust, conservative forecasts suitable for safety-critical scenarios, whereas the Student-t variant yields sharper distributions that improve efficiency under stable demand. These findings establish P-KANs as a powerful framework for probabilistic forecasting with direct applicability to satellite communications and other resource-constrained domains.
Authors: Dania Refai, Moataz Ahmed
Abstract: Large language models (LLMs) are increasingly used to convert natural language descriptions into mathematical optimization formulations. Current evaluations often treat formulations as a whole, relying on coarse metrics like solution accuracy or runtime, which obscure structural or numerical errors. In this study, we present a comprehensive, component-level evaluation framework for LLM-generated formulations. Beyond the conventional optimality gap, our framework introduces metrics such as precision and recall for decision variables and constraints, constraint and objective root mean squared error (RMSE), and efficiency indicators based on token usage and latency. We evaluate GPT-5, LLaMA 3.1 Instruct, and DeepSeek Math across optimization problems of varying complexity under six prompting strategies. Results show that GPT-5 consistently outperforms other models, with chain-of-thought, self-consistency, and modular prompting proving most effective. Analysis indicates that solver performance depends primarily on high constraint recall and low constraint RMSE, which together ensure structural correctness and solution reliability. Constraint precision and decision variable metrics play secondary roles, while concise outputs enhance computational efficiency. These findings highlight three principles for NLP-to-optimization modeling: (i) Complete constraint coverage prevents violations, (ii) minimizing constraint RMSE ensures solver-level accuracy, and (iii) concise outputs improve computational efficiency. The proposed framework establishes a foundation for fine-grained, diagnostic evaluation of LLMs in optimization modeling.
Authors: Ganglin Tian, Anastase Alexandre Charantonis, Camille Le Coz, Alexis Tantet, Riwal Plougonven
Abstract: This study aims to improve the spatial representation of uncertainties when regressing surface wind speeds from large-scale atmospheric predictors for sub-seasonal forecasting. Sub-seasonal forecasting often relies on large-scale atmospheric predictors such as 500 hPa geopotential height (Z500), which exhibit higher predictability than surface variables and can be downscaled to obtain more localised information. Previous work by Tian et al. (2024) demonstrated that stochastic perturbations based on model residuals can improve ensemble dispersion representation in statistical downscaling frameworks, but this method fails to represent spatial correlations and physical consistency adequately. More sophisticated approaches are needed to capture the complex relationships between large-scale predictors and local-scale predictands while maintaining physical consistency. Probabilistic deep learning models offer promising solutions for capturing complex spatial dependencies. This study evaluates three probabilistic methods with distinct uncertainty quantification mechanisms: Quantile Regression Neural Network that directly models distribution quantiles, Variational Autoencoders that leverage latent space sampling, and Diffusion Models that utilise iterative denoising. These models are trained on ERA5 reanalysis data and applied to ECMWF sub-seasonal hindcasts to regress probabilistic wind speed ensembles. Our results show that probabilistic downscaling approaches provide more realistic spatial uncertainty representations compared to simpler stochastic methods, with each probabilistic model offering different strengths in terms of ensemble dispersion, deterministic skill, and physical consistency. These findings establish probabilistic downscaling as an effective enhancement to operational sub-seasonal wind forecasts for renewable energy planning and risk assessment.
Authors: Pingzhi Li, Morris Yu-Chao Huang, Zhen Tan, Qingquan Song, Jie Peng, Kai Zou, Yu Cheng, Kaidi Xu, Tianlong Chen
Abstract: Knowledge Distillation (KD) accelerates training of large language models (LLMs) but poses intellectual property protection and LLM diversity risks. Existing KD detection methods based on self-identity or output similarity can be easily evaded through prompt engineering. We present a KD detection framework effective in both white-box and black-box settings by exploiting an overlooked signal: the transfer of MoE "structural habits", especially internal routing patterns. Our approach analyzes how different experts specialize and collaborate across various inputs, creating distinctive fingerprints that persist through the distillation process. To extend beyond the white-box setup and MoE architectures, we further propose Shadow-MoE, a black-box method that constructs proxy MoE representations via auxiliary distillation to compare these patterns between arbitrary model pairs. We establish a comprehensive, reproducible benchmark that offers diverse distilled checkpoints and an extensible framework to facilitate future research. Extensive experiments demonstrate >94% detection accuracy across various scenarios and strong robustness to prompt-based evasion, outperforming existing baselines while highlighting the structural habits transfer in LLMs.
Authors: Shurong Lin, Aleksandra Slavkovi\'c, Deekshith Reddy Bhoomireddy
Abstract: In social sciences, small- to medium-scale datasets are common and linear regression (LR) is canonical. In privacy-aware settings, much work has focused on differentially private (DP) LR, but mostly on point estimation with limited attention to uncertainty quantification. Meanwhile, synthetic data generation (SDG) is increasingly important for reproducibility studies, yet current DP LR methods do not readily support it. Mainstream SDG approaches are either tailored to discretized data, making them less suitable for continuous regression, or rely on deep models that require large datasets, limiting their use for the smaller, continuous data typical in social science. We propose a method for LR with valid inference under Gaussian DP: a DP bias-corrected estimator with asymptotic confidence intervals (CIs) and a general SDG procedure in which regression on the synthetic data matches our DP regression. Our binning-aggregation strategy is effective in small- to moderate-dimensional settings. Experiments show our method (1) improves accuracy over existing methods, (2) provides valid CIs, and (3) produces more reliable synthetic data for downstream ML tasks than current DP SDGs.
Authors: Kanghui Ning, Zijie Pan, Yushan Jiang, Anderson Schneider, Yuriy Nevmyvaka, Dongjin Song
Abstract: Time series reasoning is emerging as the next frontier in temporal analysis, aiming to move beyond pattern recognition towards explicit, interpretable, and trustworthy inference. This paper presents a BlueSky vision built on two complementary directions. One builds robust foundations for time series reasoning, centered on comprehensive temporal understanding, structured multi-step reasoning, and faithful evaluation frameworks. The other advances system-level reasoning, moving beyond language-only explanations by incorporating multi-agent collaboration, multi-modal context, and retrieval-augmented approaches. Together, these directions outline a flexible and extensible framework for advancing time series reasoning, aiming to deliver interpretable and trustworthy temporal intelligence across diverse domains.
Authors: Ahmed Khaled, Kaan Ozkara, Tao Yu, Mingyi Hong, Youngsuk Park
Abstract: Gradient orthogonalization is a simple strategy that shows great utility in speeding up gradient descent. The Muon optimizer (Jordan, Jin, et al., 2024) combines gradient orthogonalization with first-order momentum and achieves significant improvement in data efficiency over Adam/AdamW (Loshchilov and Hutter, 2019) for language model training. However, when using model parallelism, gradient orthogonalization introduces additional overhead compared to coordinate-wise optimizers (such as AdamW) due to additional gather and scatter operations on gradient matrix shards from different devices. This additional communication can amount to a throughput hit of 5%-10% compared to Adam/AdamW. To remedy this, we propose Muon with Block-Periodic Orthogonalization (MuonBP), which applies orthogonalization independently to matrix shards on each device and periodically performs full orthogonalization to maintain training stability at scale. We show how to adjust the learning rate from the baseline to MuonBP and give convergence guarantees for this algorithm. Crucially, our theory dictates that we use two stepsizes: one for the blockwise orthogonalization steps, and one for the full orthogonalization steps. Our method is simple, requires minimal hyperparameter adjustments, and achieves competitive iteration complexity compared with baseline Muon while providing per-iteration throughput comparable to coordinate-wise methods such as AdamW. When training an 8B model with eight-way tensor parallelism and ZeRO optimizer state sharding, MuonBP achieves 8% throughput increase compared to Muon with no degradation in performance.
Authors: Xuying Ning, Dongqi Fu, Tianxin Wei, Wujiang Xu, Jingrui He
Abstract: Real-world multimodal data usually exhibit complex structural relationships beyond traditional one-to-one mappings like image-caption pairs. Entities across modalities interact in intricate ways, with images and text forming diverse interconnections through contextual dependencies and co-references. Graphs provide powerful structural information for modeling intra-modal and inter-modal relationships. However, previous works fail to distinguish multi-hop neighbors and treat the graph as a standalone modality, which fragments the overall understanding. This limitation presents two key challenges in multimodal learning: (1) integrating structural information from multi-hop neighbors into foundational models, and (2) fusing modality-specific information in a principled manner. To address these challenges, we revisit the role of graphs in multimodal learning within the era of foundation models and propose Graph4MM, a graph-based multimodal learning framework. To be specific, we introduce Hop-Diffused Attention, which integrates multi-hop structural information into self-attention through causal masking and hop diffusion. Furthermore, we design MM-QFormer, a multi-mapping querying transformer for cross-modal fusion. Through theoretical and empirical analysis, we show that leveraging structures to integrate both intra- and inter-modal interactions improves multimodal understanding beyond treating them as a standalone modality. Experiments on both generative and discriminative tasks show that Graph4MM outperforms larger VLMs, LLMs, and multimodal graph baselines, achieving a 6.93% average improvement.
Authors: Chang Liu, Danial Chitnis
Abstract: Circuit schematics play a crucial role in analog integrated circuit design, serving as the primary medium for human understanding and verification of circuit functionality. While recent large language model (LLM)-based approaches have shown promise in circuit topology generation and device sizing, most rely solely on textual representations such as SPICE netlists, which lack visual interpretability for circuit designers. To address this limitation, we propose EEschematic, an AI agent for automatic analog schematic generation based on a Multimodal Large Language Model (MLLM). EEschematic integrates textual, visual, and symbolic modalities to translate SPICE netlists into schematic diagrams represented in a human-editable format. The framework uses six analog substructure examples for few-shot placement and a Visual Chain-of-Thought (VCoT) strategy to iteratively refine placement and wiring, enhancing schematic clarity and symmetry. Experimental results on representative analog circuits, including a CMOS inverter, a five-transistor operational transconductance amplifier (5T-OTA), and a telescopic cascode amplifier, demonstrate that EEschematic produces schematics with high visual quality and structural correctness.
Authors: Mingyan Yang, Guanjie Wang, Manqi Luo, Yifei Liu, Chen Chen, Han Zhao, Yu Feng, Quan Chen, Minyi Guo
Abstract: In the era of Large Language Models (LLMs), it has been popular to launch a series of LLM inferences -- we call an LLM application -- to better solve real-world problems. When serving those applications in shared GPU servers, the schedulers are expected to attain fast application completions with guaranteed worst-case performance. However, mainstream LLM schedulers fail to behave well for LLM applications -- due to head-of-line blocking or over-constrained resource allocation. In this paper, we propose to serve LLM applications in a fair and also efficient manner. To this end, we design Justitia, a novel scheduler with three key techniques. First, given that memory is prevalently a bottleneck for mainstream inference frameworks like vLLM, Justitia models the service cost of LLM applications in a memory-centric manner. Meanwhile, it uses a simple neural network model to conduct light-weight and also accurate demand prediction. Moreover, Justitia adopts a virtual-time based fair queuing algorithm to reduce the overall performance with guaranteed worst-case delay. We have implemented Justitia atop vLLM, and experimental results involving diverse LLM applications show that it can substantially enhance the scheduling efficiency with fairness preserved.
Authors: Bingqi Shang, Yiwei Chen, Yihua Zhang, Bingquan Shen, Sijia Liu
Abstract: Large language model (LLM) unlearning has become a critical mechanism for removing undesired data, knowledge, or behaviors from pre-trained models while retaining their general utility. Yet, with the rise of open-weight LLMs, we ask: can the unlearning process itself be backdoored, appearing successful under normal conditions yet reverting to pre-unlearned behavior when a hidden trigger is activated? Drawing inspiration from classical backdoor attacks that embed triggers into training data to enforce specific behaviors, we investigate backdoor unlearning, where models forget as intended in the clean setting but recover forgotten knowledge when the trigger appears. We show that designing such attacks presents unique challenges, hinging on where triggers are placed and how backdoor training is reinforced. We uncover a strong link between backdoor efficacy and the attention sink phenomenon, i.e., shallow input tokens consistently attract disproportionate attention in LLMs. Our analysis reveals that these attention sinks serve as gateways for backdoor unlearning: placing triggers at sink positions and aligning their attention values markedly enhances backdoor persistence. Extensive experiments validate these findings, showing that attention-sink-guided backdoor unlearning reliably restores forgotten knowledge in the presence of backdoor triggers, while behaving indistinguishably from a normally unlearned model when triggers are absent. Code is available at https://github.com/OPTML-Group/Unlearn-Backdoor.
Authors: Kevin P. O Keeffe
Abstract: We explore if RL can be useful for symbolic mathematics. Previous work showed contrastive learning can solve linear equations in one variable. We show model-free PPO \cite{schulman2017proximal} augmented with curiosity-based exploration and graph-based actions can solve nonlinear equations such as those involving radicals, exponentials, and trig functions. Our work suggests curiosity-based exploration may be useful for general symbolic reasoning tasks.
Authors: Nguyen Do, Bach Ngo, Youval Kashuv, Canh V. Pham, Hanghang Tong, My T. Thai
Abstract: We study the Quality of Service Degradation (QoSD) problem, in which an adversary perturbs edge weights to degrade network performance. This setting arises in both network infrastructures and distributed ML systems, where communication quality, not just connectivity, determines functionality. While classical methods rely on combinatorial optimization, and recent ML approaches address only restricted linear variants with small-size networks, no prior model directly tackles the QoSD problem under nonlinear edge-weight functions. This work proposes \PIMMA, a self-reinforcing generative framework that synthesizes feasible solutions in latent space, to fill this gap. Our method includes three phases: (1) Forge: a Predictive Path-Stressing (PPS) algorithm that uses graph learning and approximation to produce feasible solutions with performance guarantee, (2) Morph: a new theoretically grounded training paradigm for Mixture of Conditional VAEs guided by an energy-based model to capture solution feature distributions, and (3) Refine: a reinforcement learning agent that explores this space to generate progressively near-optimal solutions using our designed differentiable reward function. Experiments on both synthetic and real-world networks show that our approach consistently outperforms classical and ML baselines, particularly in scenarios with nonlinear cost functions where traditional methods fail to generalize.
Authors: Hoang-Son Nguyen, Xiao Fu
Abstract: Latent component identification from unknown nonlinear mixtures is a foundational challenge in machine learning, with applications in tasks such as disentangled representation learning and causal inference. Prior work in nonlinear independent component analysis (nICA) has shown that auxiliary signals -- such as weak supervision -- can support identifiability of conditionally independent latent components. More recent approaches explore structural assumptions, e.g., sparsity in the Jacobian of the mixing function, to relax such requirements. In this work, we introduce Diverse Influence Component Analysis (DICA), a framework that exploits the convex geometry of the mixing function's Jacobian. We propose a Jacobian Volume Maximization (J-VolMax) criterion, which enables latent component identification by encouraging diversity in their influence on the observed variables. Under reasonable conditions, this approach achieves identifiability without relying on auxiliary information, latent component independence, or Jacobian sparsity assumptions. These results extend the scope of identifiability analysis and offer a complementary perspective to existing methods.
Authors: Nikolaus Howe, Micah Carroll
Abstract: The use of reinforcement learning (RL) with chain-of-thought (CoT) reasoning has emerged as a promising approach for developing more capable language models. In turn, this has led to investigation of CoT monitoring as a compelling method for detecting harmful behaviors such as reward hacking, under the assumption that models' reasoning processes reflect their internal decision-making. In practice, LLM training often produces unintended behaviors due to imperfect reward signals, leading models to develop misaligned tendencies. A common corrective approach is to apply post-hoc instructions to avoid problematic behaviors like sycophancy, but what happens to the model's reasoning process when these instructions conflict with learned behaviors? We investigate this question in simple settings and find that models engage in systematic motivated reasoning -- generating plausible-sounding justifications for violating their instructions while downplaying potential harms. Beyond being an interesting property of training, we find that while motivated reasoning can be detected by most frontier reasoning models, smaller LLM judges can fail to identify a portion of it, and in rare cases can themselves be persuaded that the reasoning is correct, despite it contradicting clear instructions. This capability gap raises concerns that as models become more sophisticated, their motivated reasoning may become increasingly difficult for monitors to detect. Our results underscore the need to account for motivated reasoning when relying on chain-of-thought processes for model evaluation and oversight. All code for this paper will be made available. WARNING: some examples in this paper may be upsetting.
Authors: Hassan Hamad, Yuou Qiu, Peter A. Beerel, Keith M. Chugg
Abstract: While advancements in quantization have significantly reduced the computational costs of inference in deep learning, training still predominantly relies on complex floating-point arithmetic. Low-precision fixed-point training presents a compelling alternative. This work introduces a novel enhancement in low-precision logarithmic fixed-point training, geared towards future hardware accelerator designs. We propose incorporating bitwidth in the design of approximations to arithmetic operations. To this end, we introduce a new hardware-friendly, piece-wise linear approximation for logarithmic addition. Using simulated annealing, we optimize this approximation at different precision levels. A C++ bit-true simulation demonstrates training of VGG-11 and VGG-16 models on CIFAR-100 and TinyImageNet, respectively, using 12-bit integer arithmetic with minimal accuracy degradation compared to 32-bit floating-point training. Our hardware study reveals up to 32.5% reduction in area and 53.5% reduction in energy consumption for the proposed LNS multiply-accumulate units compared to that of linear fixed-point equivalents.
Authors: Kathryn Wantlin, Chongyi Zheng, Benjamin Eysenbach
Abstract: In the same way that generative models today conduct most of their training in a self-supervised fashion, how can agentic models conduct their training in a self-supervised fashion, interactively exploring, learning, and preparing to quickly adapt to new tasks? A prerequisite for embodied agents deployed in real world interactions ought to be training with interaction, yet today's most successful AI models (e.g., VLMs, LLMs) are trained without an explicit notion of action. The problem of pure exploration (which assumes no data as input) is well studied in the reinforcement learning literature and provides agents with a wide array of experiences, yet it fails to prepare them for rapid adaptation to new tasks. Today's language and vision models are trained on data provided by humans, which provides a strong inductive bias for the sorts of tasks that the model will have to solve (e.g., modeling chords in a song, phrases in a sonnet, sentences in a medical record). However, when they are prompted to solve a new task, there is a faulty tacit assumption that humans spend most of their time in the most rewarding states. The key contribution of our paper is a method for pre-training interactive agents in a self-supervised fashion, so that they can instantly mimic human demonstrations. Our method treats goals (i.e., observations) as the atomic construct. During training, our method automatically proposes goals and practices reaching them, building off prior work in reinforcement learning exploration. During evaluation, our method solves an (amortized) inverse reinforcement learning problem to explain demonstrations as optimal goal-reaching behavior. Experiments on standard benchmarks (not designed for goal-reaching) show that our approach outperforms prior methods for zero-shot imitation.
Authors: Yiling Chen, Shi Feng, Paul Kattuman, Fang-Yi Yu
Abstract: How can we assess the reliability of a dataset without access to ground truth? We introduce the problem of reliability scoring for datasets collected from potentially strategic sources. The true data are unobserved, but we see outcomes of an unknown statistical experiment that depends on them. To benchmark reliability, we define ground-truth-based orderings that capture how much reported data deviate from the truth. We then propose the Gram determinant score, which measures the volume spanned by vectors describing the empirical distribution of the observed data and experiment outcomes. We show that this score preserves several ground-truth based reliability orderings and, uniquely up to scaling, yields the same reliability ranking of datasets regardless of the experiment -- a property we term experiment agnosticism. Experiments on synthetic noise models, CIFAR-10 embeddings, and real employment data demonstrate that the Gram determinant score effectively captures data quality across diverse observation processes.
Authors: Zan Li, Rui Fan
Abstract: Financial anomalies exhibit heterogeneous mechanisms (price shocks, liquidity freezes, contagion cascades, regime shifts), but existing detectors treat all anomalies uniformly, producing scalar scores without revealing which mechanism is failing, where risks concentrate, or how to intervene. This opacity prevents targeted regulatory responses. Three unsolved challenges persist: (1) static graph structures cannot adapt when market correlations shift during regime changes; (2) uniform detection mechanisms miss type-specific signatures across multiple temporal scales while failing to integrate individual behaviors with network contagion; (3) black-box outputs provide no actionable guidance on anomaly mechanisms or their temporal evolution. We address these via adaptive graph learning with specialized expert networks that provide built-in interpretability. Our framework captures multi-scale temporal dependencies through BiLSTM with self-attention, fuses temporal and spatial information via cross-modal attention, learns dynamic graphs through neural multi-source interpolation, adaptively balances learned dynamics with structural priors via stress-modulated fusion, routes anomalies to four mechanism-specific experts, and produces dual-level interpretable attributions. Critically, interpretability is embedded architecturally rather than applied post-hoc. On 100 US equities (2017-2024), we achieve 92.3% detection of 13 major events with 3.8-day lead time, outperforming best baseline by 30.8pp. Silicon Valley Bank case study demonstrates anomaly evolution tracking: Price-Shock expert weight rose to 0.39 (33% above baseline 0.29) during closure, peaking at 0.48 (66% above baseline) one week later, revealing automatic temporal mechanism identification without labeled supervision.
Authors: Zhiyuan Fan, Arnab Maiti, Kevin Jamieson, Lillian J. Ratliff, Gabriele Farina
Abstract: In this paper, we study the classical Hedge algorithm in combinatorial settings. In each round, the learner selects a vector $\boldsymbol{x}_t$ from a set $X \subseteq \{0,1\}^d$, observes a full loss vector $\boldsymbol{y}_t \in \mathbb{R}^d$, and incurs a loss $\langle \boldsymbol{x}_t, \boldsymbol{y}_t \rangle \in [-1,1]$. This setting captures several important problems, including extensive-form games, resource allocation, $m$-sets, online multitask learning, and shortest-path problems on directed acyclic graphs (DAGs). It is well known that Hedge achieves a regret of $O\big(\sqrt{T \log |X|}\big)$ after $T$ rounds of interaction. In this paper, we ask whether Hedge is optimal across all combinatorial settings. To that end, we show that for any $X \subseteq \{0,1\}^d$, Hedge is near-optimal--specifically, up to a $\sqrt{\log d}$ factor--by establishing a lower bound of $\Omega\big(\sqrt{T \log(|X|)/\log d}\big)$ that holds for any algorithm. We then identify a natural class of combinatorial sets--namely, $m$-sets with $\log d \leq m \leq \sqrt{d}$--for which this lower bound is tight, and for which Hedge is provably suboptimal by a factor of exactly $\sqrt{\log d}$. At the same time, we show that Hedge is optimal for online multitask learning, a generalization of the classical $K$-experts problem. Finally, we leverage the near-optimality of Hedge to establish the existence of a near-optimal regularizer for online shortest-path problems in DAGs--a setting that subsumes a broad range of combinatorial domains. Specifically, we show that the classical Online Mirror Descent (OMD) algorithm, when instantiated with the dilated entropy regularizer, is iterate-equivalent to Hedge, and therefore inherits its near-optimal regret guarantees for DAGs.
Authors: Shinji Ito, Kevin Jamieson, Haipeng Luo, Arnab Maiti, Taira Tsuchiya
Abstract: We study online learning in finite-horizon episodic Markov decision processes (MDPs) under the challenging aggregate bandit feedback model, where the learner observes only the cumulative loss incurred in each episode, rather than individual losses at each state-action pair. While prior work in this setting has focused exclusively on worst-case analysis, we initiate the study of best-of-both-worlds (BOBW) algorithms that achieve low regret in both stochastic and adversarial environments. We propose the first BOBW algorithms for episodic tabular MDPs with aggregate bandit feedback. In the case of known transitions, our algorithms achieve $O(\log T)$ regret in stochastic settings and ${O}(\sqrt{T})$ regret in adversarial ones. Importantly, we also establish matching lower bounds, showing the optimality of our algorithms in this setting. We further extend our approach to unknown-transition settings by incorporating confidence-based techniques. Our results rely on a combination of FTRL over occupancy measures, self-bounding techniques, and new loss estimators inspired by recent advances in online shortest path problems. Along the way, we also provide the first individual-gap-dependent lower bounds and demonstrate near-optimal BOBW algorithms for shortest path problems with bandit feedback.
Authors: Chen Zhang, Weixin Bu, Wendong Xu, Runsheng Yu, Yik-Chung Wu, Ngai Wong
Abstract: Transformers have achieved remarkable success in time series modeling, yet their internal mechanisms remain opaque. This work demystifies the Transformer encoder by establishing its fundamental equivalence to a Graph Convolutional Network (GCN). We show that in the forward pass, the attention distribution matrix serves as a dynamic adjacency matrix, and its composition with subsequent transformations performs computations analogous to graph convolution. Moreover, we demonstrate that in the backward pass, the update dynamics of value and feed-forward projections mirror those of GCN parameters. Building on this unified theoretical reinterpretation, we propose \textbf{Fighter} (Flexible Graph Convolutional Transformer), a streamlined architecture that removes redundant linear projections and incorporates multi-hop graph aggregation. This perspective yields an explicit and interpretable representation of temporal dependencies across different scales, naturally expressed as graph edges. Experiments on standard forecasting benchmarks confirm that Fighter achieves competitive performance while providing clearer mechanistic interpretability of its predictions.
Authors: Rishi Sonthalia, Raj Rao Nadakuditi
Abstract: We introduce a novel regularization scheme for autoencoders based on matricial free energy. Our approach defines a differentiable loss function in terms of the singular values of the code matrix (code dimension x batch size). From the standpoint of free probability an d random matrix theory, this loss achieves its minimum when the singular value distribution of the code matrix coincides with that of an appropriately sculpted random metric with i.i.d. Gaussian entries. Empirical simulations demonstrate that minimizing the negative matricial free energy through standard stochastic gradient-based training yields Gaussian-like codes that generalize across training and test sets. Building on this foundation, we propose a matricidal free energy maximizing autoencoder that reliably produces Gaussian codes and show its application to underdetermined inverse problems.
Authors: Chengxiu Hua, Jiawen Gu, Yushun Tang
Abstract: Reinforcement learning (RL) has achieved significant success across a wide range of domains, however, most existing methods are formulated in discrete time. In this work, we introduce a novel RL method for continuous-time control, where stochastic differential equations govern state-action dynamics. Departing from traditional value function-based approaches, our key contribution is the characterization of continuous-time Q-functions via a martingale condition and the linking of diffusion policy scores to the action gradient of a learned continuous Q-function by the dynamic programming principle. This insight motivates Continuous Q-Score Matching (CQSM), a score-based policy improvement algorithm. Notably, our method addresses a long-standing challenge in continuous-time RL: preserving the action-evaluation capability of Q-functions without relying on time discretization. We further provide theoretical closed-form solutions for linear-quadratic (LQ) control problems within our framework. Numerical results in simulated environments demonstrate the effectiveness of our proposed method and compare it to popular baselines.
Authors: Ioannis Tsaknakis, Bingqing Song, Shuyu Gan, Dongyeop Kang, Alfredo Garcia, Gaowen Liu, Charles Fleming, Mingyi Hong
Abstract: Large Language Models (LLMs) excel at producing broadly relevant text, but this generality becomes a limitation when user-specific preferences are required, such as recommending restaurants or planning travel. In these scenarios, users rarely articulate every preference explicitly; instead, much of what they care about remains latent, waiting to be inferred. This raises a fundamental question: Can LLMs uncover and reason about such latent information through conversation? We address this problem by introducing a unified benchmark for evaluating latent information discovery - the ability of LLMs to reveal and utilize hidden user attributes through multi-turn interaction. The benchmark spans three progressively realistic settings: the classic 20 Questions game, Personalized Question Answering, and Personalized Text Summarization. All tasks share a tri-agent framework (User, Assistant, Judge) enabling turn-level evaluation of elicitation and adaptation. Our results reveal that while LLMs can indeed surface latent information through dialogue, their success varies dramatically with context: from 32% to 98%, depending on task complexity, topic, and number of hidden attributes. This benchmark provides the first systematic framework for studying latent information discovery in personalized interaction, highlighting that effective preference inference remains an open frontier for building truly adaptive AI systems.
Authors: Enhao Gu, Haolin Hou
Abstract: The generation of high-quality, diverse, and prompt-aligned images is a central goal in image-generating diffusion models. The popular classifier-free guidance (CFG) approach improves quality and alignment at the cost of reduced variation, creating an inherent entanglement of these effects. Recent work has successfully disentangled these properties by guiding a model with a separately trained, inferior counterpart; however, this solution introduces the considerable overhead of requiring an auxiliary model. We challenge this prerequisite by introducing In-situ Autoguidance, a method that elicits guidance from the model itself without any auxiliary components. Our approach dynamically generates an inferior prediction on the fly using a stochastic forward pass, reframing guidance as a form of inference-time self-correction. We demonstrate that this zero-cost approach is not only viable but also establishes a powerful new baseline for cost-efficient guidance, proving that the benefits of self-guidance can be achieved without external models.
Authors: Derda Kaymak, Gyuhak Kim, Tomoya Kaichi, Tatsuya Konishi, Bing Liu
Abstract: In classic supervised learning, once a model is deployed in an application, it is fixed. No updates will be made to it during the application. This is inappropriate for many dynamic and open environments, where unexpected samples from unseen classes may appear. In such an environment, the model should be able to detect these novel samples from unseen classes and learn them after they are labeled. We call this paradigm Autonomous Learning after Model Deployment (ALMD). The learning here is continuous and involves no human engineers. Labeling in this scenario is performed by human co-workers or other knowledgeable agents, which is similar to what humans do when they encounter an unfamiliar object and ask another person for its name. In ALMD, the detection of novel samples is dynamic and differs from traditional out-of-distribution (OOD) detection in that the set of in-distribution (ID) classes expands as new classes are learned during application, whereas ID classes is fixed in traditional OOD detection. Learning is also different from classic supervised learning because in ALMD, we learn the encountered new classes immediately and incrementally. It is difficult to retrain the model from scratch using all the past data from the ID classes and the novel samples from newly discovered classes, as this would be resource- and time-consuming. Apart from these two challenges, ALMD faces the data scarcity issue because instances of new classes often appear sporadically in real-life applications. To address these issues, we propose a novel method, PLDA, which performs dynamic OOD detection and incremental learning of new classes on the fly. Empirical evaluations will demonstrate the effectiveness of PLDA.
Authors: Guanjie Cheng, Siyang Liu, Junqin Huang, Xinkui Zhao, Yin Wang, Mengying Zhu, Linghe Kong, Shuiguang Deng
Abstract: Mobile edge crowdsensing (MECS) systems continuously generate and transmit user data in dynamic, resource-constrained environments, exposing users to significant privacy threats. In practice, many privacy-preserving mechanisms build on differential privacy (DP). However, static DP mechanisms often fail to adapt to evolving risks, for example, shifts in adversarial capabilities, resource constraints and task requirements, resulting in either excessive noise or inadequate protection. To address this challenge, we propose ALPINE, a lightweight, adaptive framework that empowers terminal devices to autonomously adjust differential privacy levels in real time. ALPINE operates as a closed-loop control system consisting of four modules: dynamic risk perception, privacy decision via twin delayed deep deterministic policy gradient (TD3), local privacy execution and performance verification from edge nodes. Based on environmental risk assessments, we design a reward function that balances privacy gains, data utility and energy cost, guiding the TD3 agent to adaptively tune noise magnitude across diverse risk scenarios and achieve a dynamic equilibrium among privacy, utility and cost. Both the collaborative risk model and pretrained TD3-based agent are designed for low-overhead deployment. Extensive theoretical analysis and real-world simulations demonstrate that ALPINE effectively mitigates inference attacks while preserving utility and cost, making it practical for large-scale edge applications.
Authors: Runlin Lei, Lu Yi, Mingguo He, Pengyu Qiu, Zhewei Wei, Yongchao Liu, Chuntao Hong
Abstract: While Graph Neural Networks (GNNs) and Large Language Models (LLMs) are powerful approaches for learning on Text-Attributed Graphs (TAGs), a comprehensive understanding of their robustness remains elusive. Current evaluations are fragmented, failing to systematically investigate the distinct effects of textual and structural perturbations across diverse models and attack scenarios. To address these limitations, we introduce a unified and comprehensive framework to evaluate robustness in TAG learning. Our framework evaluates classical GNNs, robust GNNs (RGNNs), and GraphLLMs across ten datasets from four domains, under diverse text-based, structure-based, and hybrid perturbations in both poisoning and evasion scenarios. Our extensive analysis reveals multiple findings, among which three are particularly noteworthy: 1) models have inherent robustness trade-offs between text and structure, 2) the performance of GNNs and RGNNs depends heavily on the text encoder and attack type, and 3) GraphLLMs are particularly vulnerable to training data corruption. To overcome the identified trade-offs, we introduce SFT-auto, a novel framework that delivers superior and balanced robustness against both textual and structural attacks within a single model. Our work establishes a foundation for future research on TAG security and offers practical solutions for robust TAG learning in adversarial environments. Our code is available at: https://github.com/Leirunlin/TGRB.
Authors: Alexander Aghili, Andy Bruce, Daniel Sabo, Sanya Murdeshwar, Kevin Bachelor, Ionut Mistreanu, Ashwin Lokapally, Razvan Marinescu
Abstract: The rapid evolution of molecular dynamics (MD) methods, including machine-learned dynamics, has outpaced the development of standardized tools for method validation. Objective comparison between simulation approaches is often hindered by inconsistent evaluation metrics, insufficient sampling of rare conformational states, and the absence of reproducible benchmarks. To address these challenges, we introduce a modular benchmarking framework that systematically evaluates protein MD methods using enhanced sampling analysis. Our approach uses weighted ensemble (WE) sampling via The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis (WESTPA), based on progress coordinates derived from Time-lagged Independent Component Analysis (TICA), enabling fast and efficient exploration of protein conformational space. The framework includes a flexible, lightweight propagator interface that supports arbitrary simulation engines, allowing both classical force fields and machine learning-based models. Additionally, the framework offers a comprehensive evaluation suite capable of computing more than 19 different metrics and visualizations across a variety of domains. We further contribute a dataset of nine diverse proteins, ranging from 10 to 224 residues, that span a variety of folding complexities and topologies. Each protein has been extensively simulated at 300K for one million MD steps per starting point (4 ns). To demonstrate the utility of our framework, we perform validation tests using classic MD simulations with implicit solvent and compare protein conformational sampling using a fully trained versus under-trained CGSchNet model. By standardizing evaluation protocols and enabling direct, reproducible comparisons across MD approaches, our open-source platform lays the groundwork for consistent, rigorous benchmarking across the molecular simulation community.
Authors: Wenxun Wang, Shuchang Zhou, Wenyu Sun, Peiqin Sun, Yongpan Liu
Abstract: Transformers have shown remarkable performance in both natural language processing (NLP) and computer vision (CV) tasks. However, their real-time inference speed and efficiency are limited due to the inefficiency in Softmax and Layer Normalization (LayerNorm). Previous works based on function approximation suffer from inefficient implementation as they place emphasis on computation while disregarding memory overhead concerns. Moreover, such methods rely on retraining to compensate for approximation error which can be costly and inconvenient. In this paper, we present SOLE, a hardware-software co-design for Softmax and LayerNorm which is composed of E2Softmax and AILayerNorm. E2Softmax utilizes log2 quantization of exponent function and log-based division to approximate Softmax while AILayerNorm adopts low-precision statistic calculation. Compared with state-of-the-art designs, we achieve both low-precision calculation and low bit-width storage on Softmax and LayerNorm. Experiments show that SOLE maintains inference accuracy without retraining while offering orders of magnitude speedup and energy savings over GPU, achieving 3.04x, 3.86x energy-efficiency improvements and 2.82x, 3.32x area-efficiency improvements over prior state-of-the-art custom hardware for Softmax and LayerNorm, respectively.
Authors: Michael Hersche, Samuel Moor-Smith, Thomas Hofmann, Abbas Rahimi
Abstract: Diffusion models have demonstrated strong potential in language modeling, offering various advantages over traditional autoregressive approaches. Their ability to generate and revise entire responses in parallel enables faster generation and built-in self-correction mechanisms. Most modern diffusion-based language models employ masked diffusion, where decoding involves iteratively processing masked tokens based on a binary decision: either retaining the mask or replacing it with the predicted token. However, this binary choice discards valuable predictive information when the mask is retained. To address this limitation, we introduce soft-masking (SM), a novel method that dynamically blends the embedding of the mask token with the embeddings of the top-$k$ predicted tokens from the previous decoding step, for each retained mask. This provides the model with a more informative prior, preserving context from earlier computations and allowing partial information about masked tokens to propagate beyond a single step. We propose a training methodology that adapts a pretrained masked diffusion language model to incorporate SM. We demonstrate that continuing pretraining a 169M parameter model with SM leads to improved perplexity and MAUVE scores. Furthermore, we finetune two state-of-the-art diffusion models, Dream-7B and Dream-Coder-7B, with SM. SM consistently improves performance across multiple coding benchmarks, particularly in high-throughput settings.
Authors: Jundong Zhang, Yuhui Situ, Fanji Zhang, Rongji Deng, Tianqi Wei
Abstract: Tasks involving high-risk-high-return (HRHR) actions, such as obstacle crossing, often exhibit multimodal action distributions and stochastic returns. Most reinforcement learning (RL) methods assume unimodal Gaussian policies and rely on scalar-valued critics, which limits their effectiveness in HRHR settings. We formally define HRHR tasks and theoretically show that Gaussian policies cannot guarantee convergence to the optimal solution. To address this, we propose a reinforcement learning framework that (i) discretizes continuous action spaces to approximate multimodal distributions, (ii) employs entropy-regularized exploration to improve coverage of risky but rewarding actions, and (iii) introduces a dual-critic architecture for more accurate discrete value distribution estimation. The framework scales to high-dimensional action spaces, supporting complex control domains. Experiments on locomotion and manipulation benchmarks with high risks of failure demonstrate that our method outperforms baselines, underscoring the importance of explicitly modeling multimodality and risk in RL.
Authors: Chenyan Fei, Dalin Zhang, Chen Melinda Dang
Abstract: Effective and accurate diagnosis of fuel cell health status is crucial for ensuring the stable operation of fuel cell stacks. Among various parameters, high-frequency impedance serves as a critical indicator for assessing fuel cell state and health conditions. However, its online testing is prohibitively complex and costly. This paper employs a deep sparse auto-encoding network for the prediction and classification of high-frequency impedance in fuel cells, achieving metric of accuracy rate above 92\%. The network is further deployed on an FPGA, attaining a hardware-based recognition rate almost 90\%.
Authors: Wei-Hsun Lee (Dept. of Transportation & Communication Management Science, National Cheng Kung University, Taiwan), Che-Yu Chang (Dept. of Transportation & Communication Management Science, National Cheng Kung University, Taiwan), Kuang-Yu Li (Institute of Data Science, National Cheng Kung University, Taiwan)
Abstract: Driver identification has become an area of increasing interest in recent years, especially for data- driven applications, because biometric-based technologies may incur privacy issues. This study proposes a deep learning neural network architecture, an attention-based encoder (AttEnc), which uses an attention mechanism for driver identification and uses fewer model parameters than current methods. Most studies do not address the issue of data shortages for driver identification, and most of them are inflexible when encountering unknown drivers. In this study, an architecture that combines a prototypical network and an attention-based encoder (P-AttEnc) is proposed. It applies few-shot learning to overcome the data shortage issues and to enhance model generalizations. The experiments showed that the attention-based encoder can identify drivers with accuracies of 99.3%, 99.0% and 99.9% in three different datasets and has a prediction time that is 44% to 79% faster because it significantly reduces, on average, 87.6% of the model parameters. P-AttEnc identifies drivers based on few shot data, extracts driver fingerprints to address the issue of data shortages, and is able to classify unknown drivers. The first experiment showed that P-AttEnc can identify drivers with an accuracy of 69.8% in the one-shot scenario. The second experiment showed that P-AttEnc, in the 1-shot scenario, can classify unknown drivers with an average accuracy of 65.7%.
Authors: Jiayu Bai, Zhanbo Feng, Zhijie Deng, Tianqi Hou, Robert C. Qiu, Zenan Ling
Abstract: Consistency Models (CMs) have shown promise for efficient one-step generation. However, most existing CMs rely on manually designed discretization schemes, which can cause repeated adjustments for different noise schedules and datasets. To address this, we propose a unified framework for the automatic and adaptive discretization of CMs, formulating it as an optimization problem with respect to the discretization step. Concretely, during the consistency training process, we propose using local consistency as the optimization objective to ensure trainability by avoiding excessive discretization, and taking global consistency as a constraint to ensure stability by controlling the denoising error in the training target. We establish the trade-off between local and global consistency with a Lagrange multiplier. Building on this framework, we achieve adaptive discretization for CMs using the Gauss-Newton method. We refer to our approach as ADCMs. Experiments demonstrate that ADCMs significantly improve the training efficiency of CMs, achieving superior generative performance with minimal training overhead on both CIFAR-10 and ImageNet. Moreover, ADCMs exhibit strong adaptability to more advanced DM variants. Code is available at https://github.com/rainstonee/ADCM.
Authors: Anthony Frion, David S Greenberg
Abstract: Data assimilation, consisting in the combination of a dynamical model with a set of noisy and incomplete observations in order to infer the state of a system over time, involves uncertainty in most settings. Building upon an existing deterministic machine learning approach, we propose a variational inference-based extension in which the predicted state follows a multivariate Gaussian distribution. Using the chaotic Lorenz-96 dynamics as a testing ground, we show that our new model enables to obtain nearly perfectly calibrated predictions, and can be integrated in a wider variational data assimilation pipeline in order to achieve greater benefit from increasing lengths of data assimilation windows. Our code is available at https://github.com/anthony-frion/Stochastic_CODA.
Authors: Rishi Jha, Harold Triedman, Justin Wagle, Vitaly Shmatikov
Abstract: Control-flow hijacking attacks manipulate orchestration mechanisms in multi-agent systems into performing unsafe actions that compromise the system and exfiltrate sensitive information. Recently proposed defenses, such as LlamaFirewall, rely on alignment checks of inter-agent communications to ensure that all agent invocations are "related to" and "likely to further" the original objective. We start by demonstrating control-flow hijacking attacks that evade these defenses even if alignment checks are performed by advanced LLMs. We argue that the safety and functionality objectives of multi-agent systems fundamentally conflict with each other. This conflict is exacerbated by the brittle definitions of "alignment" and the checkers' incomplete visibility into the execution context. We then propose, implement, and evaluate ControlValve, a new defense inspired by the principles of control-flow integrity and least privilege. ControlValve (1) generates permitted control-flow graphs for multi-agent systems, and (2) enforces that all executions comply with these graphs, along with contextual rules (generated in a zero-shot manner) for each agent invocation.
Authors: Qingyao Ai, Yichen Tang, Changyue Wang, Jianming Long, Weihang Su, Yiqun Liu
Abstract: Scaling up data, parameters, and test-time computation has been the mainstream methods to improve LLM systems (LLMsys), but their upper bounds are almost reached due to the gradual depletion of high-quality data and marginal gains obtained from larger computational resource consumption. Inspired by the abilities of human and traditional AI systems in learning from practice, constructing memory and continual learning frameworks for LLMsys has become an important and popular research direction in recent literature. Yet, existing benchmarks for LLM memory often focus on evaluating the system on homogeneous reading comprehension tasks with long-form inputs rather than testing their abilities to learn from accumulated user feedback in service time. Therefore, we propose a user feedback simulation framework and a comprehensive benchmark covering multiple domains, languages, and types of tasks to evaluate the continual learning abilities of LLMsys. Experiments show that the effectiveness and efficiency of state-of-the-art baselines are far from satisfying, and we hope this benchmark could pave the way for future studies on LLM memory and optimization algorithms.
Authors: Armin Beck, Peter Ochs
Abstract: Symmetries are known to improve the empirical performance of machine learning models, yet theoretical guarantees explaining these gains remain limited. Prior work has focused mainly on compact group symmetries and often assumes that the data distribution itself is invariant, an assumption rarely satisfied in real-world applications. In this work, we extend generalization guarantees to the broader setting of non-compact symmetries, such as translations and to non-invariant data distributions. Building on the PAC-Bayes framework, we adapt and tighten existing bounds, demonstrating the approach on McAllester's PAC-Bayes bound while showing that it applies to a wide range of PAC-Bayes bounds. We validate our theory with experiments on a rotated MNIST dataset with a non-uniform rotation group, where the derived guarantees not only hold but also improve upon prior results. These findings provide theoretical evidence that, for symmetric data, symmetric models are preferable beyond the narrow setting of compact groups and invariant distributions, opening the way to a more general understanding of symmetries in machine learning.
Authors: Tal Barami, Nimrod Berman, Ilan Naiman, Amos H. Hason, Rotem Ezra, Omri Azencot
Abstract: Learning disentangled representations in sequential data is a key goal in deep learning, with broad applications in vision, audio, and time series. While real-world data involves multiple interacting semantic factors over time, prior work has mostly focused on simpler two-factor static and dynamic settings, primarily because such settings make data collection easier, thereby overlooking the inherently multi-factor nature of real-world data. We introduce the first standardized benchmark for evaluating multi-factor sequential disentanglement across six diverse datasets spanning video, audio, and time series. Our benchmark includes modular tools for dataset integration, model development, and evaluation metrics tailored to multi-factor analysis. We additionally propose a post-hoc Latent Exploration Stage to automatically align latent dimensions with semantic factors, and introduce a Koopman-inspired model that achieves state-of-the-art results. Moreover, we show that Vision-Language Models can automate dataset annotation and serve as zero-shot disentanglement evaluators, removing the need for manual labels and human intervention. Together, these contributions provide a robust and scalable foundation for advancing multi-factor sequential disentanglement.
Authors: Lipeng Xie, Sen Huang, Zhuo Zhang, Anni Zou, Yunpeng Zhai, Dingchao Ren, Kezun Zhang, Haoyuan Hu, Boyin Liu, Haoran Chen, Zhaoyang Liu, Bolin Ding
Abstract: Reward models are essential for aligning Large Language Models (LLMs) with human values, yet their development is hampered by costly preference datasets and poor interpretability. While recent rubric-based approaches offer transparency, they often lack systematic quality control and optimization, creating a trade-off between scalability and reliability. We address these limitations with a novel, training-free framework built on a key assumption: \textit{evaluation rubrics underlying human preferences exhibit significant generalization ability across diverse queries}, a property that enables remarkable data efficiency. Our two-stage approach first infers high-quality, query-specific rubrics using a validation-guided \textbf{Propose-Evaluate-Revise} pipeline. Second, it generalizes these granular rubrics into a compact, non-redundant core set by maximizing an \textbf{information-theoretic coding rate}. The final output is an interpretable, hierarchical "Theme-Tips" rubric set. Extensive experiments demonstrate the framework's exceptional data efficiency and performance. Critically, using just 70 preference pairs (1.5\% of the source data), our method also empowers smaller models like Qwen3-8B to outperform specialized, fully-trained counterparts. This work pioneers a scalable, interpretable, and data-efficient path for reward modeling.
Authors: Joachim Diederich
Abstract: We present a novel framework for training large language models with continuously adjustable internal representations that span the full spectrum from localist (interpretable, rule-based) to distributed (generalizable, efficient) encodings. The key innovations are (1) a locality dial, a tunable parameter that dynamically controls the degree of localization during both training and inference without requiring model retraining, (2) an information-theoretic recruitment mechanism that adaptively allocates semantic blocks as needed, eliminating the requirement for complete domain knowledge at initialization, and (3) a hierarchical recruitment framework that extends capacity allocation to entire specialized LLMs, enabling multi-granularity architectural adaptation. This is achieved through group sparsity penalties on attention mechanisms, information-theoretic anchor design, dynamic rule injection, and principled recruitment criteria based on penalized likelihood with explicit units. We provide rigorous mathematical results establishing explicit threshold conditions under which attention provably concentrates on semantically relevant blocks at stationary points, with exact bounds on attention entropy and pointer fidelity. The hierarchical recruitment mechanism provides convergence guarantees at both the block level (fine-grained, within-LLM) and the LLM level (coarse-grained, cross-domain), ensuring the system discovers semantic partitions that balance model complexity against data encoding efficiency. This framework enables practitioners to continuously interpolate between interpretable and high-performance modes while adapting architectural capacity at multiple granularities, supporting applications in regulated domains requiring both transparency and capability.
Authors: Wei Xu, Xiaoyi Jiang, Lixiang Xu, Dechao Tang
Abstract: In recent years, deep neural networks have been extensively employed in perceptual systems to learn representations endowed with invariances, aiming to emulate the invariance mechanisms observed in the human brain. However, studies in the visual and auditory domains have confirmed that significant gaps remain between the invariance properties of artificial neural networks and those of humans. To investigate the invariance behavior within graph neural networks (GNNs), we introduce a model ``metamers'' generation technique. By optimizing input graphs such that their internal node activations match those of a reference graph, we obtain graphs that are equivalent in the model's representation space, yet differ significantly in both structure and node features. Our theoretical analysis focuses on two aspects: the local metamer dimension for a single node and the activation-induced volume change of the metamer manifold. Utilizing this approach, we uncover extreme levels of representational invariance across several classic GNN architectures. Although targeted modifications to model architecture and training strategies can partially mitigate this excessive invariance, they fail to fundamentally bridge the gap to human-like invariance. Finally, we quantify the deviation between metamer graphs and their original counterparts, revealing unique failure modes of current GNNs and providing a complementary benchmark for model evaluation.
Authors: Julen Cestero, Carmine Delle Femine, Kenji S. Muro, Marco Quartulli, Marcello Restelli
Abstract: Optimizing the energy management within a smart grids scenario presents significant challenges, primarily due to the complexity of real-world systems and the intricate interactions among various components. Reinforcement Learning (RL) is gaining prominence as a solution for addressing the challenges of Optimal Power Flow in smart grids. However, RL needs to iterate compulsively throughout a given environment to obtain the optimal policy. This means obtaining samples from a, most likely, costly simulator, which can lead to a sample efficiency problem. In this work, we address this problem by substituting costly smart grid simulators with surrogate models built using Phisics-informed Neural Networks (PINNs), optimizing the RL policy training process by arriving to convergent results in a fraction of the time employed by the original environment.
Authors: Achref Jaziri, Martin Rogmann, Martin Mundt, Visvanathan Ramesh
Abstract: Detecting out-of-distribution (OOD) data is critical for machine learning, be it for safety reasons or to enable open-ended learning. However, beyond mere detection, choosing an appropriate course of action typically hinges on the type of OOD data encountered. Unfortunately, the latter is generally not distinguished in practice, as modern OOD detection methods collapse distributional shifts into single scalar outlier scores. This work argues that scalar-based methods are thus insufficient for OOD data to be properly contextualized and prospectively exploited, a limitation we overcome with the introduction of DISC: Diffusion-based Statistical Characterization. DISC leverages the iterative denoising process of diffusion models to extract a rich, multi-dimensional feature vector that captures statistical discrepancies across multiple noise levels. Extensive experiments on image and tabular benchmarks show that DISC matches or surpasses state-of-the-art detectors for OOD detection and, crucially, also classifies OOD type, a capability largely absent from prior work. As such, our work enables a shift from simple binary OOD detection to a more granular detection.
Authors: Ludovica Schaerf
Abstract: This paper examines the evolving nature of internal representations in generative visual models, focusing on the conceptual and technical shift from GANs and VAEs to diffusion-based architectures. Drawing on Beatrice Fazi's account of synthesis as the amalgamation of distributed representations, we propose a distinction between "synthesis in a strict sense", where a compact latent space wholly determines the generative process, and "synthesis in a broad sense," which characterizes models whose representational labor is distributed across layers. Through close readings of model architectures and a targeted experimental setup that intervenes in layerwise representations, we show how diffusion models fragment the burden of representation and thereby challenge assumptions of unified internal space. By situating these findings within media theoretical frameworks and critically engaging with metaphors such as the latent space and the Platonic Representation Hypothesis, we argue for a reorientation of how generative AI is understood: not as a direct synthesis of content, but as an emergent configuration of specialized processes.
Authors: Pengxiang Cai, Zihao Gao, Jintai Chen
Abstract: Tabular prediction has traditionally relied on gradient-boosted decision trees and specialized deep learning models, which excel within tasks but provide limited interpretability and weak transfer across tables. Reasoning large language models (LLMs) promise cross-task adaptability with trans- parent reasoning traces, yet their potential has not been fully realized for tabular data. This paper presents TabR1, the first reasoning LLM for tabular prediction with multi-step reasoning. At its core is Permutation Relative Policy Optimization (PRPO), a simple yet efficient reinforcement learning method that encodes column-permutation invariance as a structural prior. By construct- ing multiple label-preserving permutations per sample and estimating advantages both within and across permutations, PRPO transforms sparse rewards into dense learning signals and improves generalization. With limited supervision, PRPO activates the reasoning ability of LLMs for tabular prediction, enhancing few-shot and zero-shot performance as well as interpretability. Comprehensive experiments demonstrate that TabR1 achieves performance comparable to strong baselines under full-supervision fine-tuning. In the zero-shot setting, TabR1 approaches the performance of strong baselines under the 32-shot setting. Moreover, TabR1 (8B) substantially outperforms much larger LLMs across various tasks, achieving up to 53.17% improvement over DeepSeek-R1 (685B).
Authors: Seouh-won Yi, Min-hwan Oh
Abstract: We propose feature perturbation, a simple yet powerful technique that injects randomness directly into feature inputs, instead of randomizing unknown parameters or adding noise to rewards. Remarkably, this algorithm achieves $\tilde{\mathcal{O}}(d\sqrt{T})$ worst-case regret bound for generalized linear bandits, while avoiding the $\tilde{\mathcal{O}}(d^{3/2}\sqrt{T})$ regret typical of existing randomized bandit algorithms. Because our algorithm eschews parameter sampling, it is both computationally efficient and naturally extends to non-parametric or neural network models. We verify these advantages through empirical evaluations, demonstrating that feature perturbation not only surpasses existing methods but also unifies strong practical performance with best-known theoretical guarantees.
Authors: Jongmin Lee, Ernest K. Ryu
Abstract: Although there is an extensive body of work characterizing the sample complexity of discounted-return offline RL with function approximations, prior work on the average-reward setting has received significantly less attention, and existing approaches rely on restrictive assumptions, such as ergodicity or linearity of the MDP. In this work, we establish the first sample complexity results for average-reward offline RL with function approximation for weakly communicating MDPs, a much milder assumption. To this end, we introduce Anchored Fitted Q-Iteration, which combines the standard Fitted Q-Iteration with an anchor mechanism. We show that the anchor, which can be interpreted as a form of weight decay, is crucial for enabling finite-time analysis in the average-reward setting. We also extend our finite-time analysis to the setup where the dataset is generated from a single-trajectory rather than IID transitions, again leveraging the anchor mechanism.
Authors: Alejandro Guerra-Manzanares, Farah E. Shamout
Abstract: The aim of multimodal neural networks is to combine diverse data sources, referred to as modalities, to achieve enhanced performance compared to relying on a single modality. However, training of multimodal networks is typically hindered by modality overfitting, where the network relies excessively on one of the available modalities. This often yields sub-optimal performance, hindering the potential of multimodal learning and resulting in marginal improvements relative to unimodal models. In this work, we present the Modality-Informed Learning ratE Scheduler (MILES) for training multimodal joint fusion models in a balanced manner. MILES leverages the differences in modality-wise conditional utilization rates during training to effectively balance multimodal learning. The learning rate is dynamically adjusted during training to balance the speed of learning from each modality by the multimodal model, aiming for enhanced performance in both multimodal and unimodal predictions. We extensively evaluate MILES on four multimodal joint fusion tasks and compare its performance to seven state-of-the-art baselines. Our results show that MILES outperforms all baselines across all tasks and fusion methods considered in our study, effectively balancing modality usage during training. This results in improved multimodal performance and stronger modality encoders, which can be leveraged when dealing with unimodal samples or absent modalities. Overall, our work highlights the impact of balancing multimodal learning on improving model performance.
Authors: Keivan Faghih Niresi, Zepeng Zhang, Olga Fink
Abstract: Time series data are often affected by various forms of corruption, such as missing values, noise, and outliers, which pose significant challenges for tasks such as forecasting and anomaly detection. To address these issues, inverse problems focus on reconstructing the original signal from corrupted data by leveraging prior knowledge about its underlying structure. While deep learning methods have demonstrated potential in this domain, they often require extensive pretraining and struggle to generalize under distribution shifts. In this work, we propose RINS-T (Robust Implicit Neural Solvers for Time Series Linear Inverse Problems), a novel deep prior framework that achieves high recovery performance without requiring pretraining data. RINS-T leverages neural networks as implicit priors and integrates robust optimization techniques, making it resilient to outliers while relaxing the reliance on Gaussian noise assumptions. To further improve optimization stability and robustness, we introduce three key innovations: guided input initialization, input perturbation, and convex output combination techniques. Each of these contributions strengthens the framework's optimization stability and robustness. These advancements make RINS-T a flexible and effective solution for addressing complex real-world time series challenges. Our code is available at https://github.com/EPFL-IMOS/RINS-T.
Authors: Tiezhi Wang, Wilhelm Haverkamp, Nils Strodthoff
Abstract: The electrocardiogram (ECG) exemplifies biosignal-based time series with continuous, temporally ordered structure reflecting cardiac physiological and pathophysiological dynamics. Detailed analysis of these dynamics has proven challenging, as conventional methods capture either global trends or local waveform features but rarely their simultaneous interplay at high temporal resolution. To bridge global and local signal analysis, we introduce S4ECG, a novel deep learning architecture leveraging structured state space models for multi-epoch arrhythmia classification. Our joint multi-epoch predictions significantly outperform single-epoch approaches by 1.0-11.6% in macro-AUROC, with atrial fibrillation specificity improving from 0.718-0.979 to 0.967-0.998, demonstrating superior performance in-distribution and enhanced out-of-distribution robustness. Systematic investigation reveals optimal temporal dependency windows spanning 10-20 minutes for peak performance. This work contributes to a paradigm shift toward temporally-aware arrhythmia detection algorithms, opening new possibilities for ECG interpretation, in particular for complex arrhythmias like atrial fibrillation and atrial flutter.
Authors: Hequn Li, Zhongwei Deng, Chunlin Jiang, Yvxin He andZhansheng Ning
Abstract: Accurate prediction of lithium-ion battery capacity and its associated uncertainty is essential for reliable battery management but remains challenging due to the stochastic nature of aging. This paper presents a novel method, termed the Condition Diffusion U-Net with Attention (CDUA), which integrates feature engineering and deep learning to address this challenge. The proposed approach employs a diffusion-based generative model for time-series forecasting and incorporates attention mechanisms to enhance predictive performance. Battery capacity is first derived from real-world vehicle operation data. The most relevant features are then identified using the Pearson correlation coefficient and the XGBoost algorithm. These features are used to train the CDUA model, which comprises two core components: (1) a contextual U-Net with self-attention to capture complex temporal dependencies, and (2) a denoising network to reconstruct accurate capacity values from noisy observations. Experimental validation on the real-world vehicle data demonstrates that the proposed CDUA model achieves a relative Mean Absolute Error (MAE) of 0.94% and a relative Root Mean Square Error (RMSE) of 1.14%, with a narrow 95% confidence interval of 3.74% in relative width. These results confirm that CDUA provides both accurate capacity estimation and reliable uncertainty quantification. Comparative experiments further verify its robustness and superior performance over existing mainstream approaches.
Authors: Duo Su, Huyu Wu, Huanran Chen, Yiming Shi, Yuzhu Wang, Xi Ye, Jun Zhu
Abstract: Dataset distillation aims to synthesize compact yet informative datasets from large ones. A significant challenge in this field is achieving a trifecta of diversity, generalization, and representativeness in a single distilled dataset. Although recent generative dataset distillation methods adopt powerful diffusion models as their foundation models, the inherent representativeness prior in diffusion models is overlooked. Consequently, these approaches often necessitate the integration of external constraints to enhance data quality. To address this, we propose Diffusion As Priors (DAP), which formalizes representativeness by quantifying the similarity between synthetic and real data in feature space using a Mercer kernel. We then introduce this prior as guidance to steer the reverse diffusion process, enhancing the representativeness of distilled samples without any retraining. Extensive experiments on large-scale datasets, such as ImageNet-1K and its subsets, demonstrate that DAP outperforms state-of-the-art methods in generating high-fidelity datasets while achieving superior cross-architecture generalization. Our work not only establishes a theoretical connection between diffusion priors and the objectives of dataset distillation but also provides a practical, training-free framework for improving the quality of the distilled dataset.
Authors: Li Sun, Zhenhao Huang, Ming Zhang, Philip S. Yu
Abstract: Message Passing Neural Networks (MPNNs) is the building block of graph foundation models, but fundamentally suffer from oversmoothing and oversquashing. There has recently been a surge of interest in fixing both issues. Existing efforts primarily adopt global approaches, which may be beneficial in some regions but detrimental in others, ultimately leading to the suboptimal expressiveness. In this paper, we begin by revisiting oversquashing through a global measure -- spectral gap $\lambda$ -- and prove that the increase of $\lambda$ leads to gradient vanishing with respect to the input features, thereby undermining the effectiveness of message passing. Motivated by such theoretical insights, we propose a \textbf{local} approach that adaptively adjusts message passing based on local structures. To achieve this, we connect local Riemannian geometry with MPNNs, and establish a novel nonhomogeneous boundary condition to address both oversquashing and oversmoothing. Building on the Robin condition, we design a GBN network with local bottleneck adjustment, coupled with theoretical guarantees. Extensive experiments on homophilic and heterophilic graphs show the expressiveness of GBN. Furthermore, GBN does not exhibit performance degradation even when the network depth exceeds $256$ layers.
Authors: Ayrat Abdullin, Denis Anikiev, Umair bin Waheed
Abstract: Deep neural networks like PhaseNet show high accuracy in detecting microseismic events, but their black-box nature is a concern in critical applications. We apply explainable AI (XAI) techniques, such as Gradient-weighted Class Activation Mapping (Grad-CAM) and Shapley Additive Explanations (SHAP), to interpret the PhaseNet model's decisions and improve its reliability. Grad-CAM highlights that the network's attention aligns with P- and S-wave arrivals. SHAP values quantify feature contributions, confirming that vertical-component amplitudes drive P-phase picks while horizontal components dominate S-phase picks, consistent with geophysical principles. Leveraging these insights, we introduce a SHAP-gated inference scheme that combines the model's output with an explanation-based metric to reduce errors. On a test set of 9,000 waveforms, the SHAP-gated model achieved an F1-score of 0.98 (precision 0.99, recall 0.97), outperforming the baseline PhaseNet (F1-score 0.97) and demonstrating enhanced robustness to noise. These results show that XAI can not only interpret deep learning models but also directly enhance their performance, providing a template for building trust in automated seismic detectors.
Authors: Dan Zheng, Jing Feng, Juan Liu
Abstract: Current research in Electrocardiogram (ECG) biometrics mainly emphasizes resting-state conditions, leaving the performance decline in rest-exercise scenarios largely unresolved. This paper introduces CrossStateECG, a robust ECG-based authentication model explicitly tailored for cross-state (rest-exercise) conditions. The proposed model creatively combines multi-scale deep convolutional feature extraction with attention mechanisms to ensure strong identification across different physiological states. Experimental results on the exercise-ECGID dataset validate the effectiveness of CrossStateECG, achieving an identification accuracy of 92.50% in the Rest-to-Exercise scenario (training on resting ECG and testing on post-exercise ECG) and 94.72% in the Exercise-to-Rest scenario (training on post-exercise ECG and testing on resting ECG). Furthermore, CrossStateECG demonstrates exceptional performance across both state combinations, reaching an accuracy of 99.94% in Rest-to-Rest scenarios and 97.85% in Mixed-to-Mixed scenarios. Additional validations on the ECG-ID and MIT-BIH datasets further confirmed the generalization abilities of CrossStateECG, underscoring its potential as a practical solution for post-exercise ECG-based authentication in dynamic real-world settings.
Authors: Jing Liu
Abstract: Transformers exhibit compositional reasoning on sequences not observed during training, a capability often attributed to in-context learning (ICL) and skill composition. We investigate this phenomenon using the Random Hierarchy Model (RHM), a probabilistic context-free grammar that generates sequences through recursive rule application. Models are trained on subsets of sequences and evaluated across four generalization conditions: memorization, in-distribution generalization, out-of-distribution generalization with the same rules, and cross-layer transfer. Behaviorally, performance improves systematically with task complexity and the number of in-context examples, with out-of-distribution tasks requiring substantially more examples than in-distribution scenarios. Mechanistically, we identify a progressive emergence of layer specialization during training that correlates with generalization performance. Principal component analysis and attention pattern clustering reveal that transformers develop structured, hierarchically organized representations in specialized layers. These results demonstrate that transformers develop modular, interpretable mechanisms supporting compositional reasoning, linking internal algorithmic structure to observed behavioral capabilities.
Authors: Fo Hu, Can Wang, Qinxu Zheng, Xusheng Yang, Bin Zhou, Gang Li, Yu Sun, Wen-an Zhang
Abstract: Significant inter-individual variability limits the generalization of EEG-based emotion recognition under cross-domain settings. We address two core challenges in multi-source adaptation: (1) dynamically modeling distributional heterogeneity across sources and quantifying their relevance to a target to reduce negative transfer; and (2) achieving fine-grained semantic consistency to strengthen class discrimination. We propose a distribution-aware multi-source domain adaptation network (DAMSDAN). DAMSDAN integrates prototype-based constraints with adversarial learning to drive the encoder toward discriminative, domain-invariant emotion representations. A domain-aware source weighting strategy based on maximum mean discrepancy (MMD) dynamically estimates inter-domain shifts and reweights source contributions. In addition, a prototype-guided conditional alignment module with dual pseudo-label interaction enhances pseudo-label reliability and enables category-level, fine-grained alignment, mitigating noise propagation and semantic drift. Experiments on SEED and SEED-IV show average accuracies of 94.86\% and 79.78\% for cross-subject, and 95.12\% and 83.15\% for cross-session protocols. On the large-scale FACED dataset, DAMSDAN achieves 82.88\% (cross-subject). Extensive ablations and interpretability analyses corroborate the effectiveness of the proposed framework for cross-domain EEG-based emotion recognition.
Authors: Guillaume Rongier, Luk Peeters
Abstract: High costs and uncertainties make subsurface decision-making challenging, as acquiring new data is rarely scalable. Embedding geological knowledge directly into predictive models offers a valuable alternative. A joint approach enables just that: process-based models that mimic geological processes can help train generative models that make predictions more efficiently. This study explores whether a generative adversarial network (GAN) - a type of deep-learning algorithm for generative modeling - trained to produce fluvial deposits can be inverted to match well and seismic data. Four inversion approaches applied to three test samples with 4, 8, and 20 wells struggled to match these well data, especially as the well number increased or as the test sample diverged from the training data. The key bottleneck lies in the GAN's latent representation: it is entangled, so samples with similar sedimentological features are not necessarily close in the latent space. Label conditioning or latent overparameterization can partially disentangle the latent space during training, although not yet sufficiently for a successful inversion. Fine-tuning the GAN to restructure the latent space locally reduces mismatches to acceptable levels for all test cases, with and without seismic data. But this approach depends on an initial, partially successful inversion step, which influences the quality and diversity of the final samples. Overall, GANs can already handle the tasks required for their integration into geomodeling workflows. We still need to further assess their robustness, and how to best leverage them in support of geological interpretation.
Authors: Aur\'elien Bellet, Edwige Cyffers, Davide Frey, Romaric Gaudel, Dimitri Ler\'ev\'erend, Fran\c{c}ois Ta\"iani
Abstract: Decentralized Learning (DL) enables users to collaboratively train models without sharing raw data by iteratively averaging local updates with neighbors in a network graph. This setting is increasingly popular for its scalability and its ability to keep data local under user control. Strong privacy guarantees in DL are typically achieved through Differential Privacy (DP), with results showing that DL can even amplify privacy by disseminating noise across peer-to-peer communications. Yet in practice, the observed privacy-utility trade-off often appears worse than in centralized training, which may be due to limitations in current DP accounting methods for DL. In this paper, we show that recent advances in centralized DP accounting based on Matrix Factorization (MF) for analyzing temporal noise correlations can also be leveraged in DL. By generalizing existing MF results, we show how to cast both standard DL algorithms and common trust models into a unified formulation. This yields tighter privacy accounting for existing DP-DL algorithms and provides a principled way to develop new ones. To demonstrate the approach, we introduce MAFALDA-SGD, a gossip-based DL algorithm with user-level correlated noise that outperforms existing methods on synthetic and real-world graphs.
Authors: Maxim Bolshim (ITMO University, Saint Petersburg, Russia), Alexander Kugaevskikh (ITMO University, Saint Petersburg, Russia)
Abstract: We introduce a methodology for analyzing neural networks through the lens of layer-wise Hessian matrices. The local Hessian of each functional block (layer) is defined as the matrix of second derivatives of a scalar function with respect to the parameters of that layer. This concept provides a formal tool for characterizing the local geometry of the parameter space. We show that the spectral properties of local Hessians, such as the distribution of eigenvalues, reveal quantitative patterns associated with overfitting, underparameterization, and expressivity in neural network architectures. We conduct an extensive empirical study involving 111 experiments across 37 datasets. The results demonstrate consistent structural regularities in the evolution of local Hessians during training and highlight correlations between their spectra and generalization performance. These findings establish a foundation for using local geometric analysis to guide the diagnosis and design of deep neural networks. The proposed framework connects optimization geometry with functional behavior and offers practical insight for improving network architectures and training stability.
Authors: Giacomo Camposampiero, Michael Hersche, Roger Wattenhofer, Abu Sebastian, Abbas Rahimi
Abstract: We introduce I-RAVEN-X, a symbolic benchmark designed to evaluate generalization and robustness in analogical and mathematical reasoning for Large Language Models (LLMs) and Large Reasoning Models (LRMs). I-RAVEN-X extends I-RAVEN by increasing operand complexity, attribute range, and introducing perceptual uncertainty. Compared to LLMs, empirical results show that LRMs achieve improved productivity and systematicity on longer reasoning relations and wider attribute ranges, respectively. However, LRMs are still significantly challenged by reasoning under uncertainty and cannot effectively explore multiple probabilistic outcomes.
Authors: El Mahdi Chayti, Martin Jaggi
Abstract: Stochastic difference-of-convex (DC) optimization is prevalent in numerous machine learning applications, yet its convergence properties under small batch sizes remain poorly understood. Existing methods typically require large batches or strong noise assumptions, which limit their practical use. In this work, we show that momentum enables convergence under standard smoothness and bounded variance assumptions (of the concave part) for any batch size. We prove that without momentum, convergence may fail regardless of stepsize, highlighting its necessity. Our momentum-based algorithm achieves provable convergence and demonstrates strong empirical performance.
Authors: Lachlan Ewen MacDonald, Hancheng Min, Leandro Palma, Salma Tarmoun, Ziqing Xu, Ren\'e Vidal
Abstract: Classical optimisation theory guarantees monotonic objective decrease for gradient descent (GD) when employed in a small step size, or ``stable", regime. In contrast, gradient descent on neural networks is frequently performed in a large step size regime called the ``edge of stability", in which the objective decreases non-monotonically with an observed implicit bias towards flat minima. In this paper, we take a step toward quantifying this phenomenon by providing convergence rates for gradient descent with large learning rates in an overparametrised least squares setting. The key insight behind our analysis is that, as a consequence of overparametrisation, the set of global minimisers forms a Riemannian manifold $M$, which enables the decomposition of the GD dynamics into components parallel and orthogonal to $M$. The parallel component corresponds to Riemannian gradient descent on the objective sharpness, while the orthogonal component is a bifurcating dynamical system. This insight allows us to derive convergence rates in three regimes characterised by the learning rate size: (a) the subcritical regime, in which transient instability is overcome in finite time before linear convergence to a suboptimally flat global minimum; (b) the critical regime, in which instability persists for all time with a power-law convergence toward the optimally flat global minimum; and (c) the supercritical regime, in which instability persists for all time with linear convergence to an orbit of period two centred on the optimally flat global minimum.
Authors: Hoang Pham, The-Anh Ta, Tom Jacobs, Rebekka Burkholz, Long Tran-Thanh
Abstract: Sparse neural networks promise efficiency, yet training them effectively remains a fundamental challenge. Despite advances in pruning methods that create sparse architectures, understanding why some sparse structures are better trainable than others with the same level of sparsity remains poorly understood. Aiming to develop a systematic approach to this fundamental problem, we propose a novel theoretical framework based on the theory of graph limits, particularly graphons, that characterizes sparse neural networks in the infinite-width regime. Our key insight is that connectivity patterns of sparse neural networks induced by pruning methods converge to specific graphons as networks' width tends to infinity, which encodes implicit structural biases of different pruning methods. We postulate the Graphon Limit Hypothesis and provide empirical evidence to support it. Leveraging this graphon representation, we derive a Graphon Neural Tangent Kernel (Graphon NTK) to study the training dynamics of sparse networks in the infinite width limit. Graphon NTK provides a general framework for the theoretical analysis of sparse networks. We empirically show that the spectral analysis of Graphon NTK correlates with observed training dynamics of sparse networks, explaining the varying convergence behaviours of different pruning methods. Our framework provides theoretical insights into the impact of connectivity patterns on the trainability of various sparse network architectures.
Authors: Hangcheng Cao, Baixiang Huang, Longzhi Yuan, Haonan An, Zihan Fang, Xianhao Chen, Yuguang Fang
Abstract: A driver's health state serves as a determinant factor in driving behavioral regulation. Subtle deviations from normalcy can lead to operational anomalies, posing risks to public transportation safety. While prior efforts have developed detection mechanisms for functionally-driven temporary anomalies such as drowsiness and distraction, limited research has addressed pathologically-triggered deviations, especially those stemming from chronic medical conditions. To bridge this gap, we investigate the driving behavior of Parkinson's disease patients and propose SAFE-D, a novel framework for detecting Parkinson-related behavioral anomalies to enhance driving safety. Our methodology starts by performing analysis of Parkinson's disease symptomatology, focusing on primary motor impairments, and establishes causal links to degraded driving performance. To represent the subclinical behavioral variations of early-stage Parkinson's disease, our framework integrates data from multiple vehicle control components to build a behavioral profile. We then design an attention-based network that adaptively prioritizes spatiotemporal features, enabling robust anomaly detection under physiological variability. Finally, we validate SAFE-D on the Logitech G29 platform and CARLA simulator, using data from three road maps to emulate real-world driving. Our results show SAFE-D achieves 96.8% average accuracy in distinguishing normal and Parkinson-affected driving patterns.
Authors: Canran Xiao, Chuangxin Zhao, Zong Ke, Fei Shen
Abstract: Long-tail imbalance is endemic to multi-label learning: a few head labels dominate the gradient signal, while the many rare labels that matter in practice are silently ignored. We tackle this problem by casting the task as a cooperative potential game. In our Curiosity-Driven Game-Theoretic Multi-Label Learning (CD-GTMLL) framework, the label space is split among several cooperating players that share a global accuracy payoff yet earn additional curiosity rewards that rise with label rarity and inter-player disagreement. These curiosity bonuses inject gradient on under-represented tags without hand-tuned class weights. We prove that gradient best-response updates ascend a differentiable potential and converge to tail-aware stationary points that tighten a lower bound on the expected Rare-F1. Extensive experiments on conventional benchmarks and three extreme-scale datasets show consistent state-of-the-art gains, delivering up to +4.3% Rare-F1 and +1.6% P@3 over the strongest baselines, while ablations reveal emergent division of labour and faster consensus on rare classes. CD-GTMLL thus offers a principled, scalable route to long-tail robustness in multi-label prediction.
Authors: Sidney Bender, Ole Delzer, Jan Herrmann, Heike Antje Marxfeld, Klaus-Robert M\"uller, Gr\'egoire Montavon
Abstract: Deep learning models remain vulnerable to spurious correlations, leading to so-called Clever Hans predictors that undermine robustness even in large-scale foundation and self-supervised models. Group distributional robustness methods, such as Deep Feature Reweighting (DFR) rely on explicit group labels to upweight underrepresented subgroups, but face key limitations: (1) group labels are often unavailable, (2) low within-group sample sizes hinder coverage of the subgroup distribution, and (3) performance degrades sharply when multiple spurious correlations fragment the data into even smaller groups. We propose Counterfactual Knowledge Distillation (CFKD), a framework that sidesteps these issues by generating diverse counterfactuals, enabling a human annotator to efficiently explore and correct the model's decision boundaries through a knowledge distillation step. Unlike DFR, our method not only reweights the undersampled groups, but it also enriches them with new data points. Our method does not require any confounder labels, achieves effective scaling to multiple confounders, and yields balanced generalization across groups. We demonstrate CFKD's efficacy across five datasets, spanning synthetic tasks to an industrial application, with particularly strong gains in low-data regimes with pronounced spurious correlations. Additionally, we provide an ablation study on the effect of the chosen counterfactual explainer and teacher model, highlighting their impact on robustness.
Authors: Wei Huang, Andi Han, Yujin Song, Yilan Chen, Denny Wu, Difan Zou, Taiji Suzuki
Abstract: The capacity of deep learning models is often large enough to both learn the underlying statistical signal and overfit to noise in the training set. This noise memorization can be harmful especially for data with a low signal-to-noise ratio (SNR), leading to poor generalization. Inspired by prior observations that label noise provides implicit regularization that improves generalization, in this work, we investigate whether introducing label noise to the gradient updates can enhance the test performance of neural network (NN) in the low SNR regime. Specifically, we consider training a two-layer NN with a simple label noise gradient descent (GD) algorithm, in an idealized signal-noise data setting. We prove that adding label noise during training suppresses noise memorization, preventing it from dominating the learning process; consequently, label noise GD enjoys rapid signal growth while the overfitting remains controlled, thereby achieving good generalization despite the low SNR. In contrast, we also show that NN trained with standard GD tends to overfit to noise in the same low SNR setting and establish a non-vanishing lower bound on its test error, thus demonstrating the benefit of introducing label noise in gradient-based training.
Authors: Jiayi Huang, Sangwoo Park, Nicola Paoletti, Osvaldo Simeone
Abstract: Edge intelligence enables low-latency inference via compact on-device models, but assuring reliability remains challenging. We study edge-cloud cascades that must preserve conditional coverage: whenever the edge returns a prediction set, it should contain the true label with a user-specified probability, as if produced by the cloud model. We formalize conditional coverage with respect to the cloud predictive distribution, and introduce a conformal alignment-based (CAb) cascading mechanism that certifies this property with user control over the risk level. Our method casts escalation from edge to cloud models as a multiple-hypothesis testing (MHT) problem, tailoring conformal alignment (CA) to select which inputs can be safely handled at the edge. The proposed CAb model cascading method yields statistical guarantees on the average fraction of edge decisions that satisfy cloud-level conditional coverage. The procedure applies to arbitrary edge prediction sets, including variants of conformal prediction (CP), and exposes a tunable trade-off among coverage, deferral rate, and set size. Experiments on CIFAR-100 image classification and the TeleQnA question-answering (QA) benchmark show that the proposed CAb cascade maintains the target conditional coverage for edge predictions while substantially reducing offloading to the cloud and incurring modest increases in prediction-set size.
Authors: Yichen Liu, Yan Lin, Shengnan Guo, Zeyu Zhou, Youfang Lin, Huaiyu Wan
Abstract: Vehicle GPS trajectories record how vehicles move over time, storing valuable travel semantics, including movement patterns and travel purposes. Learning travel semantics effectively and efficiently is crucial for real-world applications of trajectory data, which is hindered by two major challenges. First, travel purposes are tied to the functions of the roads and points-of-interest (POIs) involved in a trip. Such information is encoded in textual addresses and descriptions and introduces heavy computational burden to modeling. Second, real-world trajectories often contain redundant points, which harm both computational efficiency and trajectory embedding quality. To address these challenges, we propose TrajMamba, a novel approach for efficient and semantically rich vehicle trajectory learning. TrajMamba introduces a Traj-Mamba Encoder that captures movement patterns by jointly modeling both GPS and road perspectives of trajectories, enabling robust representations of continuous travel behaviors. It also incorporates a Travel Purpose-aware Pre-training procedure to integrate travel purposes into the learned embeddings without introducing extra overhead to embedding calculation. To reduce redundancy in trajectories, TrajMamba features a Knowledge Distillation Pre-training scheme to identify key trajectory points through a learnable mask generator and obtain effective compressed trajectory embeddings. Extensive experiments on two real-world datasets and three downstream tasks show that TrajMamba outperforms state-of-the-art baselines in both efficiency and accuracy.
Authors: Fran\c{c}ois Fleuret
Abstract: We propose an extension of the decoder Transformer that conditions its generative process on random latent variables which are learned without supervision thanks to a variational procedure. Experimental evaluations show that allowing such a conditioning translates into substantial improvements on downstream tasks.
Authors: Dennis Wagner, Arjun Nair, Billy Joe Franks, Justus Arweiler, Aparna Muraleedharan, Indra Jungjohann, Fabian Hartung, Mayank C. Ahuja, Andriy Balinskyy, Saurabh Varshneya, Nabeel Hussain Syed, Mayank Nagda, Phillip Liznerski, Steffen Reithermann, Maja Rudolph, Sebastian Vollmer, Ralf Schulz, Torsten Katz, Stephan Mandt, Michael Bortz, Heike Leitte, Daniel Neider, Jakob Burger, Fabian Jirasek, Hans Hasse, Sophie Fellenz, Marius Kloft
Abstract: Undetected anomalies in time series can trigger catastrophic failures in safety-critical systems, such as chemical plant explosions or power grid outages. Although many detection methods have been proposed, their performance remains unclear because current metrics capture only narrow aspects of the task and often yield misleading results. We address this issue by introducing verifiable properties that formalize essential requirements for evaluating time-series anomaly detection. These properties enable a theoretical framework that supports principled evaluations and reliable comparisons. Analyzing 37 widely used metrics, we show that most satisfy only a few properties, and none satisfy all, explaining persistent inconsistencies in prior results. To close this gap, we propose LARM, a flexible metric that provably satisfies all properties, and extend it to ALARM, an advanced variant meeting stricter requirements.
Authors: Lindsay Spoor, \'Alvaro Serra-G\'omez, Aske Plaat, Thomas Moerland
Abstract: In safety-critical domains such as robotics, navigation and power systems, constrained optimization problems arise where maximizing performance must be carefully balanced with associated constraints. Safe reinforcement learning provides a framework to address these challenges, with Lagrangian methods being a popular choice. However, the effectiveness of Lagrangian methods crucially depends on the choice of the Lagrange multiplier $\lambda$, which governs the trade-off between return and constraint cost. A common approach is to update the multiplier automatically during training. Although this is standard in practice, there remains limited empirical evidence on the robustness of an automated update and its influence on overall performance. Therefore, we analyze (i) optimality and (ii) stability of Lagrange multipliers in safe reinforcement learning across a range of tasks. We provide $\lambda$-profiles that give a complete visualization of the trade-off between return and constraint cost of the optimization problem. These profiles show the highly sensitive nature of $\lambda$ and moreover confirm the lack of general intuition for choosing the optimal value $\lambda^*$. Our findings additionally show that automated multiplier updates are able to recover and sometimes even exceed the optimal performance found at $\lambda^*$ due to the vast difference in their learning trajectories. Furthermore, we show that automated multiplier updates exhibit oscillatory behavior during training, which can be mitigated through PID-controlled updates. However, this method requires careful tuning to achieve consistently better performance across tasks. This highlights the need for further research on stabilizing Lagrangian methods in safe reinforcement learning. The code used to reproduce our results can be found at https://github.com/lindsayspoor/Lagrangian_SafeRL.
Authors: Jyler Menard, R. A. Mansbach
Abstract: Antimicrobial peptides (AMPs) are a promising class of therapeutics to treat bacterial infections. Discovering and designing such peptides is difficult because of the vast number of possible sequences of amino acids. Deep generative models, such as variational autoencoders, have shown value in peptide design due to their ability to model sequence space with a continuous-valued latent space. Although such models have already been used to great effect in biomolecular design, they still suffer from a lack of interpretability and rigorous quantification of latent space quality as a search space. We investigate (1) whether further compression of the design space via dimensionality reduction may facilitate optimization, (2) the interpretability of the spaces, and (3) how organizing latent spaces with physicochemical properties may improve the efficiency of optimizing antimicrobial activity. We find that further reduction of the latent space via dimensionality reduction can be advantageous when organizing the space with more relevant information at data availability, that using the dimensionality reduction search space can be more interpretable, and that we can organize the latent space with different physicochemical properties even at different percentages of available labels.
Authors: Ludi Li, Junbin Mao, Hanhe Lin, Xu Tian, Fang-Xiang Wu, Jin Liu
Abstract: Multi-pulse magnetic resonance imaging (MRI) is widely utilized for clinical practice such as Alzheimer's disease diagnosis. To train a robust model for multi-pulse MRI classification, it requires large and diverse data from various medical institutions while protecting privacy by preventing raw data sharing across institutions. Although federated learning (FL) is a feasible solution to address this issue, it poses challenges of model convergence due to the effect of data heterogeneity and substantial communication overhead due to large numbers of parameters transmitted within the model. To address these challenges, we propose CEPerFed, a communication-efficient personalized FL method. It mitigates the effect of data heterogeneity by incorporating client-side historical risk gradients and historical mean gradients to coordinate local and global optimization. The former is used to weight the contributions from other clients, enhancing the reliability of local updates, while the latter enforces consistency between local updates and the global optimization direction to ensure stable convergence across heterogeneous data distributions. To address the high communication overhead, we propose a hierarchical SVD (HSVD) strategy that transmits only the most critical information required for model updates. Experiments on five classification tasks demonstrate the effectiveness of the CEPerFed method. The code will be released upon acceptance at https://github.com/LD0416/CEPerFed.
Authors: Athanasios Angelakis, Amne Mousa, Micah L. A. Heldeweg, Laurens A. Biesheuvel, Mark A. Haaksma, Jasper M. Smit, Pieter R. Tuinman, Paul W. G. Elbers
Abstract: Differentiating cardiogenic pulmonary oedema (CPE) from non-cardiogenic and structurally normal lungs in lung ultrasound (LUS) videos remains challenging due to the high visual variability of non-cardiogenic inflammatory patterns (NCIP/ARDS-like), interstitial lung disease, and healthy lungs. This heterogeneity complicates automated classification as overlapping B-lines and pleural artefacts are common. We introduce ZACH-ViT (Zero-token Adaptive Compact Hierarchical Vision Transformer), a 0.25 M-parameter Vision Transformer variant that removes both positional embeddings and the [CLS] token, making it fully permutation-invariant and suitable for unordered medical image data. To enhance generalization, we propose ShuffleStrides Data Augmentation (SSDA), which permutes probe-view sequences and frame orders while preserving anatomical validity. ZACH-ViT was evaluated on 380 LUS videos from 95 critically ill patients against nine state-of-the-art baselines. Despite the heterogeneity of the non-cardiogenic group, ZACH-ViT achieved the highest validation and test ROC-AUC (0.80 and 0.79) with balanced sensitivity (0.60) and specificity (0.91), while all competing models collapsed to trivial classification. It trains 1.35x faster than Minimal ViT (0.62M parameters) with 2.5x fewer parameters, supporting real-time clinical deployment. These results show that aligning architectural design with data structure can outperform scale in small-data medical imaging.
Authors: Vaishnavi Visweswaraiah, Tanvi Banerjee, William Romine
Abstract: Suicide prediction is the key for prevention, but real data with sufficient positive samples is rare and causes extreme class imbalance. We utilized machine learning (ML) to build the model and deep learning (DL) techniques, like Generative Adversarial Networks (GAN), to generate synthetic data samples to enhance the dataset. The initial dataset contained 656 samples, with only four positive cases, prompting the need for data augmentation. A variety of machine learning models, ranging from interpretable data models to black box algorithmic models, were used. On real test data, Logistic Regression (LR) achieved a weighted precision of 0.99, a weighted recall of 0.85, and a weighted F1 score of 0.91; Random Forest (RF) showed 0.98, 0.99, and 0.99, respectively; and Support Vector Machine (SVM) achieved 0.99, 0.76, and 0.86. LR and SVM correctly identified one suicide attempt case (sensitivity:1.0) and misclassified LR(20) and SVM (31) non-attempts as attempts (specificity: 0.85 & 0.76, respectively). RF identified 0 suicide attempt cases (sensitivity: 0.0) with 0 false positives (specificity: 1.0). These results highlight the models' effectiveness, with GAN playing a key role in generating synthetic data to support suicide prevention modeling efforts.
Authors: Yehonathan Refael, Amit Aides, Aviad Barzilai, George Leifman, Genady Beryozkin, Vered Silverman, Bolous Jaber, Tomer Shekel
Abstract: Open-vocabulary object detection (OVD) models offer remarkable flexibility by detecting objects from arbitrary text queries. However, their zero-shot performance in specialized domains like Remote Sensing (RS) is often compromised by the inherent ambiguity of natural language, limiting critical downstream applications. For instance, an OVD model may struggle to distinguish between fine-grained classes such as "fishing boat" and "yacht" since their embeddings are similar and often inseparable. This can hamper specific user goals, such as monitoring illegal fishing, by producing irrelevant detections. To address this, we propose a cascaded approach that couples the broad generalization of a large pre-trained OVD model with a lightweight few-shot classifier. Our method first employs the zero-shot model to generate high-recall object proposals. These proposals are then refined for high precision by a compact classifier trained in real-time on only a handful of user-annotated examples - drastically reducing the high costs of RS imagery annotation.The core of our framework is FLAME, a one-step active learning strategy that selects the most informative samples for training. FLAME identifies, on the fly, uncertain marginal candidates near the decision boundary using density estimation, followed by clustering to ensure sample diversity. This efficient sampling technique achieves high accuracy without costly full-model fine-tuning and enables instant adaptation, within less then a minute, which is significantly faster than state-of-the-art alternatives.Our method consistently surpasses state-of-the-art performance on RS benchmarks, establishing a practical and resource-efficient framework for adapting foundation models to specific user needs.
Authors: Katarzyna Kobalczyk, Zhiyuan Jerry Lin, Benjamin Letham, Zhuokai Zhao, Maximilian Balandat, Eytan Bakshy
Abstract: For many real-world applications, feedback is essential in translating complex, nuanced, or subjective goals into quantifiable optimization objectives. We propose a language-in-the-loop framework that uses a large language model (LLM) to convert unstructured feedback in the form of natural language into scalar utilities to conduct BO over a numeric search space. Unlike preferential BO, which only accepts restricted feedback formats and requires customized models for each domain-specific problem, our approach leverages LLMs to turn varied types of textual feedback into consistent utility signals and to easily include flexible user priors without manual kernel design. At the same time, our method maintains the sample efficiency and principled uncertainty quantification of BO. We show that this hybrid method not only provides a more natural interface to the decision maker but also outperforms conventional BO baselines and LLM-only optimizers, particularly in feedback-limited regimes.
Authors: Xihong Su
Abstract: This dissertation makes three main contributions. First, We identify a new connection between policy gradient and dynamic programming in MMDPs and propose the Coordinate Ascent Dynamic Programming (CADP) algorithm to compute a Markov policy that maximizes the discounted return averaged over the uncertain models. CADP adjusts model weights iteratively to guarantee monotone policy improvements to a local maximum. Second, We establish sufficient and necessary conditions for the exponential ERM Bellman operator to be a contraction and prove the existence of stationary deterministic optimal policies for ERM-TRC and EVaR-TRC. We also propose exponential value iteration, policy iteration, and linear programming algorithms for computing optimal stationary policies for ERM-TRC and EVaR-TRC. Third, We propose model-free Q-learning algorithms for computing policies with risk-averse objectives: ERM-TRC and EVaR-TRC. The challenge is that Q-learning ERM Bellman may not be a contraction. Instead, we use the monotonicity of Q-learning ERM Bellman operators to derive a rigorous proof that the ERM-TRC and the EVaR-TRC Q-learning algorithms converge to the optimal risk-averse value functions. The proposed Q-learning algorithms compute the optimal stationary policy for ERM-TRC and EVaR-TRC.
Authors: Akhil S Anand, Shambhuraj Sawant, Jasper Hoffmann, Dirk Reinhardt, Sebastien Gros
Abstract: Sim2Real aims at training policies in high-fidelity simulation environments and effectively transferring them to the real world. Despite the developments of accurate simulators and Sim2Real RL approaches, the policies trained purely in simulation often suffer significant performance drops when deployed in real environments. This drop is referred to as the Sim2Real performance gap. Current Sim2Real RL methods optimize the simulator accuracy and variability as proxies for real-world performance. However, these metrics do not necessarily correlate with the real-world performance of the policy as established theoretically and empirically in the literature. We propose a novel framework to address this issue by directly adapting the simulator parameters based on real-world performance. We frame this problem as a bi-level RL framework: the inner-level RL trains a policy purely in simulation, and the outer-level RL adapts the simulation model and in-sim reward parameters to maximize real-world performance of the in-sim policy. We derive and validate in simple examples the mathematical tools needed to develop bi-level RL algorithms that close the Sim2Real performance gap.
Authors: Ege Beyazit, KL Navaneet, Prashant Mathur, Roi Blanco, Vidit Bansal, Karim Bouyarmane
Abstract: Black-box Large Language Models (LLMs) provide practical and accessible alternatives to other machine learning methods, as they require minimal labeled data and machine learning expertise to develop solutions for various decision making problems. However, for applications that need operating with constraints on specific metrics (e.g., precision $\geq$ 95%), decision making with black-box LLMs remains unfavorable, due to their low numerical output cardinalities. This results in limited control over their operating points, preventing fine-grained adjustment of their decision making behavior. In this paper, we study using black-box LLMs as classifiers, focusing on efficiently improving their operational granularity without performance loss. Specifically, we first investigate the reasons behind their low-cardinality numerical outputs and show that they are biased towards generating rounded but informative verbalized probabilities. Then, we experiment with standard prompt engineering, uncertainty estimation and confidence elicitation techniques, and observe that they do not effectively improve operational granularity without sacrificing performance or increasing inference cost. Finally, we propose efficient approaches to significantly increase the number and diversity of available operating points. Our proposed approaches provide finer-grained operating points and achieve comparable to or better performance than the benchmark methods across 11 datasets and 3 LLMs.
Authors: Younghyun Koo, Maryam Rahnemoonfar
Abstract: As an increasing amount of remote sensing data becomes available in the Arctic Ocean, data-driven machine learning (ML) techniques are becoming widely used to predict sea ice velocity (SIV) and sea ice concentration (SIC). However, fully data-driven ML models have limitations in generalizability and physical consistency due to their excessive reliance on the quantity and quality of training data. In particular, as Arctic sea ice entered a new phase with thinner ice and accelerated melting, there is a possibility that an ML model trained with historical sea ice data cannot fully represent the dynamically changing sea ice conditions in the future. In this study, we develop physics-informed neural network (PINN) strategies to integrate physical knowledge of sea ice into the ML model. Based on the Hierarchical Information-sharing U-net (HIS-Unet) architecture, we incorporate the physics loss function and the activation function to produce physically plausible SIV and SIC outputs. Our PINN model outperforms the fully data-driven model in the daily predictions of SIV and SIC, even when trained with a small number of samples. The PINN approach particularly improves SIC predictions in melting and early freezing seasons and near fast-moving ice regions.
Authors: Ryan A. Robinett, Sophia A. Madejski, Kyle Ruark, Samantha J. Riesenfeld, Lorenzo Orecchia
Abstract: Despite the popularity of the manifold hypothesis, current manifold-learning methods do not support machine learning directly on the latent $d$-dimensional data manifold, as they primarily aim to perform dimensionality reduction into $\mathbb{R}^D$, losing key manifold features when the embedding dimension $D$ approaches $d$. On the other hand, methods that directly learn the latent manifold as a differentiable atlas have been relatively underexplored. In this paper, we aim to give a proof of concept of the effectiveness and potential of atlas-based methods. To this end, we implement a generic data structure to maintain a differentiable atlas that enables Riemannian optimization over the manifold. We complement this with an unsupervised heuristic that learns a differentiable atlas from point cloud data. We experimentally demonstrate that this approach has advantages in terms of efficiency and accuracy in selected settings. Moreover, in a supervised classification task over the Klein bottle and in RNA velocity analysis of hematopoietic data, we showcase the improved interpretability and robustness of our approach.
Authors: Jackson Harmon, Andreas Hochlehnert, Matthias Bethge, Ameya Prabhu
Abstract: Scaled post-training now drives many of the largest capability gains in language models (LMs), yet its effect on pretrained knowledge remains poorly understood. Not all forgetting is equal: Forgetting one fact (e.g., a U.S. president or an API call) does not "average out" by recalling another. Hence, we propose a sample-wise paradigm to measure what is forgotten and when backward transfer occurs. Our metric counts 1->0 transitions (correct before post-training, incorrect after) to quantify forgetting and 0->1 transitions to quantify backward transfer. Traditional task averages conflate these effects and obscure large changes. For multiple-choice benchmarks, we add chance-adjusted variants that subtract the expected contribution of random guessing from pre- and post-training accuracies. We apply this framework across post-training stages, model sizes, and data scales. Our large-scale analysis shows that: (1) Domain-continual pretraining induces moderate forgetting with low-to-moderate backward transfer; (2) RL/SFT post-training applied to base models and Instruction tuning yields moderate-to-large backward transfer on math and logic with overall low-to-moderate forgetting; (3) Applying RL/SFT to instruction-tuned models is sensitive on data scale: at small scales, both forgetting and backward transfer are small; at larger scales, effects are mixed and warrant further study with better controls; (4) Model merging does not reliably mitigate forgetting. Overall, our framework offers a practical yardstick for mapping how post-training alters pretrained knowledge at scale -- enabling progress towards generally capable AI systems.
Authors: Adam Stecklov, Noah El Rimawi-Fine, Mathieu Blanchette
Abstract: Allocating extra computation at inference time has recently improved sample quality in large language models and diffusion-based image generation. In parallel, Flow Matching (FM) has gained traction in language, vision, and scientific domains, but inference-time scaling methods for it remain under-explored. Concurrently, Kim et al., 2025 approach this problem but replace the linear interpolant with a non-linear variance-preserving (VP) interpolant at inference, sacrificing FM's efficient and straight sampling. Additionally, inference-time compute scaling for flow matching has only been applied to visual tasks, like image generation. We introduce novel inference-time scaling procedures for FM that preserve the linear interpolant during sampling. Evaluations of our method on image generation, and for the first time (to the best of our knowledge), unconditional protein generation, show that I) sample quality consistently improves as inference compute increases, and II) flow matching inference-time scaling can be applied to scientific domains.
Authors: Omer Haq
Abstract: Modern probabilistic regressors often remain overconfident under distribution shift. We present Functional Distribution Networks (FDN), an input-conditioned distribution over network weights that induces predictive mixtures whose dispersion adapts to the input. FDN is trained with a beta-ELBO and Monte Carlo sampling. We further propose an evaluation protocol that cleanly separates interpolation from extrapolation and stresses OOD sanity checks (e.g., that predictive likelihood degrades under shift while in-distribution accuracy and calibration are maintained). On standard regression tasks, we benchmark against strong Bayesian, ensemble, dropout, and hypernetwork baselines under matched parameter and update budgets, and assess accuracy, calibration, and shift-awareness with standard diagnostics. Together, the framework and protocol aim to make OOD-aware, well-calibrated neural regression practical and modular.
Authors: Rui Pan, Yang Luo, Yuxing Liu, Yang You, Tong Zhang
Abstract: Memory-efficient optimization is critical for training increasingly large language models (LLMs). A popular strategy involves gradient low-rank projection, storing only the projected optimizer states, with GaLore being a representative example. However, a significant drawback of many such methods is their lack of convergence guarantees, as various low-rank projection approaches introduce inherent biases relative to the original optimization algorithms, which contribute to performance gaps compared to full-parameter training. Aiming to tackle this problem, this paper investigates the layerwise sampling technique for debiasing low-rank projection mechanisms. In particular, an instantiation of the paradigm gives rise to a novel and unbiased low-rank optimization method built upon GaLore's mechanism and the Muon algorithm, named GaLore Unbiased with Muon (GUM). We theoretically prove our method matches the convergence guarantees of the base Muon algorithm while preserving the memory efficiency of low-rank techniques. Empirical experiments on LLM fine-tuning and pretraining also demonstrate non-trivial improvements over GaLore and even better performance than full-parameter training. Further investigation shows that the improvement of this technique comes from a more uniform distribution of knowledge inside layers, leading to more efficient utilization of the model parameter space and better memorization.
Authors: Qianru Zhang, Yuting Sun, Honggang Wen, Peng Yang, Xinzhu Li, Ming Li, Kwok-Yan Lam, Siu-Ming Yiu, Hongzhi Yin
Abstract: Frequency-domain analysis has emerged as a powerful paradigm for time series analysis, offering unique advantages over traditional time-domain approaches while introducing new theoretical and practical challenges. This survey provides a comprehensive examination of spectral methods from classical Fourier analysis to modern neural operators, systematically summarizing three open challenges in current research: (1) causal structure preservation during spectral transformations, (2) uncertainty quantification in learned frequency representations, and (3) topology-aware analysis for non-Euclidean data structures. Through rigorous reviewing of over 100 studies, we develop a unified taxonomy that bridges conventional spectral techniques with cutting-edge machine learning approaches, while establishing standardized benchmarks for performance evaluation. Our work identifies key knowledge gaps in the field, particularly in geometric deep learning and quantum-enhanced spectral analysis. The survey offers practitioners a systematic framework for method selection and implementation, while charting promising directions for future research in this rapidly evolving domain.
Authors: Davide Basso, Luca Bortolussi, Mirjana Videnovic-Misic, Husni Habal
Abstract: The adoption of machine learning-based techniques for analog integrated circuit layout, unlike its digital counterpart, has been limited by the stringent requirements imposed by electric and problem-specific constraints, along with the interdependence of floorplanning and routing steps. In this work, we address a prevalent concern among layout engineers regarding the need for readily available routing-aware floorplanning solutions. To this extent, we develop an automatic floorplanning engine based on reinforcement learning and relational graph convolutional neural network specifically tailored to condition the floorplan generation towards more routable outcomes. A combination of increased grid resolution and precise pin information integration, along with a dynamic routing resource estimation technique, allows balancing routing and area efficiency, eventually meeting industrial standards. When analyzing the place and route effectiveness in a simulated environment, the proposed approach achieves a 13.8% reduction in dead space, a 40.6% reduction in wirelength and a 73.4% increase in routing success when compared to past learning-based state-of-the-art techniques.
Authors: Chenguang Lu
Abstract: Does semantic communication require a semantic information theory parallel to Shannon's information theory, or can Shannon's work be generalized for semantic communication? This paper advocates for the latter and introduces a semantic generalization of Shannon's information theory (G theory for short). The core idea is to replace the distortion constraint with the semantic constraint, achieved by utilizing a set of truth functions as a semantic channel. These truth functions enable the expressions of semantic distortion, semantic information measures, and semantic information loss. Notably, the maximum semantic information criterion is equivalent to the maximum likelihood criterion and similar to the Regularized Least Squares criterion. This paper shows G theory's applications to daily and electronic semantic communication, machine learning, constraint control, Bayesian confirmation, portfolio theory, and information value. The improvements in machine learning methods involve multilabel learning and classification, maximum mutual information classification, mixture models, and solving latent variables. Furthermore, insights from statistical physics are discussed: Shannon information is similar to free energy; semantic information to free energy in local equilibrium systems; and information efficiency to the efficiency of free energy in performing work. The paper also proposes refining Friston's minimum free energy principle into the maximum information efficiency principle. Lastly, it compares G theory with other semantic information theories and discusses its limitation in representing the semantics of complex data.
Authors: Yun-Da Tsai, Chang-Yu Chao, Liang-Yeh Shen, Tsung-Han Lin, Haoyu Yang, Mark Ho, Yi-Chen Lu, Wen-Hao Liu, Shou-De Lin, Haoxing Ren
Abstract: Modern chip physical design relies heavily on Electronic Design Automation (EDA) tools, which often struggle to provide interpretable feedback or actionable guidance for improving routing congestion. In this work, we introduce a Multimodal Large Language Model Assistant (MLLMA) that bridges this gap by not only predicting congestion but also delivering human-interpretable design suggestions. Our method combines automated feature generation through MLLM-guided genetic prompting with an interpretable preference learning framework that models congestion-relevant tradeoffs across visual, tabular, and textual inputs. We compile these insights into a "Design Suggestion Deck" that surfaces the most influential layout features and proposes targeted optimizations. Experiments on the CircuitNet benchmark demonstrate that our approach outperforms existing models on both accuracy and explainability. Additionally, our design suggestion guidance case study and qualitative analyses confirm that the learned preferences align with real-world design principles and are actionable for engineers. This work highlights the potential of MLLMs as interactive assistants for interpretable and context-aware physical design optimization.
Authors: Ao Shen, Rui Zhang, Junping Zhao
Abstract: As large language models (LLMs) continue to scale, multi-node deployment has become a necessity. Consequently, communication has become a critical performance bottleneck. Current intra-node communication libraries, like NCCL, typically make use of a single interconnect such as NVLink. This approach creates performance ceilings, especially on hardware like the H800 GPU where the primary interconnect's bandwidth can become a bottleneck, and leaves other hardware resources like PCIe and Remote Direct Memory Access (RDMA)-capable Network Interface Cards (NICs) largely idle during intensive workloads. We propose FlexLink, the first collective communication framework to the best of our knowledge designed to systematically address this by aggregating these heterogeneous links-NVLink, PCIe, and RDMA NICs-into a single, high-performance communication fabric. FlexLink employs an effective two-stage adaptive load balancing strategy that dynamically partitions communication traffic across all available links, ensuring that faster interconnects are not throttled by slower ones. On an 8-GPU H800 server, our design improves the bandwidth of collective operators such as AllReduce and AllGather by up to 26% and 27% over the NCCL baseline, respectively. This gain is achieved by offloading 2-22% of the total communication traffic to the previously underutilized PCIe and RDMA NICs. FlexLink provides these improvements as a lossless, drop-in replacement compatible with the NCCL API, ensuring easy adoption.
Authors: Yang Li, Zhi Chen
Abstract: Traditional stochastic control methods in finance struggle in real world markets due to their reliance on simplifying assumptions and stylized frameworks. Such methods typically perform well in specific, well defined environments but yield suboptimal results in changed, non stationary ones. We introduce FinFlowRL, a novel framework for financial optimal stochastic control. The framework pretrains an adaptive meta policy learning from multiple expert strategies, then finetunes through reinforcement learning in the noise space to optimize the generative process. By employing action chunking generating action sequences rather than single decisions, it addresses the non Markovian nature of markets. FinFlowRL consistently outperforms individually optimized experts across diverse market conditions.
Authors: Ziv Ben-Zion, Paul Raffelh\"uschen, Max Zettl, Antonia L\"u\"ond, Achim Burrer, Philipp Homan, Tobias R Spiller
Abstract: AI companions powered by large language models (LLMs) are increasingly integrated into users' daily lives, offering emotional support and companionship. While existing safety systems focus on overt harms, they rarely address early-stage problematic behaviors that can foster unhealthy emotional dynamics, including over-attachment or reinforcement of social isolation. We developed SHIELD (Supervisory Helper for Identifying Emotional Limits and Dynamics), a LLM-based supervisory system with a specific system prompt that detects and mitigates risky emotional patterns before escalation. SHIELD targets five dimensions of concern: (1) emotional over-attachment, (2) consent and boundary violations, (3) ethical roleplay violations, (4) manipulative engagement, and (5) social isolation reinforcement. These dimensions were defined based on media reports, academic literature, existing AI risk frameworks, and clinical expertise in unhealthy relationship dynamics. To evaluate SHIELD, we created a 100-item synthetic conversation benchmark covering all five dimensions of concern. Testing across five prominent LLMs (GPT-4.1, Claude Sonnet 4, Gemma 3 1B, Kimi K2, Llama Scout 4 17B) showed that the baseline rate of concerning content (10-16%) was significantly reduced with SHIELD (to 3-8%), a 50-79% relative reduction, while preserving 95% of appropriate interactions. The system achieved 59% sensitivity and 95% specificity, with adaptable performance via prompt engineering. This proof-of-concept demonstrates that transparent, deployable supervisory systems can address subtle emotional manipulation in AI companions. Most development materials including prompts, code, and evaluation methods are made available as open source materials for research, adaptation, and deployment.
Authors: Agus Sudjianto, Sandi Setiawan
Abstract: This study introduces geometric algebra to decompose credit system relationships into their projective (correlation-like) and rotational (feedback-spiral) components. We represent economic states as multi-vectors in Clifford algebra, where bivector elements capture the rotational coupling between unemployment, consumption, savings, and credit utilization. This mathematical framework reveals interaction patterns invisible to conventional analysis: when unemployment and credit contraction enter simultaneous feedback loops, their geometric relationship shifts from simple correlation to dangerous rotational dynamics that characterize systemic crises.
Authors: Mikhail Bernadskiy, Peter Carson, Thomas Graham, Taylor Groves, Ho John Lee, Eric Yeh
Abstract: The unabated growth in AI workload demands is driving the need for concerted advances in compute, memory, and interconnect performance. As traditional semiconductor scaling slows, high-speed interconnects have emerged as the new scaling engine, enabling the creation of larger logical GPUs by linking many GPUs into a single, low-latency, high-bandwidth compute domain. While initial scale-up fabrics leveraged copper interconnects for their power and cost advantages, the maximum reach of passive electrical interconnects (approximately 1 meter) effectively limits the scale-up domain to within a single rack. The advent of 3D-stacked optics and logic offers a transformative, power-efficient scale-up solution for connecting hundreds of GPU packages (thousands of GPUs) across multiple data center racks. This work explores the design tradeoffs of scale-up technologies and demonstrates how frontier LLMs necessitate novel photonic solutions to achieve aggressive power and performance targets. We model the benefits of 3D CPO (Passage) enabled GPUs and switches within the scale-up domain when training Frontier Mixture of Experts (MoE) models exceeding one trillion parameters. Our results show that the substantial increases in bandwidth and radix enabled by 3D CPO allow for an 8X increase in scale-up capability. This affords new opportunities for multi-dimensional parallelism within the scale-up domain and results in a 2.7X reduction in time-to-train, unlocking unprecedented model scaling.
Authors: Kiran Thorat, Jiahui Zhao, Yaotian Liu, Amit Hasan, Hongwu Peng, Xi Xie, Bin Lei, Caiwen Ding
Abstract: Large Language Models (LLMs) are gaining prominence in various fields, thanks to their ability to generate high- quality content from human instructions. This paper delves into the field of chip design using LLMs, specifically in Power- Performance-Area (PPA) optimization and the generation of accurate Verilog codes for circuit designs. We introduce a novel framework VeriPPA designed to optimize PPA and generate Verilog code using LLMs. Our method includes a two-stage process where the first stage focuses on improving the functional and syntactic correctness of the generated Verilog codes, while the second stage focuses on optimizing the Verilog codes to meet PPA constraints of circuit designs, a crucial element of chip design. Our framework achieves an 81.37% success rate in syntactic correctness and 62.06% in functional correctness for code genera- tion, outperforming current state-of-the-art (SOTA) methods. On the RTLLM dataset. On the VerilogEval dataset, our framework achieves 99.56% syntactic correctness and 43.79% functional correctness, also surpassing SOTA, which stands at 92.11% for syntactic correctness and 33.57% for functional correctness. Furthermore, Our framework able to optimize the PPA of the designs. These results highlight the potential of LLMs in handling complex technical areas and indicate an encouraging development in the automation of chip design processes.
Authors: Emmanuel Boadi
Abstract: This study proposes a hybrid deep learning model for forecasting the price of Bitcoin, as the digital currency is known to exhibit frequent fluctuations. The models used are the Variational Mode Decomposition (VMD) and the Long Short-Term Memory (LSTM) network. First, VMD is used to decompose the original Bitcoin price series into Intrinsic Mode Functions (IMFs). Each IMF is then modeled using an LSTM network to capture temporal patterns more effectively. The individual forecasts from the IMFs are aggregated to produce the final prediction of the original Bitcoin Price Series. To determine the prediction power of the proposed hybrid model, a comparative analysis was conducted against the standard LSTM. The results confirmed that the hybrid VMD+LSTM model outperforms the standard LSTM across all the evaluation metrics, including RMSE, MAE and R2 and also provides a reliable 30-day forecast.
Authors: Chi-Sheng Chen, Aidan Hung-Wen Tsai
Abstract: This study presents a comprehensive empirical comparison between quantum machine learning (QML) and classical machine learning (CML) approaches in Automated Market Makers (AMM) and Decentralized Finance (DeFi) trading strategies through extensive backtesting on 10 models across multiple cryptocurrency assets. Our analysis encompasses classical ML models (Random Forest, Gradient Boosting, Logistic Regression), pure quantum models (VQE Classifier, QNN, QSVM), hybrid quantum-classical models (QASA Hybrid, QASA Sequence, QuantumRWKV), and transformer models. The results demonstrate that hybrid quantum models achieve superior overall performance with 11.2\% average return and 1.42 average Sharpe ratio, while classical ML models show 9.8\% average return and 1.47 average Sharpe ratio. The QASA Sequence hybrid model achieves the highest individual return of 13.99\% with the best Sharpe ratio of 1.76, demonstrating the potential of quantum-classical hybrid approaches in AMM and DeFi trading strategies.
Authors: Ye Qiao, Zhiheng Chen, Yifan Zhang, Yian Wang, Sitao Huang
Abstract: With the emergence of wearable devices and other embedded systems, deploying large language models (LLMs) on edge platforms has become an urgent need. However, this is challenging because of their high computational and memory demands. Although recent low-bit quantization methods (e.g., BitNet, DeepSeek) compress weights to as low as 1.58~bits with minimal accuracy loss, edge deployment is still constrained by limited on-chip resources, power budgets, and the often-neglected long latency of the prefill stage. We present \textbf{TeLLMe}, the first table-lookup-based ternary LLM accelerator for low-power edge FPGAs that fully supports both prefill and autoregressive decoding using 1.58-bit weights and 8-bit activations. TeLLMe incorporates several novel techniques, including (1) a table-lookup-based ternary matrix multiplication (TLMM) engine utilizing grouped activations and online precomputation for low resource utilization and high throughput; (2) a fine-grained analytic URAM-based weight buffer management scheme for efficient loading and compute engine access; (3) a streaming dataflow architecture that fuses floating-point element-wise operations with linear computations to hide latency; (4) a reversed-reordered prefill stage attention with fused attention operations for high memory efficiency; and (5) a resource-efficient specialized decoding stage attention. Under a 5~W power budget, TeLLMe delivers up to 25~tokens/s decoding throughput and 0.45--0.96~s time-to-first-token (TTFT) for 64--128 token prompts, marking a significant energy-efficiency advancement in LLM inference on edge FPGAs.
Authors: Brian Godwin Lim, Dominic Dayta, Benedict Ryan Tiu, Renzo Roel Tan, Len Patrick Dominic Garces, Kazushi Ikeda
Abstract: The intricate dynamics of stock markets have led to extensive research on models that are able to effectively explain their inherent complexities. This study leverages the econometrics literature to explore the dynamic factor model as an interpretable model with sufficient predictive capabilities for capturing essential market phenomena. Although the model has been extensively applied for predictive purposes, this study focuses on analyzing the extracted loadings and common factors as an alternative framework for understanding stock price dynamics. The results reveal novel insights into traditional market theories when applied to the Philippine Stock Exchange using the Kalman method and maximum likelihood estimation, with subsequent validation against the capital asset pricing model. Notably, a one-factor model extracts a common factor representing systematic or market dynamics similar to the composite index, whereas a two-factor model extracts common factors representing market trends and volatility. Furthermore, an application of the model for nowcasting the growth rates of the Philippine gross domestic product highlights the potential of the extracted common factors as viable real-time market indicators, yielding over a 34% decrease in the out-of-sample prediction error. Overall, the results underscore the value of dynamic factor analysis in gaining a deeper understanding of market price movement dynamics.
Authors: Kaitlyn Zhou, Kristina Gligori\'c, Myra Cheng, Michelle S. Lam, Vyoma Raman, Boluwatife Aminu, Caeley Woo, Michael Brockman, Hannah Cha, Dan Jurafsky
Abstract: Although language model-based chat systems are increasingly used in daily life, most Americans remain non-adopters of chat-based LLMs -- as of June 2025, 66% had never used ChatGPT. At the same time, LLM development and evaluation rely mainly on data from adopters (e.g., logs, preference data), focusing on the needs and tasks for a limited demographic group of adopters in terms of geographic location, education, and gender. In this position paper, we argue that incorporating non-adopter perspectives is essential for developing broadly useful and capable LLMs. We contend that relying on methods that focus primarily on adopters will risk missing a range of tasks and needs prioritized by non-adopters, entrenching inequalities in who benefits from LLMs, and creating oversights in model development and evaluation. To illustrate this claim, we conduct case studies with non-adopters and show: how non-adopter needs diverge from those of current users, how non-adopter needs point us towards novel reasoning tasks, and how to systematically integrate non-adopter needs via human-centered methods.
Authors: Jiani Huang, Amish Sethi, Matthew Kuo, Mayank Keoliya, Neelay Velingker, JungHo Jung, Ser-Nam Lim, Ziyang Li, Mayur Naik
Abstract: Multi-modal large language models (MLLMs) are making rapid progress toward general-purpose embodied agents. However, current training pipelines primarily rely on high-level vision-sound-text pairs and lack fine-grained, structured alignment between pixel-level visual content and textual semantics. To overcome this challenge, we propose ESCA, a new framework for contextualizing embodied agents through structured spatial-temporal understanding. At its core is SGClip, a novel CLIP-based, open-domain, and promptable model for generating scene graphs. SGClip is trained on 87K+ open-domain videos via a neurosymbolic learning pipeline, which harnesses model-driven self-supervision from video-caption pairs and structured reasoning, thereby eliminating the need for human-labeled scene graph annotations. We demonstrate that SGClip supports both prompt-based inference and task-specific fine-tuning, excelling in scene graph generation and action localization benchmarks. ESCA with SGClip consistently improves both open-source and commercial MLLMs, achieving state-of-the-art performance across two embodied environments. Notably, it significantly reduces agent perception errors and enables open-source models to surpass proprietary baselines.
Authors: Fernando Spadea, Oshani Seneviratne
Abstract: Most financial recommendation systems often fail to account for key behavioral and regulatory factors, leading to advice that is misaligned with user preferences, difficult to interpret, or unlikely to be followed. We present FLARKO (Financial Language-model for Asset Recommendation with Knowledge-graph Optimization), a novel framework that integrates Large Language Models (LLMs), Knowledge Graphs (KGs), and Kahneman-Tversky Optimization (KTO) to generate asset recommendations that are both profitable and behaviorally aligned. FLARKO encodes users' transaction histories and asset trends as structured KGs, providing interpretable and controllable context for the LLM. To demonstrate the adaptability of our approach, we develop and evaluate both a centralized architecture (CenFLARKO) and a federated variant (FedFLARKO). To our knowledge, this is the first demonstration of combining KTO for fine-tuning of LLMs for financial asset recommendation. We also present the first use of structured KGs to ground LLM reasoning over behavioral financial data in a federated learning (FL) setting. Evaluated on the FAR-Trans dataset, FLARKO consistently outperforms state-of-the-art recommendation baselines on behavioral alignment and joint profitability, while remaining interpretable and resource-efficient.
Authors: Luigi Foscari, Emanuele Guidotti, Nicol\`o Cesa-Bianchi, Tatjana Chavdarova, Alfio Ferrara
Abstract: We study the emergence of tacit collusion between adaptive trading agents in a stochastic market with endogenous price formation. Using a two-player repeated game between a market maker and a market taker, we characterize feasible and collusive strategy profiles that raise prices beyond competitive levels. We show that, when agents follow simple learning algorithms (e.g., gradient ascent) to maximize their own wealth, the resulting dynamics converge to collusive strategy profiles, even in highly liquid markets with small trade sizes. By highlighting how simple learning strategies naturally lead to tacit collusion, our results offer new insights into the dynamics of AI-driven markets.
Authors: Rui Gon\c{c}alves, Vitor Miguel Ribeiro, Roman Chertovskih, Ant\'onio Pedro Aguiar
Abstract: This study presents the implementation of a short-term forecasting system for price movements in exchange markets, using market depth data and a systematic procedure to enable a fully automated trading system. The case study focuses on the UK to Win Horse Racing market during the pre-live stage on the world's leading betting exchange, Betfair. Innovative convolutional attention mechanisms are introduced and applied to multiple recurrent neural networks and bi-dimensional convolutional recurrent neural network layers. Additionally, a novel padding method for convolutional layers is proposed, specifically designed for multivariate time series processing. These innovations are thoroughly detailed, along with their execution process. The proposed architectures follow a standard supervised learning approach, involving model training and subsequent testing on new data, which requires extensive pre-processing and data analysis. The study also presents a complete end-to-end framework for automated feature engineering and market interactions using the developed models in production. The key finding of this research is that all proposed innovations positively impact the performance metrics of the classification task under examination, thereby advancing the current state-of-the-art in convolutional attention mechanisms and padding methods applied to multivariate time series problems.
Authors: Diego Vallarino
Abstract: This paper evaluates the redistributive and efficiency impacts of expanding access to positive credit information in a financially excluded economy. Using microdata from Uruguay's 2021 household survey, we simulate three data regimes negative only, partial positive (Score+), and synthetic full visibility and assess their effects on access to credit, interest burden, and inequality. Our findings reveal that enabling broader data sharing substantially reduces financial costs, compresses interest rate dispersion, and lowers the Gini coefficient of credit burden. While partial visibility benefits a subset of the population, full synthetic access delivers the most equitable and efficient outcomes. The analysis positions credit data as a non-rival public asset with transformative implications for financial inclusion and poverty reduction.
Authors: Jahidul Arafat, Sanjaya Poudel, Fariha Tasmin, Md Kaosar Uddin, Eftakhar Ahmed Arnob
Abstract: Nanopore sequencing enables real-time long-read DNA sequencing with reads exceeding 10 kilobases, but inherent error rates of 12-15 percent present significant computational challenges for read alignment. The critical seed chaining step must connect exact k-mer matches between reads and reference genomes while filtering spurious matches, yet state-of-the-art methods rely on fixed gap penalty functions unable to adapt to varying genomic contexts including tandem repeats and structural variants. This paper presents RawHash3, a hybrid framework combining graph neural networks with classical dynamic programming for adaptive seed chaining that maintains real-time performance while providing statistical guarantees. We formalize seed chaining as graph learning where seeds constitute nodes with 12-dimensional feature vectors and edges encode 8-dimensional spatial relationships including gap consistency. Our architecture employs three-layer EdgeConv GNN with confidence-based method selection that dynamically switches between learned guidance and algorithmic fallback. Comprehensive evaluation on 1,000 synthetic nanopore reads with 5,200 test seeds demonstrates RawHash3 achieves 99.94 percent precision and 40.07 percent recall, representing statistically significant 25.0 percent relative improvement over baseline with p less than 0.001. The system maintains median inference latency of 1.59ms meeting real-time constraints, while demonstrating superior robustness with 100 percent success rate under 20 percent label corruption versus baseline degradation to 30.3 percent. Cross-validation confirms stability establishing graph neural networks as viable approach for production genomics pipelines.
Authors: Abdulrahman Alhaidari, Balaji Palanisamy, Prashant Krishnamurthy
Abstract: Billions of dollars are lost every year in DeFi platforms by transactions exploiting business logic or accounting vulnerabilities. Existing defenses focus on static code analysis, public mempool screening, attacker contract detection, or trusted off-chain monitors, none of which prevents exploits submitted through private relays or malicious contracts that execute within the same block. We present the first decentralized, fully on-chain learning framework that: (i) performs gas-prohibitive computation on Layer-2 to reduce cost, (ii) propagates verified model updates to Layer-1, and (iii) enables gas-bounded, low-latency inference inside smart contracts. A novel Proof-of-Improvement (PoIm) protocol governs the training process and verifies each decentralized micro update as a self-verifying training transaction. Updates are accepted by \textit{PoIm} only if they demonstrably improve at least one core metric (e.g., accuracy, F1-score, precision, or recall) on a public benchmark without degrading any of the other core metrics, while adversarial proposals get financially penalized through an adaptable test set for evolving threats. We develop quantization and loop-unrolling techniques that enable inference for logistic regression, SVM, MLPs, CNNs, and gated RNNs (with support for formally verified decision tree inference) within the Ethereum block gas limit, while remaining bit-exact to their off-chain counterparts, formally proven in Z3. We curate 298 unique real-world exploits (2020 - 2025) with 402 exploit transactions across eight EVM chains, collectively responsible for \$3.74 B in losses.
Authors: Jianzhu Yao, Hongxu Su, Taobo Liao, Zerui Cheng, Huan Zhang, Xuechao Wang, Pramod Viswanath
Abstract: Neural networks increasingly run on hardware outside the user's control (cloud GPUs, inference marketplaces). Yet ML-as-a-Service reveals little about what actually ran or whether returned outputs faithfully reflect the intended inputs. Users lack recourse against service downgrades (model swaps, quantization, graph rewrites, or discrepancies like altered ad embeddings). Verifying outputs is hard because floating-point(FP) execution on heterogeneous accelerators is inherently nondeterministic. Existing approaches are either impractical for real FP neural networks or reintroduce vendor trust. We present NAO: a Nondeterministic tolerance Aware Optimistic verification protocol that accepts outputs within principled operator-level acceptance regions rather than requiring bitwise equality. NAO combines two error models: (i) sound per-operator IEEE-754 worst-case bounds and (ii) tight empirical percentile profiles calibrated across hardware. Discrepancies trigger a Merkle-anchored, threshold-guided dispute game that recursively partitions the computation graph until one operator remains, where adjudication reduces to a lightweight theoretical-bound check or a small honest-majority vote against empirical thresholds. Unchallenged results finalize after a challenge window, without requiring trusted hardware or deterministic kernels. We implement NAO as a PyTorch-compatible runtime and a contract layer currently deployed on Ethereum Holesky testnet. The runtime instruments graphs, computes per-operator bounds, and runs unmodified vendor kernels in FP32 with negligible overhead (0.3% on Qwen3-8B). Across CNNs, Transformers and diffusion models on A100, H100, RTX6000, RTX4090, empirical thresholds are $10^2-10^3$ times tighter than theoretical bounds, and bound-aware adversarial attacks achieve 0% success. NAO reconciles scalability with verifiability for real-world heterogeneous ML compute.
Authors: Andy Shi
Abstract: Machine learning-based precipitation nowcasting relies on high-fidelity radar reflectivity sequences to model the short-term evolution of convective storms. However, the development of models capable of predicting extreme weather has been constrained by the coarse resolution (1-2 km) of existing public radar datasets, such as SEVIR, HKO-7, and GridRad-Severe, which smooth the fine-scale structures essential for accurate forecasting. To address this gap, we introduce Storm250-L2, a storm-centric radar dataset derived from NEXRAD Level-II and GridRad-Severe data. We algorithmically crop a fixed, high-resolution (250 m) window around GridRad-Severe storm tracks, preserve the native polar geometry, and provide temporally consistent sequences of both per-tilt sweeps and a pseudo-composite reflectivity product. The dataset comprises thousands of storm events across the continental United States, packaged in HDF5 tensors with rich context metadata and reproducible manifests.
Authors: Bo Li, Junwei Ma, Kai Yin, Yiming Xiao, Chia-Wei Hsu, Ali Mostafavi
Abstract: The escalating frequency and severity of disasters routinely overwhelm traditional response capabilities, exposing critical vulnerability in disaster management. Current practices are hindered by fragmented data streams, siloed technologies, resource constraints, and the erosion of institutional memory, which collectively impede timely and effective decision making. This study introduces Disaster Copilot, a vision for a multi-agent artificial intelligence system designed to overcome these systemic challenges by unifying specialized AI tools within a collaborative framework. The proposed architecture utilizes a central orchestrator to coordinate diverse sub-agents, each specializing in critical domains such as predictive risk analytics, situational awareness, and impact assessment. By integrating multi-modal data, the system delivers a holistic, real-time operational picture and serve as the essential AI backbone required to advance Disaster Digital Twins from passive models to active, intelligent environments. Furthermore, it ensures functionality in resource-limited environments through on-device orchestration and incorporates mechanisms to capture institutional knowledge, mitigating the impact of staff turnover. We detail the system architecture and propose a three-phased roadmap emphasizing the parallel growth of technology, organizational capacity, and human-AI teaming. Disaster Copilot offers a transformative vision, fostering collective human-machine intelligence to build more adaptive, data-driven and resilient communities.
Authors: Peini Cheng, Amir Bahmani
Abstract: This study investigates the privacy risks associated with diffusion-based synthetic tabular data generation methods, focusing on their susceptibility to Membership Inference Attacks (MIAs). We examine two recent models, TabDDPM and TabSyn, by developing query-based MIAs based on the step-wise error comparison method. Our findings reveal that TabDDPM is more vulnerable to these attacks. TabSyn exhibits resilience against our attack models. Our work underscores the importance of evaluating the privacy implications of diffusion models and encourages further research into robust privacy-preserving mechanisms for synthetic data generation.
Authors: Zeng Zhang, Wenjie Yin, Xiaoqi Li
Abstract: Identification of anomalous events within system logs constitutes a pivotal element within the frame- work of cybersecurity defense strategies. However, this process faces numerous challenges, including the management of substantial data volumes, the distribution of anomalies, and the precision of con- ventional methods. To address this issue, the present paper puts forward a proposal for an intelligent detection method for system logs based on Genera- tive Pre-trained Transformers (GPT). The efficacy of this approach is attributable to a combination of structured input design and a Focal Loss op- timization strategy, which collectively result in a substantial enhancement of the performance of log anomaly detection. The initial approach involves the conversion of raw logs into event ID sequences through the use of the Drain parser. Subsequently, the Focal Loss loss function is employed to address the issue of class imbalance. The experimental re- sults demonstrate that the optimized GPT-2 model significantly outperforms the unoptimized model in a range of key metrics, including precision, recall, and F1 score. In specific tasks, comparable or superior performance has been demonstrated to that of the GPT-3.5 API.
Authors: David Atkinson
Abstract: Any argument that open-source generative artificial intelligence (GenAI) is inherently ethical or legal solely because it is open source is flawed. Yet, this is the explicit or implicit stance of several open-source GenAI entities. This paper critically examines prevalent justifications for "open-source exceptionalism," demonstrating how contemporary open-source GenAI often inadvertently facilitates unlawful conduct and environmental degradation without genuinely disrupting established oligopolies. Furthermore, the paper exposes the unsubstantiated and strategic deployment of "democratization" and "innovation" rhetoric to advocate for regulatory exemptions not afforded to proprietary systems. The conclusion is that open-source developers must be held to the same legal and ethical standards as all other actors in the technological ecosystem. However, the paper proposes a narrowly tailored safe harbor designed to protect legitimate, non-commercial scientific research, contingent upon adherence to specific criteria. Ultimately, this paper advocates for a framework of responsible AI development, wherein openness is pursued within established ethical and legal boundaries, with due consideration for its broader societal implications.
Authors: David Atkinson
Abstract: This paper argues that website owners have the right to exclude others from their websites. Accordingly, when generative AI (GenAI) scraping bots intentionally circumvent reasonable technological barriers, their conduct could be actionable as trespass to chattels. If the scraping leads to a decrease in the website's value, then trespass to chattels should apply. The prevailing judicial focus on website content and the dismissal of trespass claims absent proof of server impairment or user disruption misconstrues the nature of the website itself as a form of digital property, focusing too narrowly on what constitutes harm under a claim of trespass. By shifting analysis from content to the website itself as an integrated digital asset and illustrating the harm to the value of the chattel, this paper demonstrates that the right to exclude applies online with the same force as it does to tangible property. Courts and litigants have struggled to police large-scale scraping because copyright preemption narrows available claims, leaving copyright and its fair use defense as the primary battleground. In contrast, recognizing websites as personal property revives trespass to chattels as a meaningful cause of action, providing website owners with an enforceable exclusionary right. Such protection would disincentivize exploitative scraping, preserve incentives for content creation, aid in protecting privacy and personal data, and safeguard values of autonomy and expression. Ultimately, this paper contends that reaffirming website owners' right to exclude is essential to maintaining a fair and sustainable online environment.
Authors: Muhammad Aurangzeb Ahmad
Abstract: Artificial intelligence surrogates are systems designed to infer preferences when individuals lose decision-making capacity. Fairness in such systems is a domain that has been insufficiently explored. Traditional algorithmic fairness frameworks are insufficient for contexts where decisions are relational, existential, and culturally diverse. This paper explores an ethical framework for algorithmic fairness in AI surrogates by mapping major fairness notions onto potential real-world end-of-life scenarios. It then examines fairness across moral traditions. The authors argue that fairness in this domain extends beyond parity of outcomes to encompass moral representation, fidelity to the patient's values, relationships, and worldview.
Authors: Chun Chet Ng, Wei Zeng Low, Yin Yin Boon
Abstract: Despite accounting for 96.1% of all businesses in Malaysia, access to financing remains one of the most persistent challenges faced by Micro, Small, and Medium Enterprises (MSMEs). Newly established or young businesses are often excluded from formal credit markets as traditional underwriting approaches rely heavily on credit bureau data. This study investigates the potential of bank statement data as an alternative data source for credit assessment to promote financial inclusion in emerging markets. Firstly, we propose a cash flow-based underwriting pipeline where we utilise bank statement data for end to end data extraction and machine learning credit scoring. Secondly, we introduce a novel dataset of 611 loan applicants from a Malaysian lending institution. Thirdly, we develop and evaluate credit scoring models based on application information and bank transaction-derived features. Empirical results show that the use of such data boosts the performance of all models on our dataset, which can improve credit scoring for new-to-lending MSMEs. Lastly, we intend to release the anonymised bank transaction dataset to facilitate further research on MSMEs financial inclusion within Malaysia's emerging economy.
Authors: Farjana Yesmin
Abstract: Machine learning models trained on imbalanced datasets often exhibit intersectional biases-systematic errors arising from the interaction of multiple attributes such as object class and environmental conditions. This paper presents a data-driven framework for analyzing and mitigating such biases in image classification. We introduce the Intersectional Fairness Evaluation Framework (IFEF), which combines quantitative fairness metrics with interpretability tools to systematically identify bias patterns in model predictions. Building on this analysis, we propose Bias-Weighted Augmentation (BWA), a novel data augmentation strategy that adapts transformation intensities based on subgroup distribution statistics. Experiments on the Open Images V7 dataset with five object classes demonstrate that BWA improves accuracy for underrepresented class-environment intersections by up to 24 percentage points while reducing fairness metric disparities by 35%. Statistical analysis across multiple independent runs confirms the significance of improvements (p < 0.05). Our methodology provides a replicable approach for analyzing and addressing intersectional biases in image classification systems.
Authors: Elias Hossain, Mehrdad Shoeibi, Ivan Garibay, Niloofar Yousefi
Abstract: We propose CITE V.1, an agentic, evidence-grounded framework that leverages Large Language Models (LLMs) to provide transparent and reproducible interpretations of RNA-seq clusters. Unlike existing enrichment-based approaches that reduce results to broad statistical associations and LLM-only models that risk unsupported claims or fabricated citations, CITE V.1 transforms cluster interpretation by producing biologically coherent explanations explicitly anchored in the biomedical literature. The framework orchestrates three specialized agents: a Retriever that gathers domain knowledge from PubMed and UniProt, an Interpreter that formulates functional hypotheses, and Critics that evaluate claims, enforce evidence grounding, and qualify uncertainty through confidence and reliability indicators. Applied to Salmonella enterica RNA-seq data, CITE V.1 generated biologically meaningful insights supported by the literature, while an LLM-only Gemini baseline frequently produced speculative results with false citations. By moving RNA-seq analysis from surface-level enrichment to auditable, interpretable, and evidence-based hypothesis generation, CITE V.1 advances the transparency and reliability of AI in biomedicine.
Authors: Zia Badar
Abstract: Quantization of neural networks provides benefits of inference in less compute and memory requirements. Previous work in quantization lack two important aspects which this work provides. First almost all previous work in quantization used a non-differentiable approach and for learning; the derivative is usually set manually in backpropogation which make the learning ability of algorithm questionable, our approach is not just differentiable, we also provide proof of convergence of our approach to the optimal neural network. Second previous work in shift/logrithmic quantization either have avoided activation quantization along with weight quantization or achieved less accuracy. Learning logrithmic quantize values of form $2^n$ requires the quantization function can scale to more than 1 bit quantization which is another benifit of our quantization that it provides $n$ bits quantization as well. Our approach when tested with image classification task using imagenet dataset, resnet18 and weight quantization only achieves less than 1 percent accuracy compared to full precision accuracy while taking only 15 epochs to train using shift bit quantization and achieves comparable to SOTA approaches accuracy in both weight and activation quantization using shift bit quantization in 15 training epochs with slightly higher(only higher cpu instructions) inference cost compared to 1 bit quantization(without logrithmic quantization) and not requiring any higher precision multiplication.
Authors: Md. Imtyaz Ahmed, Md. Delwar Hossain, Md Mostafizer Rahman, Md. Ahsan Habib, Md. Mamunur Rashid, Md. Selim Reza, Md Ashad Alam
Abstract: Cancer exhibits diverse and complex phenotypes driven by multifaceted molecular interactions. Recent biomedical research has emphasized the comprehensive study of such diseases by integrating multi-omics datasets (genome, proteome, transcriptome, epigenome). This approach provides an efficient method for identifying genetic variants associated with cancer and offers a deeper understanding of how the disease develops and spreads. However, it is challenging to comprehend complex interactions among the features of multi-omics datasets compared to single omics. In this paper, we analyze lung cancer multi-omics datasets from The Cancer Genome Atlas (TCGA). Using four statistical methods, LIMMA, the T test, Canonical Correlation Analysis (CCA), and the Wilcoxon test, we identified differentially expressed genes across gene expression, DNA methylation, and miRNA expression data. We then integrated these multi-omics data using the Kernel Machine Regression (KMR) approach. Our findings reveal significant interactions among the three omics: gene expression, miRNA expression, and DNA methylation in lung cancer. From our data analysis, we identified 38 genes significantly associated with lung cancer. From our data analysis, we identified 38 genes significantly associated with lung cancer. Among these, eight genes of highest ranking (PDGFRB, PDGFRA, SNAI1, ID1, FGF11, TNXB, ITGB1, ZIC1) were highlighted by rigorous statistical analysis. Furthermore, in silico studies identified three top-ranked potential candidate drugs (Selinexor, Orapred, and Capmatinib) that could play a crucial role in the treatment of lung cancer. These proposed drugs are also supported by the findings of other independent studies, which underscore their potential efficacy in the fight against lung cancer.
Authors: Tina Behnia, Puneesh Deora, Christos Thrampoulidis
Abstract: Language models are pretrained on sequences that blend statistical regularities (making text fluent) with factual associations between specific tokens (knowledge of facts). While recent work suggests that the variability of their interaction, such as paraphrases of factual associations, critically determines generalization ability, we lack a systematic analysis of these impacts. This paper introduces a flexible synthetic testbed that combines a statistical stream of generic tokens with an abstract factual stream of source-target token pairs, enabling fine-grained control over their interaction. The design enables the independent control of diversity nature by manipulating stream composition (contextual structure) and the diversity level by varying which statistical streams each fact appears in. Through controlled experiments, we find that while higher contextual diversity delays in-distribution (ID) factual accuracy, its impact on out-of-distribution (OOD) factual generalization depends critically on contextual structure. In some cases, OOD performance follows the same trend as ID, but in others, diversity becomes essential for non-trivial factual recall. Even when low diversity prohibits factual recall, optimal diversity levels depend on training duration. Beyond factual recall failures, we identify structures where statistical generalization fails independently, and others where both capabilities degrade. This shows how the interplay between contextual design and diversity level impacts different generalization aspects. Further, through a series of controlled interventions on the model components, we trace the OOD failures to distinct optimization bottlenecks, highlighting the importance of the embedding and unembedding layers. Our synthetic framework allows us to isolate effects that would be confounded in large-scale studies, offering a controlled testbed for future investigations.
Authors: Owais Makroo, Siva Rajesh Kasa, Sumegh Roychowdhury, Karan Gupta, Nikhil Pattisapu, Santhosh Kasa, Sumit Negi
Abstract: Membership Inference Attacks (MIAs) pose a critical privacy threat by enabling adversaries to determine whether a specific sample was included in a model's training dataset. Despite extensive research on MIAs, systematic comparisons between generative and discriminative classifiers remain limited. This work addresses this gap by first providing theoretical motivation for why generative classifiers exhibit heightened susceptibility to MIAs, then validating these insights through comprehensive empirical evaluation. Our study encompasses discriminative, generative, and pseudo-generative text classifiers across varying training data volumes, evaluated on nine benchmark datasets. Employing a diverse array of MIA strategies, we consistently demonstrate that fully generative classifiers which explicitly model the joint likelihood $P(X,Y)$ are most vulnerable to membership leakage. Furthermore, we observe that the canonical inference approach commonly used in generative classifiers significantly amplifies this privacy risk. These findings reveal a fundamental utility-privacy trade-off inherent in classifier design, underscoring the critical need for caution when deploying generative classifiers in privacy-sensitive applications. Our results motivate future research directions in developing privacy-preserving generative classifiers that can maintain utility while mitigating membership inference vulnerabilities.
Authors: Oliver J. Hines, Caleb H. Miles
Abstract: The ratio of two probability density functions is a fundamental quantity that appears in many areas of statistics and machine learning, including causal inference, reinforcement learning, covariate shift, outlier detection, independence testing, importance sampling, and diffusion modeling. Naively estimating the numerator and denominator densities separately using, e.g., kernel density estimators, can lead to unstable performance and suffers from the curse of dimensionality as the number of covariates increases. For this reason, several methods have been developed for estimating the density ratio directly based on (a) Bregman divergences or (b) recasting the density ratio as the odds in a probabilistic classification model that predicts whether an observation is sampled from the numerator or denominator distribution. Additionally, the density ratio can be viewed as the Riesz representer of a continuous linear map, making it amenable to estimation via (c) minimization of the so-called Riesz loss, which was developed to learn the Riesz representer in the Riesz regression procedure in causal inference. In this paper we show that all three of these methods can be unified in a common framework, which we call Bregman-Riesz regression. We further show how data augmentation techniques can be used to apply density ratio learning methods to causal problems, where the numerator distribution typically represents an unobserved intervention. We show through simulations how the choice of Bregman divergence and data augmentation strategy can affect the performance of the resulting density ratio learner. A Python package is provided for researchers to apply Bregman-Riesz regression in practice using gradient boosting, neural networks, and kernel methods.
Authors: Chen Kong, James Fort, Aria Kang, Jonathan Wittmer, Simon Green, Tianwei Shen, Yipu Zhao, Cheng Peng, Gustavo Solaira, Andrew Berkovich, Nikhil Raina, Vijay Baiyya, Evgeniy Oleinik, Eric Huang, Fan Zhang, Julian Straub, Mark Schwesinger, Luis Pesqueira, Xiaqing Pan, Jakob Julian Engel, Carl Ren, Mingfei Yan, Richard Newcombe
Abstract: The Aria Gen 2 Pilot Dataset (A2PD) is an egocentric multimodal open dataset captured using the state-of-the-art Aria Gen 2 glasses. To facilitate timely access, A2PD is released incrementally with ongoing dataset enhancements. The initial release features Dia'ane, our primary subject, who records her daily activities alongside friends, each equipped with Aria Gen 2 glasses. It encompasses five primary scenarios: cleaning, cooking, eating, playing, and outdoor walking. In each of the scenarios, we provide comprehensive raw sensor data and output data from various machine perception algorithms. These data illustrate the device's ability to perceive the wearer, the surrounding environment, and interactions between the wearer and the environment, while maintaining robust performance across diverse users and conditions. The A2PD is publicly available at projectaria.com, with open-source tools and usage examples provided in Project Aria Tools.
Authors: Corey M. Abramson (Victoria), Yuhan (Victoria), Nian
Abstract: The CMAP (cultural mapping and pattern analysis) visualization toolkit introduced in this paper is an open-source suite for analyzing and visualizing text data - from qualitative fieldnotes and in-depth interview transcripts to historical documents and web-scaped data like message board posts or blogs. The toolkit is designed for scholars integrating pattern analysis, data visualization, and explanation in qualitative and/or computational social science (CSS). Despite the existence of off-the-shelf commercial qualitative data analysis software, there is a dearth of highly scalable open source options that can work with large data sets, and allow advanced statistical and language modeling. The foundation of the toolkit is a pragmatic approach that aligns research tools with social science project goals- empirical explanation, theory-guided measurement, comparative design, or evidence-based recommendations- guided by the principle that research paradigm and questions should determine methods. Consequently, the CMAP visualization toolkit offers a range of possibilities through the adjustment of relatively small number of parameters, and allows integration with other python tools.
Authors: Mason Smetana, Lev Khazanovich
Abstract: Scientific literature is increasingly siloed by complex language, static disciplinary structures, and potentially sparse keyword systems, making it cumbersome to capture the dynamic nature of modern science. This study addresses these challenges by introducing an adaptable large language model (LLM)-driven framework to quantify thematic trends and map the evolving landscape of scientific knowledge. The approach is demonstrated over a 20-year collection of more than 1,500 engineering articles published by the Proceedings of the National Academy of Sciences (PNAS), marked for their breadth and depth of research focus. A two-stage classification pipeline first establishes a primary thematic category for each article based on its abstract. The subsequent phase performs a full-text analysis to assign secondary classifications, revealing latent, cross-topic connections across the corpus. Traditional natural language processing (NLP) methods, such as Bag-of-Words (BoW) and Term Frequency-Inverse Document Frequency (TF-IDF), confirm the resulting topical structure and also suggest that standalone word-frequency analyses may be insufficient for mapping fields with high diversity. Finally, a disjoint graph representation between the primary and secondary classifications reveals implicit connections between themes that may be less apparent when analyzing abstracts or keywords alone. The findings show that the approach independently recovers much of the journal's editorially embedded structure without prior knowledge of its existing dual-classification schema (e.g., biological studies also classified as engineering). This framework offers a powerful tool for detecting potential thematic trends and providing a high-level overview of scientific progress.
Authors: Daniel Csillag, Pedro Dall'Antonia, Claudio Jos\'e Struchiner, Guilherme Tegoni Goedert
Abstract: Prediction-powered inference is a recent methodology for the safe use of black-box ML models to impute missing data, strengthening inference of statistical parameters. However, many applications require strong properties besides valid inference, such as privacy, robustness or validity under continuous distribution shifts; deriving prediction-powered methods with such guarantees is generally an arduous process, and has to be done case by case. In this paper, we resolve this issue by connecting prediction-powered inference with conformal prediction: by performing imputation through a calibrated conformal set-predictor, we attain validity while achieving additional guarantees in a natural manner. We instantiate our procedure for the inference of means, Z- and M-estimation, as well as e-values and e-value-based procedures. Furthermore, in the case of e-values, ours is the first general prediction-powered procedure that operates off-line. We demonstrate these advantages by applying our method on private and time-series data. Both tasks are nontrivial within the standard prediction-powered framework but become natural under our method.
Authors: Chenyu Zhang, Navid Azizan
Abstract: Multi-agent learning faces a fundamental tension: leveraging distributed collaboration without sacrificing the personalization needed for diverse agents. This tension intensifies when aiming for full personalization while adapting to unknown heterogeneity levels -- gaining collaborative speedup when agents are similar, without performance degradation when they are different. Embracing the challenge, we propose personalized collaborative learning (PCL), a novel framework for heterogeneous agents to collaboratively learn personalized solutions with seamless adaptivity. Through carefully designed bias correction and importance correction mechanisms, our method AffPCL robustly handles both environment and objective heterogeneity. We prove that AffPCL reduces sample complexity over independent learning by a factor of $\max\{n^{-1}, \delta\}$, where $n$ is the number of agents and $\delta\in[0,1]$ measures their heterogeneity. This affinity-based acceleration automatically interpolates between the linear speedup of federated learning in homogeneous settings and the baseline of independent learning, without requiring prior knowledge of the system. Our analysis further reveals that an agent may obtain linear speedup even by collaborating with arbitrarily dissimilar agents, unveiling new insights into personalization and collaboration in the high heterogeneity regime.
Authors: Hanane Nour Moussa, Patrick Queiroz Da Silva, Daniel Adu-Ampratwum, Alyson East, Zitong Lu, Nikki Puccetti, Mingyi Xue, Huan Sun, Bodhisattwa Prasad Majumder, Sachin Kumar
Abstract: As AI tools become increasingly common for research ideation, robust evaluation is critical to ensure the validity and usefulness of generated ideas. We introduce ScholarEval, a retrieval augmented evaluation framework that assesses research ideas based on two fundamental criteria: soundness - the empirical validity of proposed methods based on existing literature, and contribution - the degree of advancement made by the idea across different dimensions relative to prior research. To evaluate ScholarEval, we introduce ScholarIdeas, the first expert-annotated dataset of multi-domain research ideas and reviews, comprised of 117 ideas across four disciplines: artificial intelligence, neuroscience, biochemistry, and ecology. Our evaluation shows that ScholarEval achieves significantly higher coverage of points mentioned in the human expert annotated rubrics in ScholarIdeas compared to all baselines. Furthermore, ScholarEval is consistently preferred over our strongest baseline o4-mini-deep-research, a reasoning and search-enabled agentic system by OpenAI, in terms of evaluation actionability, depth, and evidence support. Our large-scale user study also shows that ScholarEval significantly outperforms deep research in literature engagement, idea refinement, and usefulness. We openly release our code, dataset, and ScholarEval tool for the community to use and build on.
Authors: Song Bian, Minghao Yan, Anand Jayarajan, Gennady Pekhimenko, Shivaram Venkataraman
Abstract: Large Language Models (LLMs), such as OpenAI-o1 and DeepSeek-R1, have demonstrated strong reasoning capabilities. To further enhance LLM capabilities, recent agentic systems, such as Deep Research, incorporate web interactions into LLM reasoning to mitigate uncertainties and reduce potential errors. However, existing research predominantly focuses on reasoning performance, often neglecting the efficiency of agentic systems. In this work, we present a comprehensive empirical study that identifies efficiency bottlenecks in web-interactive agentic systems. We decompose end-to-end latency into two primary components: LLM API latency and web environment latency. We conduct a comprehensive empirical study across 15 models and 5 providers to demonstrate high variability in API-based agentic systems. We observe that web environment latency can contribute as much as 53.7% to the overall latency in a web-based agentic system. To improve latency, we propose SpecCache, a caching framework augmented with speculative execution that can reduce web environment overhead. Extensive evaluations on two standard benchmarks show that our approach improves the cache hit rate by up to 58x compared to a random caching strategy, while reducing web environment overhead by up to 3.2x, without degrading agentic system performance.
Authors: Yilin Wu, Anqi Li, Tucker Hermans, Fabio Ramos, Andrea Bajcsy, Claudia P'erez-D'Arpino
Abstract: Reasoning Vision Language Action (VLA) models improve robotic instruction-following by generating step-by-step textual plans before low-level actions, an approach inspired by Chain-of-Thought (CoT) reasoning in language models. Yet even with a correct textual plan, the generated actions can still miss the intended outcomes in the plan, especially in out-of-distribution (OOD) scenarios. We formalize this phenomenon as a lack of embodied CoT faithfulness, and introduce a training-free, runtime policy steering method for reasoning-action alignment. Given a reasoning VLA's intermediate textual plan, our framework samples multiple candidate action sequences from the same model, predicts their outcomes via simulation, and uses a pre-trained Vision-Language Model (VLM) to select the sequence whose outcome best aligns with the VLA's own textual plan. Only executing action sequences that align with the textual reasoning turns our base VLA's natural action diversity from a source of error into a strength, boosting robustness to semantic and visual OOD perturbations and enabling novel behavior composition without costly re-training. We also contribute a reasoning-annotated extension of LIBERO-100, environment variations tailored for OOD evaluation, and demonstrate up to 15% performance gain over prior work on behavior composition tasks and scales with compute and data diversity. Project Website at: https://yilin-wu98.github.io/steering-reasoning-vla/
Authors: Saejin Oh, Xinyi Fang, I-Hsin Lin, Paris Dee, Christopher S. Dunham, Stacy M. Copp, Abigail G. Doyle, Javier Read de Alaniz, Mengyang Gu
Abstract: The development of automated experimental facilities and the digitization of experimental data have introduced numerous opportunities to radically advance chemical laboratories. As many laboratory tasks involve predicting and understanding previously unknown chemical relationships, machine learning (ML) approaches trained on experimental data can substantially accelerate the conventional design-build-test-learn process. This outlook article aims to help chemists understand and begin to adopt ML predictive models for a variety of laboratory tasks, including experimental design, synthesis optimization, and materials characterization. Furthermore, this article introduces how artificial intelligence (AI) agents based on large language models can help researchers acquire background knowledge in chemical or data science and accelerate various aspects of the discovery process. We present three case studies in distinct areas to illustrate how ML models and AI agents can be leveraged to reduce time-consuming experiments and manual data analysis. Finally, we highlight existing challenges that require continued synergistic effort from both experimental and computational communities to address.
Authors: Olajumoke O. Adekunle, Joseph D. Akinyemi, Khadijat T. Ladoja, Olufade F. W. Onifade
Abstract: Lung cancer, a malignancy originating in lung tissues, is commonly diagnosed and classified using medical imaging techniques, particularly computed tomography (CT). Despite the integration of machine learning and deep learning methods, the predictive efficacy of automated systems for lung cancer classification from CT images remains below the desired threshold for clinical adoption. Existing research predominantly focuses on binary classification, distinguishing between malignant and benign lung nodules. In this study, a novel deep learning-based approach is introduced, aimed at an improved multi-class classification, discerning various subtypes of lung cancer from CT images. Leveraging a pre-trained ResNet model, lung tissue images were classified into three distinct classes, two of which denote malignancy and one benign. Employing a dataset comprising 15,000 lung CT images sourced from the LC25000 histopathological images, the ResNet50 model was trained on 10,200 images, validated on 2,550 images, and tested on the remaining 2,250 images. Through the incorporation of custom layers atop the ResNet architecture and meticulous hyperparameter fine-tuning, a remarkable test accuracy of 98.8% was recorded. This represents a notable enhancement over the performance of prior models on the same dataset.
Authors: Junno Yun, Ya\c{s}ar Utku Al\c{c}alar, Mehmet Ak\c{c}akaya
Abstract: Algorithm unrolling methods have proven powerful for solving the regularized least squares problem in computational magnetic resonance imaging (MRI). These approaches unfold an iterative algorithm with a fixed number of iterations, typically alternating between a neural network-based proximal operator for regularization, a data fidelity operation and auxiliary updates with learnable parameters. While the connection to optimization methods dictate that the proximal operator network should be shared across unrolls, this can introduce artifacts or blurring. Heuristically, practitioners have shown that using distinct networks may be beneficial, but this significantly increases the number of learnable parameters, making it challenging to prevent overfitting. To address these shortcomings, by taking inspirations from proximal operators with varying thresholds in approximate message passing (AMP) and the success of time-embedding in diffusion models, we propose a time-embedded algorithm unrolling scheme for inverse problems. Specifically, we introduce a novel perspective on the iteration-dependent proximal operation in vector AMP (VAMP) and the subsequent Onsager correction in the context of algorithm unrolling, framing them as a time-embedded neural network. Similarly, the scalar weights in the data fidelity operation and its associated Onsager correction are cast as time-dependent learnable parameters. Our extensive experiments on the fastMRI dataset, spanning various acceleration rates and datasets, demonstrate that our method effectively reduces aliasing artifacts and mitigates noise amplification, achieving state-of-the-art performance. Furthermore, we show that our time-embedding strategy extends to existing algorithm unrolling approaches, enhancing reconstruction quality without increasing the computational complexity significantly.
Authors: Yi Wei (College of Information Science,Electronic Engineering, Zhejiang University, Hangzhou, China), Shunpu Tang (College of Information Science,Electronic Engineering, Zhejiang University, Hangzhou, China), Liang Zhao (College of Information Science,Electronic Engineering, Zhejiang University, Hangzhou, China), Qiangian Yang (College of Information Science,Electronic Engineering, Zhejiang University, Hangzhou, China)
Abstract: Recent advances in diffusion models have driven remarkable progress in image generation. However, the generation process remains computationally intensive, and users often need to iteratively refine prompts to achieve the desired results, further increasing latency and placing a heavy burden on cloud resources. To address this challenge, we propose DiffusionX, a cloud-edge collaborative framework for efficient multi-round, prompt-based generation. In this system, a lightweight on-device diffusion model interacts with users by rapidly producing preview images, while a high-capacity cloud model performs final refinements after the prompt is finalized. We further introduce a noise level predictor that dynamically balances the computation load, optimizing the trade-off between latency and cloud workload. Experiments show that DiffusionX reduces average generation time by 15.8% compared with Stable Diffusion v1.5, while maintaining comparable image quality. Moreover, it is only 0.9% slower than Tiny-SD with significantly improved image quality, thereby demonstrating efficiency and scalability with minimal overhead.
Authors: Junha Song, Sangdoo Yun, Dongyoon Han, Jaegul Choo, Byeongho Heo
Abstract: A dominant assumption in Multimodal Language Model (MLLM) research is that its performance is largely inherited from the LLM backbone, given its immense parameter scale and remarkable capabilities. This has created a void in the understanding of the vision encoder, which determines how MLLMs perceive images. The recent shift in MLLM training paradigms, from Supervised Finetuning (SFT) to Reinforcement Learning (RL), magnifies this oversight-namely, the significant lack of analysis on how such training reshapes the vision encoder as well as the MLLM. To address this, we first investigate the impact of training strategies on MLLMs, where RL shows a clear advantage over SFT in strongly vision-related VQA benchmarks. Motivated by this, we conduct a critical yet under-explored analysis of the vision encoder of MLLMs through diverse and in-depth experiments, ranging from ImageNet classification and segmentation to gradient visualization. Our results demonstrate that MLLM's post-training strategy (i.e., SFT or RL) not only leads to distinct outcomes on MLLM downstream tasks, but also fundamentally reshapes MLLM's underlying visual representations. Specifically, the key finding of our study is that RL produces stronger and precisely localized visual representations compared to SFT, boosting the ability of the vision encoder for MLLM. We then reframe our findings into a simple recipe for building strong vision encoders for MLLMs, Preference-Instructed Vision OpTimization (PIVOT). When integrated into MLLMs, a PIVOT-trained vision encoder outperforms even larger and more heavily-trained counterparts, despite requiring less than 1% of the computational cost of standard vision pretraining. This result opens an effective and efficient path for advancing the vision backbones of MLLMs. Project page available at https://june-page.github.io/pivot/
Authors: Jugal Gajjar, Kamalasankari Subramaniakuppusamy
Abstract: We introduce the MultiLang Code Parser Dataset (MLCPD), a large-scale, language-agnostic dataset unifying syntactic and structural representations of code across ten major programming languages. MLCPD contains over seven million parsed source files normalized under our proposed universal Abstract Syntax Tree (AST) schema, enabling consistent cross-language reasoning, structural learning, and multilingual software analysis. Unlike existing corpora that focus purely on token-level code or isolated parsers, MLCPD provides both hierarchical tree representations and rich metadata for every file, ensuring lossless syntactic coverage and structural uniformity. Each entry includes a normalized schema, language-level metadata, and abstracted node semantics stored in Parquet format for scalable retrieval. Empirical analyses reveal strong cross-language structural regularities-demonstrating that syntactic graphs from languages as diverse as Python, Java, and Go can be aligned under a shared schema. We release the dataset publicly on Hugging Face and the accompanying codebase on GitHub, which includes complete pipelines for dataset reproduction, grammar compilation, and a visualization tool for exploring the unified AST across languages. Together, these resources establish MLCPD as an open, reproducible foundation for future research in cross-language representation learning and program analysis.
Authors: Ali Shirali
Abstract: From media platforms to chatbots, algorithms shape how people interact, learn, and discover information. Such interactions between users and an algorithm often unfold over multiple steps, during which strategic users can guide the algorithm to better align with their true interests by selectively engaging with content. However, users frequently exhibit inconsistent preferences: they may spend considerable time on content that offers little long-term value, inadvertently signaling that such content is desirable. Focusing on the user side, this raises a key question: what does it take for such users to align the algorithm with their true interests? To investigate these dynamics, we model the user's decision process as split between a rational system 2 that decides whether to engage and an impulsive system 1 that determines how long engagement lasts. We then study a multi-leader, single-follower extensive Stackelberg game, where users, specifically system 2, lead by committing to engagement strategies and the algorithm best-responds based on observed interactions. We define the burden of alignment as the minimum horizon over which users must optimize to effectively steer the algorithm. We show that a critical horizon exists: users who are sufficiently foresighted can achieve alignment, while those who are not are instead aligned to the algorithm's objective. This critical horizon can be long, imposing a substantial burden. However, even a small, costly signal (e.g., an extra click) can significantly reduce it. Overall, our framework explains how users with inconsistent preferences can align an engagement-driven algorithm with their interests in a Stackelberg equilibrium, highlighting both the challenges and potential remedies for achieving alignment.
Authors: Mohammad Javad Ahmadi, Iman Gandomi, Parisa Abdi, Seyed-Farzad Mohammadi, Amirhossein Taslimi, Mehdi Khodaparast, Hassan Hashemi, Mahdi Tavakoli, Hamid D. Taghirad
Abstract: The development of computer-assisted surgery systems depends on large-scale, annotated datasets. Current resources for cataract surgery often lack the diversity and annotation depth needed to train generalizable deep-learning models. To address this gap, we present a dataset of 3,000 phacoemulsification cataract surgery videos from two surgical centers, performed by surgeons with a range of experience levels. This resource is enriched with four annotation layers: temporal surgical phases, instance segmentation of instruments and anatomical structures, instrument-tissue interaction tracking, and quantitative skill scores based on the established competency rubrics like the ICO-OSCAR. The technical quality of the dataset is supported by a series of benchmarking experiments for key surgical AI tasks, including workflow recognition, scene segmentation, and automated skill assessment. Furthermore, we establish a domain adaptation baseline for the phase recognition task by training a model on a subset of surgical centers and evaluating its performance on a held-out center. The dataset and annotations are available in Google Form (https://docs.google.com/forms/d/e/1FAIpQLSfmyMAPSTGrIy2sTnz0-TMw08ZagTimRulbAQcWdaPwDy187A/viewform?usp=dialog).
Authors: Rishi Raj Sahoo, Surbhi Saswati Mohanty, Subhankar Mishra
Abstract: Road potholes pose significant safety hazards and maintenance challenges, particularly on India's diverse and under-maintained road networks. This paper presents iWatchRoadv2, a fully automated end-to-end platform for real-time pothole detection, GPS-based geotagging, and dynamic road health visualization using OpenStreetMap (OSM). We curated a self-annotated dataset of over 7,000 dashcam frames capturing diverse Indian road conditions, weather patterns, and lighting scenarios, which we used to fine-tune the Ultralytics YOLO model for accurate pothole detection. The system synchronizes OCR-extracted video timestamps with external GPS logs to precisely geolocate each detected pothole, enriching detections with comprehensive metadata, including road segment attribution and contractor information managed through an optimized backend database. iWatchRoadv2 introduces intelligent governance features that enable authorities to link road segments with contract metadata through a secure login interface. The system automatically sends alerts to contractors and officials when road health deteriorates, supporting automated accountability and warranty enforcement. The intuitive web interface delivers actionable analytics to stakeholders and the public, facilitating evidence-driven repair planning, budget allocation, and quality assessment. Our cost-effective and scalable solution streamlines frame processing and storage while supporting seamless public engagement for urban and rural deployments. By automating the complete pothole monitoring lifecycle, from detection to repair verification, iWatchRoadv2 enables data-driven smart city management, transparent governance, and sustainable improvements in road infrastructure maintenance. The platform and live demonstration are accessible at https://smlab.niser.ac.in/project/iwatchroad.
Authors: Yu Ying Chiu, Michael S. Lee, Rachel Calcott, Brandon Handoko, Paul de Font-Reaulx, Paula Rodriguez, Chen Bo Calvin Zhang, Ziwen Han, Udari Madhushani Sehwag, Yash Maurya, Christina Q Knight, Harry R. Lloyd, Florence Bacus, Mantas Mazeika, Bing Liu, Yejin Choi, Mitchell L Gordon, Sydney Levine
Abstract: As AI systems progress, we rely more on them to make decisions with us and for us. To ensure that such decisions are aligned with human values, it is imperative for us to understand not only what decisions they make but also how they come to those decisions. Reasoning language models, which provide both final responses and (partially transparent) intermediate thinking traces, present a timely opportunity to study AI procedural reasoning. Unlike math and code problems which often have objectively correct answers, moral dilemmas are an excellent testbed for process-focused evaluation because they allow for multiple defensible conclusions. To do so, we present MoReBench: 1,000 moral scenarios, each paired with a set of rubric criteria that experts consider essential to include (or avoid) when reasoning about the scenarios. MoReBench contains over 23 thousand criteria including identifying moral considerations, weighing trade-offs, and giving actionable recommendations to cover cases on AI advising humans moral decisions as well as making moral decisions autonomously. Separately, we curate MoReBench-Theory: 150 examples to test whether AI can reason under five major frameworks in normative ethics. Our results show that scaling laws and existing benchmarks on math, code, and scientific reasoning tasks fail to predict models' abilities to perform moral reasoning. Models also show partiality towards specific moral frameworks (e.g., Benthamite Act Utilitarianism and Kantian Deontology), which might be side effects of popular training paradigms. Together, these benchmarks advance process-focused reasoning evaluation towards safer and more transparent AI.
Authors: Ze Tao, Jian Zhang, Haowei Li, Xianshuai Li, Yifei Peng, Xiyao Liu, Senzhang Wang, Chao Liu, Sheng Ren, Shichao Zhang
Abstract: This paper proposes the Humanoid-inspired Structural Causal Model (HSCM), a novel causal framework inspired by human intelligence, designed to overcome the limitations of conventional domain generalization models. Unlike approaches that rely on statistics to capture data-label dependencies and learn distortion-invariant representations, HSCM replicates the hierarchical processing and multi-level learning of human vision systems, focusing on modeling fine-grained causal mechanisms. By disentangling and reweighting key image attributes such as color, texture, and shape, HSCM enhances generalization across diverse domains, ensuring robust performance and interpretability. Leveraging the flexibility and adaptability of human intelligence, our approach enables more effective transfer and learning in dynamic, complex environments. Through both theoretical and empirical evaluations, we demonstrate that HSCM outperforms existing domain generalization models, providing a more principled method for capturing causal relationships and improving model robustness. The code is available at https://github.com/lambett/HSCM.
Authors: Franco Maria Nardini, Raffaele Perego, Nicola Tonellotto, Salvatore Trani
Abstract: We investigate the exploitation of both lexical and neural relevance signals for ad-hoc passage retrieval. Our exploration involves a large-scale training dataset in which dense neural representations of MS-MARCO queries and passages are complemented and integrated with 253 hand-crafted lexical features extracted from the same corpus. Blending of the relevance signals from the two different groups of features is learned by a classical Learning-to-Rank (LTR) model based on a forest of decision trees. To evaluate our solution, we employ a pipelined architecture where a dense neural retriever serves as the first stage and performs a nearest-neighbor search over the neural representations of the documents. Our LTR model acts instead as the second stage that re-ranks the set of candidates retrieved by the first stage to enhance effectiveness. The results of reproducible experiments conducted with state-of-the-art dense retrievers on publicly available resources show that the proposed solution significantly enhances the end-to-end ranking performance while relatively minimally impacting efficiency. Specifically, we achieve a boost in nDCG@10 of up to 11% with an increase in average query latency of only 4.3%. This confirms the advantage of seamlessly combining two distinct families of signals that mutually contribute to retrieval effectiveness.
Authors: Yuang Chen, Fengqian Guo, Chang Wu, Shuyi Liu, Hancheng Lu, Chang Wen Chen
Abstract: In the Industrial Internet of Things (IIoT), the frequent transmission of large amounts of data over wireless networks should meet the stringent timeliness requirements. Particularly, the freshness of packet status updates has a significant impact on the system performance. In this paper, we propose an age-of-information (AoI)-aware multi-base station (BS) real-time monitoring framework to support extensive IIoT deployments. To meet the freshness requirements of IIoT, we formulate a joint task offloading and resource allocation optimization problem with the goal of minimizing long-term average AoI. Tackling the core challenges of combinatorial explosion in multi-BS decision spaces and the stochastic dynamics of IIoT systems is crucial, as these factors render traditional optimization methods intractable. Firstly, an innovative branching-based Dueling Double Deep Q-Network (Branching-D3QN) algorithm is proposed to effectively implement task offloading, which optimizes the convergence performance by reducing the action space complexity from exponential to linear levels. Then, an efficient optimization solution to resource allocation is proposed by proving the semi-definite property of the Hessian matrix of bandwidth and computation resources. Finally, we propose an iterative optimization algorithm for efficient joint task offloading and resource allocation to achieve optimal average AoI performance. Extensive simulations demonstrate that our proposed Branching-D3QN algorithm outperforms both state-of-the-art DRL methods and classical heuristics, achieving up to a 75% enhanced convergence speed and at least a 22% reduction in the long-term average AoI.
Authors: Jiayi Guo, Haoxuan Li, Ye Tian, Peng Wu
Abstract: While significant progress has been made in heterogeneous treatment effect (HTE) estimation, the evaluation of HTE estimators remains underdeveloped. In this article, we propose a robust evaluation framework based on relative error, which quantifies performance differences between two HTE estimators. We first derive the key theoretical conditions on the nuisance parameters that are necessary to achieve a robust estimator of relative error. Building on these conditions, we introduce novel loss functions and design a neural network architecture to estimate nuisance parameters and obtain robust estimation of relative error, thereby achieving reliable evaluation of HTE estimators. We provide the large sample properties of the proposed relative error estimator. Furthermore, beyond evaluation, we propose a new learning algorithm for HTE that leverages both the previously HTE estimators and the nuisance parameters learned through our neural network architecture. Extensive experiments demonstrate that our evaluation framework supports reliable comparisons across HTE estimators, and the proposed learning algorithm for HTE exhibits desirable performance.
Authors: Jaekyun Park, Hye Won Chung
Abstract: In the era of large-scale foundation models, fully fine-tuning pretrained networks for each downstream task is often prohibitively resource-intensive. Prompt tuning offers a lightweight alternative by introducing tunable prompts while keeping the backbone frozen. However, existing visual prompt tuning methods often fail to specialize the prompts or enrich the representation space--especially when applied to self-supervised backbones. We show that these limitations become especially pronounced in challenging tasks and data-scarce settings, where effective adaptation is most critical. In this work, we introduce VIPAMIN, a visual prompt initialization strategy that enhances adaptation of self-supervised models by (1) aligning prompts with semantically informative regions in the embedding space, and (2) injecting novel representational directions beyond the pretrained subspace. Despite its simplicity--requiring only a single forward pass and lightweight operations--VIPAMIN consistently improves performance across diverse tasks and dataset sizes, setting a new state of the art in visual prompt tuning. Our code is available at https://github.com/iamjaekyun/vipamin.
Authors: Pacome Simon Mbonimpa, Diane Tuyizere, Azizuddin Ahmed Biyabani, Ozan K. Tonguz
Abstract: This paper presents a novel framework for speech transcription and synthesis, leveraging edge-cloud parallelism to enhance processing speed and accessibility for Kinyarwanda and Swahili speakers. It addresses the scarcity of powerful language processing tools for these widely spoken languages in East African countries with limited technological infrastructure. The framework utilizes the Whisper and SpeechT5 pre-trained models to enable speech-to-text (STT) and text-to-speech (TTS) translation. The architecture uses a cascading mechanism that distributes the model inference workload between the edge device and the cloud, thereby reducing latency and resource usage, benefiting both ends. On the edge device, our approach achieves a memory usage compression of 9.5% for the SpeechT5 model and 14% for the Whisper model, with a maximum memory usage of 149 MB. Experimental results indicate that on a 1.7 GHz CPU edge device with a 1 MB/s network bandwidth, the system can process a 270-character text in less than a minute for both speech-to-text and text-to-speech transcription. Using real-world survey data from Kenya, it is shown that the cascaded edge-cloud architecture proposed could easily serve as an excellent platform for STT and TTS transcription with good accuracy and response time.
Authors: Michelle Yuan, Khushbu Pahwa, Shuaichen Chang, Mustafa Kaba, Jiarong Jiang, Xiaofei Ma, Yi Zhang, Monica Sunkara
Abstract: Designing effective agentic systems requires the seamless composition and integration of agents, tools, and models within dynamic and uncertain environments. Most existing methods rely on static, semantic retrieval approaches for tool or agent discovery. However, effective reuse and composition of existing components remain challenging due to incomplete capability descriptions and the limitations of retrieval methods. Component selection suffers because the decisions are not based on capability, cost, and real-time utility. To address these challenges, we introduce a structured, automated framework for agentic system composition that is inspired by the knapsack problem. Our framework enables a composer agent to systematically identify, select, and assemble an optimal set of agentic components by jointly considering performance, budget constraints, and compatibility. By dynamically testing candidate components and modeling their utility in real-time, our approach streamlines the assembly of agentic systems and facilitates scalable reuse of resources. Empirical evaluation with Claude 3.5 Sonnet across five benchmarking datasets shows that our online-knapsack-based composer consistently lies on the Pareto frontier, achieving higher success rates at significantly lower component costs compared to our baselines. In the single-agent setup, the online knapsack composer shows a success rate improvement of up to 31.6% in comparison to the retrieval baselines. In multi-agent systems, the online knapsack composer increases success rate from 37% to 87% when agents are selected from an agent inventory of 100+ agents. The substantial performance gap confirms the robust adaptability of our method across diverse domains and budget constraints.
Authors: Eilene Tomkins-Flanagan, Connor Hanley, Mary A. Kelly
Abstract: We present a typed computer language, Doug, in which all typed programs may be proved to halt in polynomial time, encoded in a vector-symbolic architecture (VSA). Doug is just an encoding of the light linear functional programming language (LLFPL) described by (Schimanski2009, ch. 7). The types of Doug are encoded using a slot-value encoding scheme based on holographic declarative memory (HDM; Kelly, 2020). The terms of Doug are encoded using a variant of the Lisp VSA defined by (Flanagan, 2024). Doug allows for some points on the embedding space of a neural network to be interpreted as types, where the types of nearby points are similar both in structure and content. Types in Doug are therefore learnable by a neural network. Following (Chollet, 2019), (Card, 1983), and (Newell, 1981), we view skill as the application of a procedure, or program of action, that causes a goal to be satisfied. Skill acquisition may therefore be expressed as program synthesis. Using Doug, we hope to describe a form of learning of skilled behaviour that follows a human-like pace of skill acquisition (i.e., substantially faster than brute force; Heathcote, 2000), exceeding the efficiency of all currently existing approaches (Kaplan, 2020; Jones, 2021; Chollet, 2024). Our approach brings us one step closer to modeling human mental representations, as they must actually exist in the brain, and those representations' acquisition, as they are actually learned.
Authors: Niranjana Arun Menon, Yulong Li, Iqra Farooq, Sara Ahmed, Muhammad Awais, Imran Razzak
Abstract: Cardiovascular disease (CVD) risk stratification remains a major challenge due to its multifactorial nature and limited availability of high-quality labeled datasets. While genomic and electrophysiological data such as SNP variants and ECG phenotypes are increasingly accessible, effectively integrating these modalities in low-label settings is non-trivial. This challenge arises from the scarcity of well-annotated multimodal datasets and the high dimensionality of biological signals, which limit the effectiveness of conventional supervised models. To address this, we present a few-label multimodal framework that leverages large language models (LLMs) to combine genetic and electrophysiological information for cardiovascular risk stratification. Our approach incorporates a pseudo-label refinement strategy to adaptively distill high-confidence labels from weakly supervised predictions, enabling robust model fine-tuning with only a small set of ground-truth annotations. To enhance the interpretability, we frame the task as a Chain of Thought (CoT) reasoning problem, prompting the model to produce clinically relevant rationales alongside predictions. Experimental results demonstrate that the integration of multimodal inputs, few-label supervision, and CoT reasoning improves robustness and generalizability across diverse patient profiles. Experimental results using multimodal SNP variants and ECG-derived features demonstrated comparable performance to models trained on the full dataset, underscoring the promise of LLM-based few-label multimodal modeling for advancing personalized cardiovascular care.
Authors: Khaled Boughanmi, Kamel Jedidi, Nour Jedidi
Abstract: This research proposes a systematic, large language model (LLM) approach for extracting product and service attributes, features, and associated sentiments from customer reviews. Grounded in marketing theory, the framework distinguishes perceptual attributes from actionable features, producing interpretable and managerially actionable insights. We apply the methodology to 20,000 Yelp reviews of Starbucks stores and evaluate eight prompt variants on a random subset of reviews. Model performance is assessed through agreement with human annotations and predictive validity for customer ratings. Results show high consistency between LLMs and human coders and strong predictive validity, confirming the reliability of the approach. Human coders required a median of six minutes per review, whereas the LLM processed each in two seconds, delivering comparable insights at a scale unattainable through manual coding. Managerially, the analysis identifies attributes and features that most strongly influence customer satisfaction and their associated sentiments, enabling firms to pinpoint "joy points," address "pain points," and design targeted interventions. We demonstrate how structured review data can power an actionable marketing dashboard that tracks sentiment over time and across stores, benchmarks performance, and highlights high-leverage features for improvement. Simulations indicate that enhancing sentiment for key service features could yield 1-2% average revenue gains per store.
Authors: Qiongyan Wang, Xingchen Zou, Yutian Jiang, Haomin Wen, Jiaheng Wei, Qingsong Wen, Yuxuan Liang
Abstract: Rapid urbanization intensifies the demand for Urban General Intelligence (UGI), referring to AI systems that can understand and reason about complex urban environments. Recent studies have built urban foundation models using supervised fine-tuning (SFT) of LLMs and MLLMs, yet these models exhibit persistent geospatial bias, producing regionally skewed predictions and limited generalization. To this end, we propose Urban-R1, a reinforcement learning-based post-training framework that aligns MLLMs with the objectives of UGI. Urban-R1 adopts Group Relative Policy Optimization (GRPO) to optimize reasoning across geographic groups and employs urban region profiling as a proxy task to provide measurable rewards from multimodal urban data. Extensive experiments across diverse regions and tasks show that Urban-R1 effectively mitigates geo-bias and improves cross-region generalization, outperforming both SFT-trained and closed-source models. Our results highlight reinforcement learning alignment as a promising pathway toward equitable and trustworthy urban intelligence.
Authors: Seungho Cho, Changgeon Ko, Eui Jun Hwang, Junmyeong Lee, Huije Lee, Jong C. Park
Abstract: Large language models (LLMs) are increasingly used across diverse cultural contexts, making accurate cultural understanding essential. Prior evaluations have mostly focused on output-level performance, obscuring the factors that drive differences in responses, while studies using circuit analysis have covered few languages and rarely focused on culture. In this work, we trace LLMs' internal cultural understanding mechanisms by measuring activation path overlaps when answering semantically equivalent questions under two conditions: varying the target country while fixing the question language, and varying the question language while fixing the country. We also use same-language country pairs to disentangle language from cultural aspects. Results show that internal paths overlap more for same-language, cross-country questions than for cross-language, same-country questions, indicating strong language-specific patterns. Notably, the South Korea-North Korea pair exhibits low overlap and high variability, showing that linguistic similarity does not guarantee aligned internal representation.
Authors: Muhammad Ammar, Hadiya Murad Hadi, Usman Majeed Butt
Abstract: Large Language Models (LLMs) are now capable of generating text that closely resembles human writing, making them powerful tools for content creation, but this growing ability has also made it harder to tell whether a piece of text was written by a human or by a machine. This challenge becomes even more serious for languages like Urdu, where there are very few tools available to detect AI-generated text. To address this gap, we propose a novel AI-generated text detection framework tailored for the Urdu language. A balanced dataset comprising 1,800 humans authored, and 1,800 AI generated texts, sourced from models such as Gemini, GPT-4o-mini, and Kimi AI was developed. Detailed linguistic and statistical analysis was conducted, focusing on features such as character and word counts, vocabulary richness (Type Token Ratio), and N-gram patterns, with significance evaluated through t-tests and MannWhitney U tests. Three state-of-the-art multilingual transformer models such as mdeberta-v3-base, distilbert-base-multilingualcased, and xlm-roberta-base were fine-tuned on this dataset. The mDeBERTa-v3-base achieved the highest performance, with an F1-score 91.29 and accuracy of 91.26% on the test set. This research advances efforts in contesting misinformation and academic misconduct in Urdu-speaking communities and contributes to the broader development of NLP tools for low resource languages.
Authors: Byoungwoo Park, Juho Lee
Abstract: Understanding the continuous evolution of populations from discrete temporal snapshots is a critical research challenge, particularly in fields like developmental biology and systems medicine where longitudinal tracking of individual entities is often impossible. Such trajectory inference is vital for unraveling the mechanisms of dynamic processes. While Schr\"odinger Bridge (SB) offer a potent framework, their traditional application to pairwise time points can be insufficient for systems defined by multiple intermediate snapshots. This paper introduces Multi-Marginal Schr\"odinger Bridge Matching (MSBM), a novel algorithm specifically designed for the multi-marginal SB problem. MSBM extends iterative Markovian fitting (IMF) to effectively handle multiple marginal constraints. This technique ensures robust enforcement of all intermediate marginals while preserving the continuity of the learned global dynamics across the entire trajectory. Empirical validations on synthetic data and real-world single-cell RNA sequencing datasets demonstrate the competitive or superior performance of MSBM in capturing complex trajectories and respecting intermediate distributions, all with notable computational efficiency.
Authors: Eli N. Weinstein, Andrei Slabodkin, Mattia G. Gollub, Elizabeth B. Wood
Abstract: Biological machine learning is often bottlenecked by a lack of scaled data. One promising route to relieving data bottlenecks is through high throughput screens, which can experimentally test the activity of $10^6-10^{12}$ protein sequences in parallel. In this article, we introduce algorithms to optimize high throughput screens for data creation and model training. We focus on the large scale regime, where dataset sizes are limited by the cost of measurement and sequencing. We show that when active sequences are rare, we maximize information gain if we only collect positive examples of active sequences, i.e. $x$ with $y>0$. We can correct for the missing negative examples using a generative model of the library, producing a consistent and efficient estimate of the true $p(y | x)$. We demonstrate this approach in simulation and on a large scale screen of antibodies. Overall, co-design of experiments and inference lets us accelerate learning dramatically.
Authors: Abraham Atsiwo
Abstract: This study presents a three-step machine learning framework to predict bubbles in the S&P 500 stock market by combining financial news sentiment with macroeconomic indicators. Building on traditional econometric approaches, the proposed approach predicts bubble formation by integrating textual and quantitative data sources. In the first step, bubble periods in the S&P 500 index are identified using a right-tailed unit root test, a widely recognized real-time bubble detection method. The second step extracts sentiment features from large-scale financial news articles using natural language processing (NLP) techniques, which capture investors' expectations and behavioral patterns. In the final step, ensemble learning methods are applied to predict bubble occurrences based on high sentiment-based and macroeconomic predictors. Model performance is evaluated through k-fold cross-validation and compared against benchmark machine learning algorithms. Empirical results indicate that the proposed three-step ensemble approach significantly improves predictive accuracy and robustness, providing valuable early warning insights for investors, regulators, and policymakers in mitigating systemic financial risks.
Authors: Alireza Heshmati, Saman Soleimani Roudi, Sajjad Amini, Shahrokh Ghaemmaghami, Farokh Marvasti
Abstract: Existing adversarial attacks often neglect perturbation sparsity, limiting their ability to model structural changes and to explain how deep neural networks (DNNs) process meaningful input patterns. We propose ATOS (Attack Through Overlapping Sparsity), a differentiable optimization framework that generates structured, sparse adversarial perturbations in element-wise, pixel-wise, and group-wise forms. For white-box attacks on image classifiers, we introduce the Overlapping Smoothed L0 (OSL0) function, which promotes convergence to a stationary point while encouraging sparse, structured perturbations. By grouping channels and adjacent pixels, ATOS improves interpretability and helps identify robust versus non-robust features. We approximate the L-infinity gradient using the logarithm of the sum of exponential absolute values to tightly control perturbation magnitude. On CIFAR-10 and ImageNet, ATOS achieves a 100% attack success rate while producing significantly sparser and more structurally coherent perturbations than prior methods. The structured group-wise attack highlights critical regions from the network's perspective, providing counterfactual explanations by replacing class-defining regions with robust features from the target class.
Authors: Zhixuan He, Yue Feng
Abstract: Large Language Models (LLMs) demonstrate strong performance but often lack interpretable reasoning. This paper introduces the Multi-Agent Collaboration Framework for Diverse Thinking Modes (DiMo), which enhances both performance and interpretability by simulating a structured debate among four specialized LLM agents. Each agent embodies a distinct reasoning paradigm, allowing the framework to collaboratively explore diverse cognitive approaches. Through iterative debate, agents challenge and refine initial responses, yielding more robust conclusions and an explicit, auditable reasoning chain. Across six benchmarks and under a unified open-source setup, DiMo improves accuracy over widely used single-model and debate baselines, with the largest gains on math. We position DiMo as a semantics-aware, Web-native multi-agent framework: it models human-machine intelligence with LLM agents that produce semantically typed, URL-annotated evidence chains for explanations and user-friendly interactions. Although our experiments use standard reasoning benchmarks, the framework is designed to be instantiated over Web corpora and knowledge graphs, combining retrieval-augmented reasoning with structured justifications that downstream systems can inspect and reuse.
Authors: Zihan Wang, Yi-Ping Chen, Tuba Dolar, Wei Chen
Abstract: Modern scientific and engineering design increasingly involves distributed optimization, where agents such as laboratories, simulations, or industrial partners pursue related goals under differing conditions. These agents often face heterogeneities in objectives, evaluation budgets, and accessible design variables, which complicates coordination and can lead to redundancy, poor resource use, and ineffective information sharing. Bayesian Optimization (BO) is a widely used decision-making framework for expensive black box functions, but its single-agent formulation assumes centralized control and full data sharing. Recent collaborative BO methods relax these assumptions, yet they often require uniform resources, fully shared input spaces, and fixed task alignment, conditions rarely satisfied in practice. To address these challenges, we introduce Adaptive Resource Aware Collaborative Bayesian Optimization (ARCO-BO), a framework that explicitly accounts for heterogeneity in multi-agent optimization. ARCO-BO combines three components: a similarity and optima-aware consensus mechanism for adaptive information sharing, a budget-aware asynchronous sampling strategy for resource coordination, and a partial input space sharing for heterogeneous design spaces. Experiments on synthetic and high-dimensional engineering problems show that ARCO-BO consistently outperforms independent BO and existing collaborative BO via consensus approach, achieving robust and efficient performance in complex multi-agent settings.
Authors: Bingji Yi, Qiyuan Liu, Yuwei Cheng, Haifeng Xu
Abstract: Synthetic data has been increasingly used to train frontier generative models. However, recent study raises key concerns that iteratively retraining a generative model on its self-generated synthetic data may keep deteriorating model performance, a phenomenon often coined model collapse. In this paper, we investigate ways to modify this synthetic retraining process to avoid model collapse, and even possibly help reverse the trend from collapse to improvement. Our key finding is that by injecting information through an external synthetic data verifier, whether a human or a better model, synthetic retraining will not cause model collapse. To develop principled understandings of the above insight, we situate our analysis in the foundational linear regression setting, showing that iterative retraining with verified synthetic data can yield near-term improvements but ultimately drives the parameter estimate to the verifier's "knowledge center" in the long run. Our theory hence predicts that, unless the verifier is perfectly reliable, the early gains will plateau and may even reverse. Indeed, these theoretical insights are further confirmed by our experiments on both linear regression as well as Variational Autoencoders (VAEs) trained on MNIST data.
Authors: Yuntian Wang, Xilin Yang, Che-Yung Shen, Nir Pillar, Aydogan Ozcan
Abstract: We introduce Universal and Transferable Adversarial Perturbations (UTAP) for pathology foundation models that reveal critical vulnerabilities in their capabilities. Optimized using deep learning, UTAP comprises a fixed and weak noise pattern that, when added to a pathology image, systematically disrupts the feature representation capabilities of multiple pathology foundation models. Therefore, UTAP induces performance drops in downstream tasks that utilize foundation models, including misclassification across a wide range of unseen data distributions. In addition to compromising the model performance, we demonstrate two key features of UTAP: (1) universality: its perturbation can be applied across diverse field-of-views independent of the dataset that UTAP was developed on, and (2) transferability: its perturbation can successfully degrade the performance of various external, black-box pathology foundation models - never seen before. These two features indicate that UTAP is not a dedicated attack associated with a specific foundation model or image dataset, but rather constitutes a broad threat to various emerging pathology foundation models and their applications. We systematically evaluated UTAP across various state-of-the-art pathology foundation models on multiple datasets, causing a significant drop in their performance with visually imperceptible modifications to the input images using a fixed noise pattern. The development of these potent attacks establishes a critical, high-standard benchmark for model robustness evaluation, highlighting a need for advancing defense mechanisms and potentially providing the necessary assets for adversarial training to ensure the safe and reliable deployment of AI in pathology.
Authors: Huyen N. Nguyen, Nils Gehlenborg
Abstract: Effective visualization retrieval necessitates a clear definition of similarity. Despite the growing body of work in specialized visualization retrieval systems, a systematic approach to understanding visualization similarity remains absent. We introduce the Similarity Framework for Visualization Retrieval (Safire), a conceptual model that frames visualization similarity along two dimensions: comparison criteria and representation modalities. Comparison criteria identify the aspects that make visualizations similar, which we divide into primary facets (data, visual encoding, interaction, style, metadata) and derived properties (data-centric and human-centric measures). Safire connects what to compare with how comparisons are executed through representation modalities. We categorize existing representation approaches into four groups based on their levels of information content and visualization determinism: raster image, vector image, specification, and natural language description, together guiding what is computable and comparable. We analyze several visualization retrieval systems using Safire to demonstrate its practical value in clarifying similarity considerations. Our findings reveal how particular criteria and modalities align across different use cases. Notably, the choice of representation modality is not only an implementation detail but also an important decision that shapes retrieval capabilities and limitations. Based on our analysis, we provide recommendations and discuss broader implications for multimodal learning, AI applications, and visualization reproducibility.
Authors: Yiding Feng, Vahideh Manshadi, Rad Niazadeh, Saba Neyshabouri
Abstract: We consider a natural dynamic staffing problem in which a decision-maker sequentially hires workers over a finite horizon to meet an unknown demand revealed at the end. Predictions about demand arrive over time and become increasingly accurate, while worker availability decreases. This creates a fundamental trade-off between hiring early to avoid understaffing (when workers are more available but forecasts are less reliable) and hiring late to avoid overstaffing (when forecasts are more accurate but availability is lower). This problem is motivated by last-mile delivery operations, where companies such as Amazon rely on gig-economy workers whose availability declines closer to the operating day. To address practical limitations of Bayesian models (in particular, to remain agnostic to the underlying forecasting method), we study this problem under adversarial predictions. In this model, sequential predictions are adversarially chosen uncertainty intervals that (approximately) contain the true demand. The objective is to minimize worst-case staffing imbalance cost. Our main result is a simple and computationally efficient online algorithm that is minimax optimal. We first characterize the minimax cost against a restricted adversary via a polynomial-size linear program, then show how to emulate this solution in the general case. While our base model focuses on a single demand, we extend the framework to multiple demands (with egalitarian/utilitarian objectives), to settings with costly reversals of hiring decisions, and to inconsistent prediction intervals. We also introduce a practical "re-solving" variant of our algorithm, which we prove is also minimax optimal. Finally we conduct numerical experiments showing that our algorithms outperform Bayesian heuristics in both cost and speed, and are competitive with (approximate or exact) Bayesian-optimal policies when those can be computed.
Authors: Yiyang Liu, James C. Liang, Heng Fan, Wenhao Yang, Yiming Cui, Xiaotian Han, Lifu Huang, Dongfang Liu, Qifan Wang, Cheng Han
Abstract: Prompt-based learning has emerged as a parameter-efficient finetuning (PEFT) approach to facilitate Large Language Model (LLM) adaptation to downstream tasks by conditioning generation with task-aware guidance. Despite its successes, current prompt-based learning methods heavily rely on laborious grid searching for optimal prompt length and typically require considerable number of prompts, introducing additional computational burden. Worse yet, our pioneer findings indicate that the task-aware prompt design is inherently limited by its absence of instance-aware information, leading to a subtle attention interplay with the input sequence. In contrast, simply incorporating instance-aware information as a part of the guidance can enhance the prompt-tuned model performance without additional fine-tuning. Moreover, we find an interesting phenomenon, namely "attention anchor", that incorporating instance-aware tokens at the earliest position of the sequence can successfully preserve strong attention to critical structural information and exhibit more active attention interaction with all input tokens. In light of our observation, we introduce Capsule Prompt-Tuning (CaPT), an efficient and effective solution that leverages off-the-shelf, informative instance semantics into prompt-based learning. Our approach innovatively integrates both instance-aware and task-aware information in a nearly parameter-free manner (i.e., one single capsule prompt). Empirical results demonstrate that our method can exhibit superior performance across various language tasks (e.g., 84.03\% average accuracy on T5-Large), serving as an "attention anchor," while enjoying high parameter efficiency (e.g., 0.003\% of model parameters on Llama3.2-1B).
Authors: Daniel Augusto de Souza, Yuchen Zhu, Harry Jake Cunningham, Yuri Saporito, Diego Mesquita, Marc Peter Deisenroth
Abstract: A variety of infinitely wide neural architectures (e.g., dense NNs, CNNs, and transformers) induce Gaussian process (GP) priors over their outputs. These relationships provide both an accurate characterization of the prior predictive distribution and enable the use of GP machinery to improve the uncertainty quantification of deep neural networks. In this work, we extend this connection to neural operators (NOs), a class of models designed to learn mappings between function spaces. Specifically, we show conditions for when arbitrary-depth NOs with Gaussian-distributed convolution kernels converge to function-valued GPs. Based on this result, we show how to compute the covariance functions of these NO-GPs for two NO parametrizations, including the popular Fourier neural operator (FNO). With this, we compute the posteriors of these GPs in regression scenarios, including PDE solution operators. This work is an important step towards uncovering the inductive biases of current FNO architectures and opens a path to incorporate novel inductive biases for use in kernel-based operator learning methods.
Authors: Tianxin Wei, Yifan Chen, Xinrui He, Wenxuan Bao, Jingrui He
Abstract: Distribution shifts between training and testing samples frequently occur in practice and impede model generalization performance. This crucial challenge thereby motivates studies on domain generalization (DG), which aim to predict the label on unseen target domain data by solely using data from source domains. It is intuitive to conceive the class-separated representations learned in contrastive learning (CL) are able to improve DG, while the reality is quite the opposite: users observe directly applying CL deteriorates the performance. We analyze the phenomenon with the insights from CL theory and discover lack of intra-class connectivity in the DG setting causes the deficiency. We thus propose a new paradigm, domain-connecting contrastive learning (DCCL), to enhance the conceptual connectivity across domains and obtain generalizable representations for DG. On the data side, more aggressive data augmentation and cross-domain positive samples are introduced to improve intra-class connectivity. On the model side, to better embed the unseen test domains, we propose model anchoring to exploit the intra-class connectivity in pre-trained representations and complement the anchoring with generative transformation loss. Extensive experiments on five standard DG benchmarks are performed. The results verify that DCCL outperforms state-of-the-art baselines even without domain supervision. The detailed model implementation and the code are provided through https://github.com/weitianxin/DCCL
Authors: Asmita Mohanty, Gezheng Kang, Lei Gao, Murali Annavaram
Abstract: Large Language Models (LLMs) have demonstrated strong performance across diverse tasks, but fine-tuning them typically relies on cloud-based, centralized infrastructures. This requires data owners to upload potentially sensitive data to external servers, raising serious privacy concerns. An alternative approach is to fine-tune LLMs directly on edge devices using local data; however, this introduces a new challenge: the model owner must transfer proprietary models to the edge, which risks intellectual property (IP) leakage. To address this dilemma, we propose DistilLock, a TEE-assisted fine-tuning framework that enables privacy-preserving knowledge distillation on the edge. In DistilLock, a proprietary foundation model is executed within a trusted execution environment (TEE) enclave on the data owner's device, acting as a secure black-box teacher. This setup preserves both data privacy and model IP by preventing direct access to model internals. Furthermore, DistilLock employs a model obfuscation mechanism to offload obfuscated weights to untrusted accelerators for efficient knowledge distillation without compromising security. We demonstrate that DistilLock prevents unauthorized knowledge distillation processes and model-stealing attacks while maintaining high computational efficiency, but offering a secure and practical solution for edge-based LLM personalization.
Authors: Xusheng Yang, Long Zhou, Wenfu Wang, Kai Hu, Shulin Feng, Chenxing Li, Meng Yu, Dong Yu, Yuexian Zou
Abstract: We propose \textbf{U-Codec}, an \textbf{U}ltra low frame-rate neural speech \textbf{Codec} that achieves high-fidelity reconstruction and fast speech generation at an extremely low frame-rate of 5Hz (5 frames per second). Extreme compression at 5Hz typically leads to severe intelligibility and spectral detail loss, we introduce a Transformer-based inter-frame long-term dependency module and systematically explore residual vector quantization (RVQ) depth and codebook size to identify optimal configurations. Moreover, we apply U-Codec into a large language model (LLM)-based auto-regressive TTS model, which leverages global and local hierarchical architecture to effectively capture dependencies across multi-layer tokens. We extend LLM-based TTS from 3-layer RVQ at 50Hz to 32-layer RVQ at 5Hz. Experimental results demonstrate that U-Codec improves LLM-based TTS inference speed by around 3 $\times$ over high-frame-rate codecs while maintaining similarity and naturalness. These results validate the feasibility of using highly compressed 5Hz discrete tokens for fast and high-fidelity speech synthesis.
Authors: Christian Bayer, Davit Gogolashvili, Luca Pelizzari
Abstract: We study nonparametric regression and classification for path-valued data. We introduce a functional Nadaraya-Watson estimator that combines the signature transform from rough path theory with local kernel regression. The signature transform provides a principled way to encode sequential data through iterated integrals, enabling direct comparison of paths in a natural metric space. Our approach leverages signature-induced distances within the classical kernel regression framework, achieving computational efficiency while avoiding the scalability bottlenecks of large-scale kernel matrix operations. We establish finite-sample convergence bounds demonstrating favorable statistical properties of signature-based distances compared to traditional metrics in infinite-dimensional settings. We propose robust signature variants that provide stability against outliers, enhancing practical performance. Applications to both synthetic and real-world data - including stochastic differential equation learning and time series classification - demonstrate competitive accuracy while offering significant computational advantages over existing methods.
Authors: Aniket Agrawal, Harsharanga Patil
Abstract: This paper introduces a control-theoretic framework for dynamic payment routing, implemented within JUSPAY's Payment Orchestrator to maximize transaction success rate. The routing system is modeled as a closed-loop feedback controller continuously sensing gateway performance, computing corrective actions, and dynamically routes transactions across gateway to ensure operational resilience. The system leverages concepts from control theory, reinforcement learning, and multi-armed bandit optimization to achieve both short-term responsiveness and long-term stability. Rather than relying on explicit PID regulation, the framework applies generalized feedback-based adaptation, ensuring that corrective actions remain proportional to observed performance deviations and the computed gateway score gradually converges toward the success rate. This hybrid approach unifies control theory and adaptive decision systems, enabling self-regulating transaction routing that dampens instability, and improves reliability. Live production results show an improvement of up to 1.15% in success rate over traditional rule-based routing, demonstrating the effectiveness of feedback-based control in payment systems.
Authors: Rohan Sen
Abstract: We develop a reproducing kernel Hilbert space (RKHS) framework for nonparametric mean-variance optimization and inference on shape constraints of the optimal rule. We derive statistical properties of the sample estimator and provide rigorous theoretical guarantees, such as asymptotic consistency, a functional central limit theorem, and a finite-sample deviation bound that matches the Monte Carlo rate up to regularization. Building on these findings, we introduce a joint Wald-type statistic to test for shape constraints over finite grids. The approach comes with an efficient computational procedure based on a pivoted Cholesky factorization, facilitating scalability to large datasets. Empirical tests suggest favorably of the proposed methodology.
Authors: Ivan Molodetskikh, Kirill Malyshev, Mark Mirgaleev, Nikita Zagainov, Evgeney Bogatyrev, Dmitriy Vatolin
Abstract: Generative image super-resolution (SR) is rapidly advancing in visual quality and detail restoration. As the capacity of SR models expands, however, so does their tendency to produce artifacts: incorrect, visually disturbing details that reduce perceived quality. Crucially, their perceptual impact varies: some artifacts are barely noticeable while others strongly degrade the image. We argue that artifacts should be characterized by their prominence to human observers rather than treated as uniform binary defects. Motivated by this, we present a novel dataset of 1302 artifact examples from 11 contemporary image-SR methods, where each artifact is paired with a crowdsourced prominence score. Building on this dataset, we train a lightweight regressor that produces spatial prominence heatmaps and outperforms existing methods at detecting prominent artifacts. We release the dataset and code to facilitate prominence-aware evaluation and mitigation of SR artifacts.
Authors: Tongyang Li, Xinzhao Wang, Yexin Zhang
Abstract: Computing Nash equilibria of zero-sum games in classical and quantum settings is extensively studied. For general-sum games, computing Nash equilibria is PPAD-hard and the computing of a more general concept called correlated equilibria has been widely explored in game theory. In this paper, we initiate the study of quantum algorithms for computing $\varepsilon$-approximate correlated equilibria (CE) and coarse correlated equilibria (CCE) in multi-player normal-form games. Our approach utilizes quantum improvements to the multi-scale Multiplicative Weight Update (MWU) method for CE calculations, achieving a query complexity of $\tilde{O}(m\sqrt{n})$ for fixed $\varepsilon$. For CCE, we extend techniques from quantum algorithms for zero-sum games to multi-player settings, achieving query complexity $\tilde{O}(m\sqrt{n}/\varepsilon^{2.5})$. Both algorithms demonstrate a near-optimal scaling in the number of players $m$ and actions $n$, as confirmed by our quantum query lower bounds.
Authors: Pengfei Gao, Chao Peng
Abstract: LLM-powered coding agents, which operate in iterative loops (turns) to solve software engineering tasks, are becoming increasingly powerful. However, their practical deployment is hindered by significant and unpredictable costs. This challenge arises from a combination of factors: quadratically growing token counts with each turn, the high price of models, the large number of turns required for real-world tasks, and the tendency of agents to take inefficient or unnecessary actions. While existing research focuses on optimizing individual turns, the strategic control of the total number of turns remains an underexplored area for managing agent performance and cost. To address this gap, we conduct a comprehensive empirical study on SWE-bench using three state-of-the-art models and evaluate the impact of three distinct turn-control strategies: an unrestricted baseline, a fixed-turn limit with reminders, and a novel dynamic-turn strategy that grants extensions on-demand. Our findings first reveal a fundamental trade-off in the unrestricted setting, where no single model excels across performance, cost, and turn efficiency. We then show that a fixed-turn limit, specifically at the 75th percentile of the baseline, serves as a "sweet spot", substantially reducing costs (by 24%-68%) with minimal impact on solve rates. Most significantly, the dynamic-turn strategy consistently outperforms fixed-limit approaches, achieving comparable or better solve rates while further reducing costs by an additional 12%-24% by intelligently allocating resources only to tasks that need them. This work provides the first systematic analysis of turn-control strategies, offering simple yet effective guidelines for developers to balance cost and efficacy. We demonstrate that dynamic resource allocation is a superior, easy-to-implement approach for deploying powerful yet economically viable coding agents.
Authors: Jie Zhang, Meng Ding, Yang Liu, Jue Hong, Florian Tram\`er
Abstract: We present a novel approach for attacking black-box large language models (LLMs) by exploiting their ability to express confidence in natural language. Existing black-box attacks require either access to continuous model outputs like logits or confidence scores (which are rarely available in practice), or rely on proxy signals from other models. Instead, we demonstrate how to prompt LLMs to express their internal confidence in a way that is sufficiently calibrated to enable effective adversarial optimization. We apply our general method to three attack scenarios: adversarial examples for vision-LLMs, jailbreaks and prompt injections. Our attacks successfully generate malicious inputs against systems that only expose textual outputs, thereby dramatically expanding the attack surface for deployed LLMs. We further find that better and larger models exhibit superior calibration when expressing confidence, creating a concerning security paradox where model capability improvements directly enhance vulnerability. Our code is available at this [link](https://github.com/zj-jayzhang/black_box_llm_optimization).
URLs: https://github.com/zj-jayzhang/black_box_llm_optimization).
Authors: Jing Yang, Sirui Wang, Chao Wu, Fan Fan
Abstract: We propose Schr\"odinger Bridge Mamba (SBM), a new concept of training-inference framework motivated by the inherent compatibility between Schr\"odinger Bridge (SB) training paradigm and selective state-space model Mamba. We exemplify the concept of SBM with an implementation for generative speech enhancement. Experiments on a joint denoising and dereverberation task using four benchmark datasets demonstrate that SBM, with only 1-step inference, outperforms strong baselines with 1-step or iterative inference and achieves the best real-time factor (RTF). Beyond speech enhancement, we discuss the integration of SB paradigm and selective state-space model architecture based on their underlying alignment, which indicates a promising direction for exploring new deep generative models potentially applicable to a broad range of generative tasks. Demo page: https://sbmse.github.io
URLs: https://sbmse.github.io
Authors: Mansi Phute, Matthew Hull, Haoran Wang, Alec Helbling, ShengYun Peng, Willian Lunardi, Martin Andreoni, Wenke Lee, Polo Chau
Abstract: Deep learning models deployed in safety critical applications like autonomous driving use simulations to test their robustness against adversarial attacks in realistic conditions. However, these simulations are non-differentiable, forcing researchers to create attacks that do not integrate simulation environmental factors, reducing attack success. To address this limitation, we introduce UNDREAM, the first software framework that bridges the gap between photorealistic simulators and differentiable renderers to enable end-to-end optimization of adversarial perturbations on any 3D objects. UNDREAM enables manipulation of the environment by offering complete control over weather, lighting, backgrounds, camera angles, trajectories, and realistic human and object movements, thereby allowing the creation of diverse scenes. We showcase a wide array of distinct physically plausible adversarial objects that UNDREAM enables researchers to swiftly explore in different configurable environments. This combination of photorealistic simulation and differentiable optimization opens new avenues for advancing research of physical adversarial attacks.
Authors: Vikram Kher, Argyris Oikonomou, Manolis Zampetakis
Abstract: The remarkable success of machine learning (ML) in predictive tasks has led scientists to incorporate ML predictions as a core component of the scientific discovery pipeline. This was exemplified by the landmark achievement of AlphaFold (Jumper et al. (2021)). In this paper, we study how ML predictions can be safely used in statistical analysis of data towards scientific discovery. In particular, we follow the framework introduced by Angelopoulos et al. (2023). In this framework, we assume access to a small set of $n$ gold-standard labeled samples, a much larger set of $N$ unlabeled samples, and a ML model that can be used to impute the labels of the unlabeled data points. We introduce two new learning-augmented estimators: (1) Prediction-Augmented Residual Tree (PART), and (2) Prediction-Augmented Quadrature (PAQ). Both estimators have significant advantages over existing estimators like PPI and PPI++ introduced by Angelopoulos et al. (2023) and Angelopoulos et al. (2024), respectively. PART is a decision-tree based estimator built using a greedy criterion. We first characterize PART's asymptotic distribution and demonstrate how to construct valid confidence intervals. Then we show that PART outperforms existing methods in real-world datasets from ecology, astronomy, and census reports, among other domains. This leads to estimators with higher confidence, which is the result of using both the gold-standard samples and the machine learning predictions. Finally, we provide a formal proof of the advantage of PART by exploring PAQ, an estimation that arises when considering the limit of PART when the depth its tree grows to infinity. Under appropriate assumptions in the input data we show that the variance of PAQ shrinks at rate of $O(N^{-1} + n^{-4})$, improving significantly on the $O(N^{-1}+n^{-1})$ rate of existing methods.
Authors: Alok Das, Kiseop Lee
Abstract: Deep hedging uses recurrent neural networks to hedge financial products that cannot be fully hedged in incomplete markets. Previous work in this area focuses on minimizing some measure of quadratic hedging error by calculating pathwise gradients, but doing so requires large batch sizes and can make training effective models in a reasonable amount of time challenging. We show that by adding certain topological features, we can reduce batch sizes substantially and make training these models more practically feasible without greatly compromising hedging performance.
Authors: Yuanzhi Zhu, Eleftherios Tsonis, Lucas Degeorge, Vicky Kalogeiton
Abstract: Diffusion and flow models achieve high generative quality but remain computationally expensive due to slow multi-step sampling. Distillation methods accelerate them by training fast student generators, yet most existing objectives lack a unified theoretical foundation. In this work, we propose Di-Bregman, a compact framework that formulates diffusion distillation as Bregman divergence-based density-ratio matching. This convex-analytic view connects several existing objectives through a common lens. Experiments on CIFAR-10 and text-to-image generation demonstrate that Di-Bregman achieves improved one-step FID over reverse-KL distillation and maintains high visual fidelity compared to the teacher model. Our results highlight Bregman density-ratio matching as a practical and theoretically-grounded route toward efficient one-step diffusion generation.
Authors: Akif Islam, Mohd Ruhul Ameen
Abstract: Bengali social media platforms have witnessed a sharp increase in hate speech, disproportionately affecting women and adolescents. While datasets such as BD-SHS provide a basis for structured evaluation, most prior approaches rely on either computationally costly full-model fine-tuning or proprietary APIs. This paper presents the first application of Parameter-Efficient Fine-Tuning (PEFT) for Bengali hate speech detection using LoRA and QLoRA. Three instruction-tuned large language models - Gemma-3-4B, Llama-3.2-3B, and Mistral-7B - were fine-tuned on the BD-SHS dataset of 50,281 annotated comments. Each model was adapted by training fewer than 1% of its parameters, enabling experiments on a single consumer-grade GPU. The results show that Llama-3.2-3B achieved the highest F1-score of 92.23%, followed by Mistral-7B at 88.94% and Gemma-3-4B at 80.25%. These findings establish PEFT as a practical and replicable strategy for Bengali and related low-resource languages.
Authors: Hamza Cherkaoui, H\'el\`ene Halconruy, Yohan Petetin
Abstract: In many business settings, task-specific labeled data are scarce or costly to obtain, which limits supervised learning on a specific task. To address this challenge, we study sample sharing in the case of ridge regression: leveraging an auxiliary data set while explicitly protecting against negative transfer. We introduce a principled, data-driven rule that decides how many samples from an auxiliary dataset to add to the target training set. The rule is based on an estimate of the transfer gain i.e. the marginal reduction in the predictive error. Building on this estimator, we derive finite-sample guaranties: under standard conditions, the procedure borrows when it improves parameter estimation and abstains otherwise. In the Gaussian feature setting, we analyze which data set properties ensure that borrowing samples reduces the predictive error. We validate the approach in synthetic and real datasets, observing consistent gains over strong baselines and single-task training while avoiding negative transfer.
Authors: Masahiro Kaneko, Timothy Baldwin
Abstract: Adversarial attacks by malicious users that threaten the safety of large language models (LLMs) can be viewed as attempts to infer a target property $T$ that is unknown when an instruction is issued, and becomes knowable only after the model's reply is observed. Examples of target properties $T$ include the binary flag that triggers an LLM's harmful response or rejection, and the degree to which information deleted by unlearning can be restored, both elicited via adversarial instructions. The LLM reveals an \emph{observable signal} $Z$ that potentially leaks hints for attacking through a response containing answer tokens, thinking process tokens, or logits. Yet the scale of information leaked remains anecdotal, leaving auditors without principled guidance and defenders blind to the transparency--risk trade-off. We fill this gap with an information-theoretic framework that computes how much information can be safely disclosed, and enables auditors to gauge how close their methods come to the fundamental limit. Treating the mutual information $I(Z;T)$ between the observation $Z$ and the target property $T$ as the leaked bits per query, we show that achieving error $\varepsilon$ requires at least $\log(1/\varepsilon)/I(Z;T)$ queries, scaling linearly with the inverse leak rate and only logarithmically with the desired accuracy. Thus, even a modest increase in disclosure collapses the attack cost from quadratic to logarithmic in terms of the desired accuracy. Experiments on seven LLMs across system-prompt leakage, jailbreak, and relearning attacks corroborate the theory: exposing answer tokens alone requires about a thousand queries; adding logits cuts this to about a hundred; and revealing the full thinking process trims it to a few dozen. Our results provide the first principled yardstick for balancing transparency and security when deploying LLMs.
Authors: Noor Islam S. Mohammad
Abstract: Toxic comment detection remains a challenging task, where transformer-based models (e.g., BERT) incur high computational costs and degrade on minority toxicity classes, while classical ensembles lack semantic adaptability. We propose xLSTM, a parameter-efficient and theoretically grounded framework that unifies cosine-similarity gating, adaptive feature prioritization, and principled class rebalancing. A learnable reference vector {v} in {R}^d modulates contextual embeddings via cosine similarity, amplifying toxic cues and attenuating benign signals to yield stronger gradients under severe class imbalance. xLSTM integrates multi-source embeddings (GloVe, FastText, BERT CLS) through a projection layer, a character-level BiLSTM for morphological cues, embedding-space SMOTE for minority augmentation, and adaptive focal loss with dynamic class weighting. On the Jigsaw Toxic Comment benchmark, xLSTM attains 96.0% accuracy and 0.88 macro-F1, outperforming BERT by 33% on threat and 28% on identity_hate categories, with 15 times fewer parameters and 50ms inference latency. Cosine gating contributes a +4.8% F1 gain in ablations. The results establish a new efficiency adaptability frontier, demonstrating that lightweight, theoretically informed architectures can surpass large pretrained models on imbalanced, domain-specific NLP tasks.
Authors: Kyle Cox, Jiawei Xu, Yikun Han, Rong Xu, Tianhao Li, Chi-Yang Hsu, Tianlong Chen, Walter Gerych, Ying Ding
Abstract: An interesting behavior in large language models (LLMs) is prompt sensitivity. When provided with different but semantically equivalent versions of the same prompt, models may produce very different distributions of answers. This suggests that the uncertainty reflected in a model's output distribution for one prompt may not reflect the model's uncertainty about the meaning of the prompt. We model prompt sensitivity as a type of generalization error, and show that sampling across the semantic ``concept space'' with paraphrasing perturbations improves uncertainty calibration without compromising accuracy. Additionally, we introduce a new metric for uncertainty decomposition in black-box LLMs that improves upon entropy-based decomposition by modeling semantic continuities in natural language generation. We show that this decomposition metric can be used to quantify how much LLM uncertainty is attributed to prompt sensitivity. Our work introduces a new way to improve uncertainty calibration in prompt-sensitive language models, and provides evidence that some LLMs fail to exhibit consistent general reasoning about the meanings of their inputs.
Authors: Deepak Sridhar, Kartikeya Bhardwaj, Jeya Pradha Jeyaraj, Nuno Vasconcelos, Ankita Nayak, Harris Teague
Abstract: Video reasoning using Large Multimodal Models (LMMs) relies on costly reinforcement learning (RL) and verbose chain-of-thought, resulting in substantial computational overhead during both training and inference. Moreover, the mechanisms that control the thinking process in these reasoning models are very limited. In this paper, using entropy of the model's output as a signal, we discover that the high-quality models go through a series of micro-explorations and micro-exploitations which keep the reasoning process grounded (i.e., avoid excessive randomness while the model is exploring or thinking through an answer). We further observe that once this "thinking" process is over, more accurate models demonstrate a better convergence by reducing the entropy significantly via a final exploitation phase (i.e., a more certain convergence towards a solution trajectory). We then use these novel, theoretically-grounded insights to tune the model's behavior directly at inference, without using any RL or supervised fine-tuning. Specifically, during inference, our proposed approach called V-Reason (Video-Reason) adapts the value cache of the LMM via a few optimization steps on a small, trainable controller using an entropy-based objective, i.e., no supervision from any dataset or RL is necessary. This tuning improves the model's micro-exploration and exploitation behavior during inference. Our experiments show that our proposed method achieves significant improvements over the base instruction-tuned models across several video reasoning datasets, narrowing the gap with RL-trained models to within 0.6% average accuracy without any training, while offering massive efficiency benefits: output tokens are reduced by 58.6% compared to the RL model.
Authors: Shunan Sheng, Bohan Wu, Alberto Gonz\'alez-Sanz
Abstract: Mean-field variational inference (MFVI) is a widely used method for approximating high-dimensional probability distributions by product measures. It has been empirically observed that MFVI optimizers often suffer from mode collapse. Specifically, when the target measure $\pi$ is a mixture $\pi = w P_0 + (1 - w) P_1$, the MFVI optimizer tends to place most of its mass near a single component of the mixture. This work provides the first theoretical explanation of mode collapse in MFVI. We introduce the notion to capture the separatedness of the two mixture components -- called $\varepsilon$-separateness -- and derive explicit bounds on the fraction of mass that any MFVI optimizer assigns to each component when $P_0$ and $P_1$ are $\varepsilon$-separated for sufficiently small $\varepsilon$. Our results suggest that the occurrence of mode collapse crucially depends on the relative position of the components. To address this issue, we propose the rotational variational inference (RoVI), which augments MFVI with a rotation matrix. The numerical studies support our theoretical findings and demonstrate the benefits of RoVI.
Authors: Ioannis Anagnostides, Emanuel Tewolde, Brian Hu Zhang, Ioannis Panageas, Vincent Conitzer, Tuomas Sandholm
Abstract: Regret matching (RM} -- and its modern variants -- is a foundational online algorithm that has been at the heart of many AI breakthrough results in solving benchmark zero-sum games, such as poker. Yet, surprisingly little is known so far in theory about its convergence beyond two-player zero-sum games. For example, whether regret matching converges to Nash equilibria in potential games has been an open problem for two decades. Even beyond games, one could try to use RM variants for general constrained optimization problems. Recent empirical evidence suggests that they -- particularly regret matching$^+$ (RM$^+$) -- attain strong performance on benchmark constrained optimization problems, outperforming traditional gradient descent-type algorithms. We show that alternating RM$^+$ converges to an $\epsilon$-KKT point after $O_\epsilon(1/\epsilon^4)$ iterations, establishing for the first time that it is a sound and fast first-order optimizer. Our argument relates the KKT gap to the accumulated regret, two quantities that are entirely disparate in general but interact in an intriguing way in our setting, so much so that when regrets are bounded, our complexity bound improves all the way to $O_\epsilon(1/\epsilon^2)$. From a technical standpoint, while RM$^+$ does not have the usual one-step improvement property in general, we show that it does in a certain region that the algorithm will quickly reach and remain in thereafter. In sharp contrast, our second main result establishes a lower bound: RM, with or without alternation, can take an exponential number of iterations to reach a crude approximate solution even in two-player potential games. This represents the first worst-case separation between RM and RM$^+$. Our lower bound shows that convergence to coarse correlated equilibria in potential games is exponentially faster than convergence to Nash equilibria.
Authors: Kyum Kim, Yaqing Chen, Paromita Dubey
Abstract: Regression with non-Euclidean responses -- e.g., probability distributions, networks, symmetric positive-definite matrices, and compositions -- has become increasingly important in modern applications. In this paper, we propose deep Fr\'echet neural networks (DFNNs), an end-to-end deep learning framework for predicting non-Euclidean responses -- which are considered as random objects in a metric space -- from Euclidean predictors. Our method leverages the representation-learning power of deep neural networks (DNNs) to the task of approximating conditional Fr\'echet means of the response given the predictors, the metric-space analogue of conditional expectations, by minimizing a Fr\'echet risk. The framework is highly flexible, accommodating diverse metrics and high-dimensional predictors. We establish a universal approximation theorem for DFNNs, advancing the state-of-the-art of neural network approximation theory to general metric-space-valued responses without making model assumptions or relying on local smoothing. Empirical studies on synthetic distributional and network-valued responses, as well as a real-world application to predicting employment occupational compositions, demonstrate that DFNNs consistently outperform existing methods.
Authors: Tianyang Xu, Dan Zhang, Kushan Mitra, Estevam Hruschka
Abstract: Large language model (LLM) agents are increasingly deployed to tackle complex tasks, often necessitating collaboration among multiple specialized agents. However, multi-agent collaboration introduces new challenges in planning, coordination, and verification. Execution failures frequently arise not from flawed reasoning alone, but from subtle misalignments in task interpretation, output format, or inter-agent handoffs. To address these challenges, we present VeriMAP, a framework for multi-agent collaboration with verification-aware planning. The VeriMAP planner decomposes tasks, models subtask dependencies, and encodes planner-defined passing criteria as subtask verification functions (VFs) in Python and natural language. We evaluate VeriMAP on diverse datasets, demonstrating that it outperforms both single- and multi-agent baselines while enhancing system robustness and interpretability. Our analysis highlights how verification-aware planning enables reliable coordination and iterative refinement in multi-agent systems, without relying on external labels or annotations.
Authors: Weifan Guan, Qinghao Hu, Aosheng Li, Jian Cheng
Abstract: Vision-Language-Action (VLA) models extend vision-language models to embodied control by mapping natural-language instructions and visual observations to robot actions. Despite their capabilities, VLA systems face significant challenges due to their massive computational and memory demands, which conflict with the constraints of edge platforms such as on-board mobile manipulators that require real-time performance. Addressing this tension has become a central focus of recent research. In light of the growing efforts toward more efficient and scalable VLA systems, this survey provides a systematic review of approaches for improving VLA efficiency, with an emphasis on reducing latency, memory footprint, and training and inference costs. We categorize existing solutions into four dimensions: model architecture, perception feature, action generation, and training/inference strategies, summarizing representative techniques within each category. Finally, we discuss future trends and open challenges, highlighting directions for advancing efficient embodied intelligence.
Authors: Hyunjin Choo, Fanchen Bu, Hyunjin Hwang, Young-Gyu Yoon, Kijung Shin
Abstract: Higher-order interactions (HOIs) in complex systems, such as scientific collaborations, multi-protein complexes, and multi-user communications, are commonly modeled as hypergraphs, where each hyperedge (i.e., a subset of nodes) represents an HOI among the nodes. Given a hypergraph, hyperedge prediction aims to identify hyperedges that are either missing or likely to form in the future, and it has broad applications, including recommending interest-based social groups, predicting collaborations, and uncovering functional complexes in biological systems. However, the vast search space of hyperedge candidates (i.e., all possible subsets of nodes) poses a significant computational challenge, making naive exhaustive search infeasible. As a result, existing approaches rely on either heuristic sampling to obtain constrained candidate sets or ungrounded assumptions on hypergraph structure to select promising hyperedges. In this work, we propose HyperSearch, a search-based algorithm for hyperedge prediction that efficiently evaluates unconstrained candidate sets, by incorporating two key components: (1) an empirically grounded scoring function derived from observations in real-world hypergraphs and (2) an efficient search mechanism, where we derive and use an anti-monotonic upper bound of the original scoring function (which is not antimonotonic) to prune the search space. This pruning comes with theoretical guarantees, ensuring that discarded candidates are never better than the kept ones w.r.t. the original scoring function. In extensive experiments on 10 real-world hypergraphs across five domains, HyperSearch consistently outperforms state-of-the-art baselines, achieving higher accuracy in predicting new (i.e., not in the training set) hyperedges.
Authors: Muhammad Wahid Akram, Keshav Sood, Muneeb Ul Hassan
Abstract: Globally, individuals and organizations employ Quick Response (QR) codes for swift and convenient communication. Leveraging this, cybercriminals embed falsify and misleading information in QR codes to launch various phishing attacks which termed as Quishing. Many former studies have introduced defensive approaches to preclude Quishing such as by classifying the embedded content of QR codes and then label the QR codes accordingly, whereas other studies classify them using visual features (i.e., deep features, histogram density analysis features). However, these approaches mainly rely on black-box techniques which do not clearly provide interpretability and transparency to fully comprehend and reproduce the intrinsic decision process; therefore, having certain obvious limitations includes the approaches' trust, accountability, issues in bias detection, and many more. We proposed QR\"iS, the pioneer method to classify QR codes through the comprehensive structural analysis of a QR code which helps to identify phishing QR codes beforehand. Our classification method is clearly transparent which makes it reproducible, scalable, and easy to comprehend. First, we generated QR codes dataset (i.e. 400,000 samples) using recently published URLs datasets [1], [2]. Then, unlike black-box models, we developed a simple algorithm to extract 24 structural features from layout patterns present in QR codes. Later, we train the machine learning models on the harvested features and obtained accuracy of up to 83.18%. To further evaluate the effectiveness of our approach, we perform the comparative analysis of proposed method with relevant contemporary studies. Lastly, for real-world deployment and validation, we developed a mobile app which assures the feasibility of the proposed solution in real-world scenarios which eventually strengthen the applicability of the study.
Authors: Jiaqi Leng, Xiang Hu, Junxiong Wang, Jianguo Li, Wei Wu, Yucheng Lu
Abstract: Effectively processing long contexts is a critical challenge for language models. While standard Transformers are limited by quadratic complexity and poor length extrapolation, alternative architectures like sliding window attention and state space models sacrifice the ability to effectively utilize the full context due to their fixed-size memory. Chunk-based sparse attention has emerged as a promising paradigm for extreme length generalization, yet the key architectural principles underpinning its success are not yet fully understood. In this work, we present a systematic dissection of these models to identify the core components driving their performance. Through a unified framework and comprehensive ablation studies, we demonstrate that a combination of three design principles is critical: (1) an expressive, non-linear Chunk Encoder with a dedicated CLS token to produce representations for retrieval; (2) a Bypassing Residual Path to stably integrate retrieved global information without it being overridden by the local residual stream; and (3) enforced selection sparsity during pre-training to bridge the train-test distribution gap. We provide a theoretical motivation for intra-chunk information processing and landmark generation. By combining these principles, we establish a new state-of-the-art for training-free length extrapolation, successfully generalizing models trained on a 4K context to 32 million tokens on RULER and BABILong. Our findings provide a clear and empirically-grounded set of design principles for developing future, highly-capable long-context language models.
Authors: Tingsong Xiao, Yao An Lee, Zelin Xu, Yupu Zhang, Zibo Liu, Yu Huang, Jiang Bian, Serena Jingchuan Guo, Zhe Jiang
Abstract: Disease progression modeling aims to characterize and predict how a patient's disease complications worsen over time based on longitudinal electronic health records (EHRs). Accurate modeling of disease progression, such as type 2 diabetes, can enhance patient sub-phenotyping and inform effective and timely interventions. However, the problem is challenging due to the need to learn continuous-time dynamics of progression patterns based on irregular-time event samples and patient heterogeneity (\eg different progression rates and pathways). Existing mechanistic and data-driven methods either lack adaptability to learn from real-world data or fail to capture complex continuous-time dynamics on progression trajectories. To address these limitations, we propose Temporally Detailed Hypergraph Neural Ordinary Differential Equation (TD-HNODE), which represents disease progression on clinically recognized trajectories as a temporally detailed hypergraph and learns the continuous-time progression dynamics via a neural ODE framework. TD-HNODE contains a learnable TD-Hypergraph Laplacian that captures the interdependency of disease complication markers within both intra- and inter-progression trajectories. Experiments on two real-world clinical datasets demonstrate that TD-HNODE outperforms multiple baselines in modeling the progression of type 2 diabetes and related cardiovascular diseases.
Authors: Fernando Salanova, Jes\'us Roche, Cristian Mahuela, Eduardo Montijano
Abstract: The reliable execution of high-level missions in multi-robot systems with heterogeneous agents, requires robust methods for detecting spurious behaviors. In this paper, we address the challenge of identifying spurious executions of plans specified as a Linear Temporal Logic (LTL) formula, as incorrect task sequences, violations of spatial constraints, timing inconsis- tencies, or deviations from intended mission semantics. To tackle this, we introduce a structured data generation framework based on the Nets-within-Nets (NWN) paradigm, which coordinates robot actions with LTL-derived global mission specifications. We further propose a Transformer-based anomaly detection pipeline that classifies robot trajectories as normal or anomalous. Experi- mental evaluations show that our method achieves high accuracy (91.3%) in identifying execution inefficiencies, and demonstrates robust detection capabilities for core mission violations (88.3%) and constraint-based adaptive anomalies (66.8%). An ablation experiment of the embedding and architecture was carried out, obtaining successful results where our novel proposition performs better than simpler representations.
Authors: Akihito Yoshii, Ryosuke Sonoda, Ramya Srinivasan
Abstract: Existing deepfake detection methods often exhibit bias, lack transparency, and fail to capture temporal information, leading to biased decisions and unreliable results across different demographic groups. In this paper, we propose a fairness-aware deepfake detection framework that integrates temporal feature learning and demographic-aware data augmentation to enhance fairness and interpretability. Our method leverages sequence-based clustering for temporal modeling of deepfake videos and concept extraction to improve detection reliability while also facilitating interpretable decisions for non-expert users. Additionally, we introduce a demography-aware data augmentation method that balances underrepresented groups and applies frequency-domain transformations to preserve deepfake artifacts, thereby mitigating bias and improving generalization. Extensive experiments on FaceForensics++, DFD, Celeb-DF, and DFDC datasets using state-of-the-art (SoTA) architectures (Xception, ResNet) demonstrate the efficacy of the proposed method in obtaining the best tradeoff between fairness and accuracy when compared to SoTA.
Authors: Marc Jourdan, Achraf Azize
Abstract: Best Arm Identification (BAI) algorithms are deployed in data-sensitive applications, such as adaptive clinical trials or user studies. Driven by the privacy concerns of these applications, we study the problem of fixed-confidence BAI under global Differential Privacy (DP) for Bernoulli distributions. While numerous asymptotically optimal BAI algorithms exist in the non-private setting, a significant gap remains between the best lower and upper bounds in the global DP setting. This work reduces this gap to a small multiplicative constant, for any privacy budget $\epsilon$. First, we provide a tighter lower bound on the expected sample complexity of any $\delta$-correct and $\epsilon$-global DP strategy. Our lower bound replaces the Kullback-Leibler (KL) divergence in the transportation cost used by the non-private characteristic time with a new information-theoretic quantity that optimally trades off between the KL divergence and the Total Variation distance scaled by $\epsilon$. Second, we introduce a stopping rule based on these transportation costs and a private estimator of the means computed using an arm-dependent geometric batching. En route to proving the correctness of our stopping rule, we derive concentration results of independent interest for the Laplace distribution and for the sum of Bernoulli and Laplace distributions. Third, we propose a Top Two sampling rule based on these transportation costs. For any budget $\epsilon$, we show an asymptotic upper bound on its expected sample complexity that matches our lower bound to a multiplicative constant smaller than $8$. Our algorithm outperforms existing $\delta$-correct and $\epsilon$-global DP BAI algorithms for different values of $\epsilon$.
Authors: Chenghao Zhang, Guanting Dong, Xinyu Yang, Zhicheng Dou
Abstract: Retrieval-Augmented Generation (RAG) has emerged as a powerful paradigm for enhancing large language models (LLMs) by retrieving relevant documents from an external corpus. However, existing RAG systems primarily focus on unimodal text documents, and often fall short in real-world scenarios where both queries and documents may contain mixed modalities (such as text and images). In this paper, we address the challenge of Universal Retrieval-Augmented Generation (URAG), which involves retrieving and reasoning over mixed-modal information to improve vision-language generation. To this end, we propose Nyx, a unified mixed-modal to mixed-modal retriever tailored for URAG scenarios. To mitigate the scarcity of realistic mixed-modal data, we introduce a four-stage automated pipeline for generation and filtering, leveraging web documents to construct NyxQA, a dataset comprising diverse mixed-modal question-answer pairs that better reflect real-world information needs. Building on this high-quality dataset, we adopt a two-stage training framework for Nyx: we first perform pre-training on NyxQA along with a variety of open-source retrieval datasets, followed by supervised fine-tuning using feedback from downstream vision-language models (VLMs) to align retrieval outputs with generative preferences. Experimental results demonstrate that Nyx not only performs competitively on standard text-only RAG benchmarks, but also excels in the more general and realistic URAG setting, significantly improving generation quality in vision-language tasks.
Authors: U. V. B. L Udugama, George Vosselman, Francesco Nex
Abstract: Deploying real-time spatial perception on edge devices requires efficient multi-task models that leverage complementary task information while minimizing computational overhead. This paper introduces Multi-Mono-Hydra (M2H), a novel multi-task learning framework designed for semantic segmentation and depth, edge, and surface normal estimation from a single monocular image. Unlike conventional approaches that rely on independent single-task models or shared encoder-decoder architectures, M2H introduces a Window-Based Cross-Task Attention Module that enables structured feature exchange while preserving task-specific details, improving prediction consistency across tasks. Built on a lightweight ViT-based DINOv2 backbone, M2H is optimized for real-time deployment and serves as the foundation for monocular spatial perception systems supporting 3D scene graph construction in dynamic environments. Comprehensive evaluations show that M2H outperforms state-of-the-art multi-task models on NYUDv2, surpasses single-task depth and semantic baselines on Hypersim, and achieves superior performance on the Cityscapes dataset, all while maintaining computational efficiency on laptop hardware. Beyond benchmarks, M2H is validated on real-world data, demonstrating its practicality in spatial perception tasks.
Authors: Vaggelis Dorovatas, Soroush Seifi, Gunshi Gupta, Rahaf Aljundi
Abstract: Video Large Language Models (Video-LLMs) excel at understanding videos in-context, provided they have full access to the video when answering queries. However, these models face challenges in streaming scenarios where hour-long videos must be processed online, and questions need timely responses. In this work, we propose a training-free approach compatible with standard Video-LLMs, leveraging three key concepts: 1) LLM-informed selection of visual tokens to identify those that the LLM has attended to and contributed to its understanding of each short clip. Our attention-based selection allows us to discard up to ~95% of unimportant visual tokens with minimal performance loss; 2) Recurrent processing of past selected tokens to generate temporally coherent understanding of each processed clip; 3) Caption-based question answering for lightweight and accurate responses. Our method achieves state-of-the-art performance on streaming video benchmarks, striking a balance between efficiency and effectiveness.
Authors: Haochen Su, Cristian Meo, Francesco Stella, Andrea Peirone, Kai Junge, Josie Hughes
Abstract: Robotic systems are increasingly expected to operate in human-centered, unstructured environments where safety, adaptability, and generalization are essential. Vision-Language-Action (VLA) models have been proposed as a language guided generalized control framework for real robots. However, their deployment has been limited to conventional serial link manipulators. Coupled by their rigidity and unpredictability of learning based control, the ability to safely interact with the environment is missing yet critical. In this work, we present the deployment of a VLA model on a soft continuum manipulator to demonstrate autonomous safe human-robot interaction. We present a structured finetuning and deployment pipeline evaluating two state-of-the-art VLA models (OpenVLA-OFT and $\pi_0$) across representative manipulation tasks, and show while out-of-the-box policies fail due to embodiment mismatch, through targeted finetuning the soft robot performs equally to the rigid counterpart. Our findings highlight the necessity of finetuning for bridging embodiment gaps, and demonstrate that coupling VLA models with soft robots enables safe and flexible embodied AI in human-shared environments.
Authors: Rishabh Jain, Keisuke Okumura, Michael Amir, Amanda Prorok
Abstract: Finding near-optimal solutions for dense multi-agent pathfinding (MAPF) problems in real-time remains challenging even for state-of-the-art planners. To this end, we develop a hybrid framework that integrates a learned heuristic derived from MAGAT, a neural MAPF policy with a graph attention scheme, into a leading search-based algorithm, LaCAM. While prior work has explored learning-guided search in MAPF, such methods have historically underperformed. In contrast, our approach, termed LaGAT, outperforms both purely search-based and purely learning-based methods in dense scenarios. This is achieved through an enhanced MAGAT architecture, a pre-train-then-fine-tune strategy on maps of interest, and a deadlock detection scheme to account for imperfect neural guidance. Our results demonstrate that, when carefully designed, hybrid search offers a powerful solution for tightly coupled, challenging multi-agent coordination problems.
Authors: Jiacheng Xie, Shuai Zeng, Yang Yu, Xiaoting Tang, Guanghui An, Dong Xu
Abstract: Traditional Chinese Medicine (TCM) presents a rich and structurally unique knowledge system that challenges conventional applications of large language models (LLMs). Although previous TCM-specific LLMs have shown progress through supervised fine-tuning, they often face limitations in alignment, data quality, and evaluation consistency. In this study, we introduce Ladder-base, the first TCM-focused LLM trained with Group Relative Policy Optimization (GRPO), a reinforcement learning method that improves reasoning and factual consistency by optimizing response selection based on intra-group comparisons. Ladder-base is built upon the Qwen2.5-7B-Instruct foundation model and trained exclusively on the textual subset of the TCM-Ladder benchmark, using 80 percent of the data for training and the remaining 20 percent split evenly between validation and test sets. Through standardized evaluation, Ladder-base demonstrates superior performance across multiple reasoning metrics when compared to both state-of-the-art general-purpose LLMs such as GPT-4, Gemini 2.5, Claude 3, and Qwen3 and domain-specific TCM models including BenTsao, HuatuoGPT2, and Zhongjing. These findings suggest that GRPO provides an effective and efficient strategy for aligning LLMs with expert-level reasoning in traditional medical domains and supports the development of trustworthy and clinically grounded TCM artificial intelligence systems.
Authors: Aditi Dutta
Abstract: Addressing climate change effectively requires more than cataloguing the number of policies in place; it calls for tools that can reveal their thematic priorities and their tangible impacts on development outcomes. Existing assessments often rely on qualitative descriptions or composite indices, which can mask crucial differences between key domains such as mitigation, adaptation, disaster risk management, and loss and damage. To bridge this gap, we develop a quantitative indicator of climate policy orientation by applying a multilingual transformer-based language model to official national policy documents, achieving a classification accuracy of 0.90 (F1-score). Linking these indicators with World Bank development data in panel regressions reveals that mitigation policies are associated with higher GDP and GNI; disaster risk management correlates with greater GNI and debt but reduced foreign direct investment; adaptation and loss and damage show limited measurable effects. This integrated NLP-econometric framework enables comparable, theme-specific analysis of climate governance, offering a scalable method to monitor progress, evaluate trade-offs, and align policy emphasis with development goals.
Authors: Tiancheng Hu, Benjamin Minixhofer, Nigel Collier
Abstract: The "alignment tax" of post-training is typically framed as a drop in task accuracy. We show it also involves a severe loss of calibration, making models overconfident, less reliable, and model outputs less diverse. We show that this trade-off can be navigated effectively via a simple post-hoc intervention: interpolating between a model's weights before and after alignment. Crucially, this is not a strict trade-off. We find that the process consistently reveals Pareto-optimal interpolations - models that improve accuracy beyond both parents while substantially recovering the calibration lost during alignment. Our work demonstrates that simple model merging provides a computationally efficient method for mitigating the full scope of the alignment tax, yielding models that are more capable and more reliable.
Authors: Zhengshen Zhang, Hao Li, Yalun Dai, Zhengbang Zhu, Lei Zhou, Chenchen Liu, Dong Wang, Francis E. H. Tay, Sijin Chen, Ziwei Liu, Yuxiao Liu, Xinghang Li, Pan Zhou
Abstract: Existing vision-language-action (VLA) models act in 3D real-world but are typically built on 2D encoders, leaving a spatial reasoning gap that limits generalization and adaptability. Recent 3D integration techniques for VLAs either require specialized sensors and transfer poorly across modalities, or inject weak cues that lack geometry and degrade vision-language alignment. In this work, we introduce FALCON (From Spatial to Action), a novel paradigm that injects rich 3D spatial tokens into the action head. FALCON leverages spatial foundation models to deliver strong geometric priors from RGB alone, and includes an Embodied Spatial Model that can optionally fuse depth, or pose for higher fidelity when available, without retraining or architectural changes. To preserve language reasoning, spatial tokens are consumed by a Spatial-Enhanced Action Head rather than being concatenated into the vision-language backbone. These designs enable FALCON to address limitations in spatial representation, modality transferability, and alignment. In comprehensive evaluations across three simulation benchmarks and eleven real-world tasks, our proposed FALCON achieves state-of-the-art performance, consistently surpasses competitive baselines, and remains robust under clutter, spatial-prompt conditioning, and variations in object scale and height.
Authors: Florent Foucaud, Harmender Gahlawat, Fionn Mc Inerney, Prafullkumar Tale
Abstract: The VC-dimension is a fundamental and well-studied measure of the complexity of a set system (or hypergraph) that is central to many areas of machine learning. We establish several new results on the complexity of computing the VC-dimension. In particular, given a hypergraph $\mathcal{H}=(\mathcal{V},\mathcal{E})$, we prove that the naive $2^{\mathcal{O}(|\mathcal{V}|)}$-time algorithm is asymptotically tight under the Exponential Time Hypothesis (ETH). We then prove that the problem admits a 1-additive fixed-parameter approximation algorithm when parameterized by the maximum degree of $\mathcal{H}$ and a fixed-parameter algorithm when parameterized by its dimension, and that these are essentially the only such exploitable structural parameters. Lastly, we consider a generalization of the problem, formulated using graphs, which captures the VC-dimension of both set systems and graphs. We show that it is fixed-parameter tractable parameterized by the treewidth of the graph (which, in the case of set systems, applies to the treewidth of its incidence graph). In contrast with closely related problems whose dependency on the treewidth is necessarily double-exponential (assuming the ETH), our algorithm has a relatively low dependency on the treewidth.
Authors: Bo Liang, Hanlin Song, Chang Liu, Tianyu Zhao, Yuxiang Xu, Zihao Xiao, Manjia Liang, Minghui Du, Wei-Liang Qian, Li-e Qiang, Peng Xu, Ziren Luo
Abstract: In this work, we propose a new flow-matching Markov chain Monte Carlo (FM-MCMC) algorithm for estimating the orbital parameters of exoplanetary systems, especially for those only one exoplanet is involved. Compared to traditional methods that rely on random sampling within the Bayesian framework, our approach first leverages flow matching posterior estimation (FMPE) to efficiently constrain the prior range of physical parameters, and then employs MCMC to accurately infer the posterior distribution. For example, in the orbital parameter inference of beta Pictoris b, our model achieved a substantial speed-up while maintaining comparable accuracy-running 77.8 times faster than Parallel Tempered MCMC (PTMCMC) and 365.4 times faster than nested sampling. Moreover, our FM-MCMC method also attained the highest average log-likelihood among all approaches, demonstrating its superior sampling efficiency and accuracy. This highlights the scalability and efficiency of our approach, making it well-suited for processing the massive datasets expected from future exoplanet surveys. Beyond astrophysics, our methodology establishes a versatile paradigm for synergizing deep generative models with traditional sampling, which can be adopted to tackle complex inference problems in other fields, such as cosmology, biomedical imaging, and particle physics.
Authors: Paula Cordero-Encinar, Andrew B. Duncan
Abstract: Recent advances such as self-consistency and test-time reinforcement learning (TTRL) improve the reliability of large language models (LLMs) without additional supervision, yet their underlying mechanisms and statistical guarantees remain poorly understood. We present a unified framework for certifiable inference in LLMs, showing that majority voting provides a statistical certificate of self-consistency: under mild assumptions, the aggregated answer coincides with the mode of the model's terminal distribution with high probability. We derive finite-sample and anytime-valid concentration bounds that quantify this confidence, and introduce the Martingale Majority Certificate (MMC), a sequential stopping rule that adaptively determines when sufficient samples have been drawn. We further prove that label-free post-training methods such as TTRL implicitly sharpen the answer distribution by exponentially tilting it toward its mode, thereby reducing the number of samples required for certification. Building on this insight, we propose new post-training objectives that explicitly optimise this trade-off between sharpness and bias. Together, these results explain and connect two central test-time scaling strategies, self-consistency and TTRL, within a single statistical framework for label-free, certifiable reliability in reasoning LLMs.
Authors: Yongxin He, Shan Zhang, Yixuan Cao, Lei Ma, Ping Luo
Abstract: Detecting AI-involved text is essential for combating misinformation, plagiarism, and academic misconduct. However, AI text generation includes diverse collaborative processes (AI-written text edited by humans, human-written text edited by AI, and AI-generated text refined by other AI), where various or even new LLMs could be involved. Texts generated through these varied processes exhibit complex characteristics, presenting significant challenges for detection. Current methods model these processes rather crudely, primarily employing binary classification (purely human vs. AI-involved) or multi-classification (treating human-AI collaboration as a new class). We observe that representations of texts generated through different processes exhibit inherent clustering relationships. Therefore, we propose DETree, a novel approach that models the relationships among different processes as a Hierarchical Affinity Tree structure, and introduces a specialized loss function that aligns text representations with this tree. To facilitate this learning, we developed RealBench, a comprehensive benchmark dataset that automatically incorporates a wide spectrum of hybrid texts produced through various human-AI collaboration processes. Our method improves performance in hybrid text detection tasks and significantly enhances robustness and generalization in out-of-distribution scenarios, particularly in few-shot learning conditions, further demonstrating the promise of training-based approaches in OOD settings. Our code and dataset are available at https://github.com/heyongxin233/DETree.
Authors: Kosta Pavlovi\'c, Lazar Stanarevi\'c, Petar Nedi\'c, Slavko Kova\v{c}evi\'c, Igor Djurovi\'c
Abstract: Prevailing practice in learning-based audio watermarking is to pursue robustness by expanding the set of simulated distortions during training. However, such surrogates are narrow and prone to overfitting. This paper presents AWARE (Audio Watermarking with Adversarial Resistance to Edits), an alternative approach that avoids reliance on attack-simulation stacks and handcrafted differentiable distortions. Embedding is obtained via adversarial optimization in the time-frequency domain under a level-proportional perceptual budget. Detection employs a time-order-agnostic detector with a Bitwise Readout Head (BRH) that aggregates temporal evidence into one score per watermark bit, enabling reliable watermark decoding even under desynchronization and temporal cuts. Empirically, AWARE attains high audio quality and speech intelligibility (PESQ/STOI) and consistently low BER across various audio edits, often surpassing representative state-of-the-art learning-based audio watermarking systems.
Authors: Tiancheng Hu, Joachim Baumann, Lorenzo Lupo, Dirk Hovy, Nigel Collier, Paul R\"ottger
Abstract: Large language model (LLM) simulations of human behavior have the potential to revolutionize the social and behavioral sciences, if and only if they faithfully reflect real human behaviors. Current evaluations are fragmented, based on bespoke tasks and metrics, creating a patchwork of incomparable results. To address this, we introduce SimBench, the first large-scale, standardized benchmark for a robust, reproducible science of LLM simulation. By unifying 20 diverse datasets covering tasks from moral decision-making to economic choice across a large global participant pool, SimBench provides the necessary foundation to ask fundamental questions about when, how, and why LLM simulations succeed or fail. We show that, while even the best LLMs today have limited simulation ability (score: 40.80/100), performance scales log-linearly with model size. Simulation performance is not improved by increased inference-time compute. We demonstrate an alignment-simulation trade-off: instruction-tuning improves performance on low-entropy (consensus) questions but degrades it on high-entropy (diverse) ones. Models particularly struggle when simulating specific demographic groups. Finally, we demonstrate that simulation ability correlates most strongly with deep, knowledge-intensive reasoning (MMLU-Pro, r=0.939). By making progress measurable, we aim to accelerate the development of more faithful LLM simulators.
Authors: Yovin Yahathugoda, Davide Prezzi, Piyalitt Ittichaiwong, Vicky Goh, Sebastien Ourselin, Michela Antonelli
Abstract: Active Surveillance (AS) is a treatment option for managing low and intermediate-risk prostate cancer (PCa), aiming to avoid overtreatment while monitoring disease progression through serial MRI and clinical follow-up. Accurate prostate segmentation is an important preliminary step for automating this process, enabling automated detection and diagnosis of PCa. However, existing deep-learning segmentation models are often trained on single-time-point and expertly annotated datasets, making them unsuitable for longitudinal AS analysis, where multiple time points and a scarcity of expert labels hinder their effective fine-tuning. To address these challenges, we propose MambaX-Net, a novel semi-supervised, dual-scan 3D segmentation architecture that computes the segmentation for time point t by leveraging the MRI and the corresponding segmentation mask from the previous time point. We introduce two new components: (i) a Mamba-enhanced Cross-Attention Module, which integrates the Mamba block into cross attention to efficiently capture temporal evolution and long-range spatial dependencies, and (ii) a Shape Extractor Module that encodes the previous segmentation mask into a latent anatomical representation for refined zone delination. Moreover, we introduce a semi-supervised self-training strategy that leverages pseudo-labels generated from a pre-trained nnU-Net, enabling effective learning without expert annotations. MambaX-Net was evaluated on a longitudinal AS dataset, and results showed that it significantly outperforms state-of-the-art U-Net and Transformer-based models, achieving superior prostate zone segmentation even when trained on limited and noisy data.
Authors: Niannian Wu, Rongpeng Li, Zongyu Yang, Yong Xiao, Ning Wei, Yihang Chen, Bo Li, Zhifeng Zhao, Wulyu Zhong
Abstract: Traditional PID controllers have limited adaptability for plasma shape control, and task-specific reinforcement learning (RL) methods suffer from limited generalization and the need for repetitive retraining. To overcome these challenges, this paper proposes a novel framework for developing a versatile, zero-shot control policy from a large-scale offline dataset of historical PID-controlled discharges. Our approach synergistically combines Generative Adversarial Imitation Learning (GAIL) with Hilbert space representation learning to achieve dual objectives: mimicking the stable operational style of the PID data and constructing a geometrically structured latent space for efficient, goal-directed control. The resulting foundation policy can be deployed for diverse trajectory tracking tasks in a zero-shot manner without any task-specific fine-tuning. Evaluations on the HL-3 tokamak simulator demonstrate that the policy excels at precisely and stably tracking reference trajectories for key shape parameters across a range of plasma scenarios. This work presents a viable pathway toward developing highly flexible and data-efficient intelligent control systems for future fusion reactors.
Authors: Raghu Vamshi Hemadri, Geetha Krishna Guruju, Kristi Topollai, Anna Ewa Choromanska
Abstract: Predicting cancer treatment outcomes requires models that are both accurate and interpretable, particularly in the presence of heterogeneous clinical data. While large language models (LLMs) have shown strong performance in biomedical NLP, they often lack structured reasoning capabilities critical for high-stakes decision support. We present a unified, multi-task learning framework that aligns autoregressive LLMs with clinical reasoning for outcome prediction on the MSK-CHORD dataset. Our models are trained to jointly perform binary survival classification, continuous survival time regression, and natural language rationale generation. We evaluate three alignment strategies: (1) standard supervised fine-tuning (SFT), (2) SFT with Chain-of-Thought (CoT) prompting to elicit step-by-step reasoning, and (3) Group Relative Policy Optimization (GRPO), a reinforcement learning method that aligns model outputs to expert-derived reasoning trajectories. Experiments with LLaMa3-8B and Med42-8B backbones demonstrate that CoT prompting improves F1 by +6.0 and reduces MAE by 12%, while GRPO achieves state-of-the-art interpretability and predictive performance across BLEU, ROUGE, and BERTScore. We further show that existing biomedical LLMs often fail to produce valid reasoning traces due to architectural constraints. Our findings underscore the importance of reasoning-aware alignment in multi-task clinical modeling and set a new benchmark for interpretable, trustworthy LLMs in precision oncology.
Authors: Mir Nafis Sharear Shopnil, Sharad Duwal, Abhishek Tyagi, Adiba Mahbub Proma
Abstract: Misinformation spreads across web platforms through billions of daily multimodal posts that combine text and images, overwhelming manual fact-checking capacity. Supervised detection models require domain-specific training data and fail to generalize across diverse manipulation tactics. We present MIRAGE, an inference-time, model-pluggable agentic framework that decomposes multimodal verification into four sequential modules: visual veracity assessment detects AI-generated images, cross-modal consistency analysis identifies out-of-context repurposing, retrieval-augmented factual checking grounds claims in web evidence through iterative question generation, and a calibrated judgment module integrates all signals. MIRAGE orchestrates vision-language model reasoning with targeted web retrieval, outputs structured and citation-linked rationales. On MMFakeBench validation set (1,000 samples), MIRAGE with GPT-4o-mini achieves 81.65% F1 and 75.1% accuracy, outperforming the strongest zero-shot baseline (GPT-4V with MMD-Agent at 74.0% F1) by 7.65 points while maintaining 34.3% false positive rate versus 97.3% for a judge-only baseline. Test set results (5,000 samples) confirm generalization with 81.44% F1 and 75.08% accuracy. Ablation studies show visual verification contributes 5.18 F1 points and retrieval-augmented reasoning contributes 2.97 points. Our results demonstrate that decomposed agentic reasoning with web retrieval can match supervised detector performance without domain-specific training, enabling misinformation detection across modalities where labeled data remains scarce.
Authors: Guang Yang, Yujie Zhu
Abstract: Pre-trained language models (PLMs) are increasingly being applied to code-related tasks. Although PLMs have achieved good results, they do not take into account potential high-order data correlations within the code. We propose three types of high-order correlations in code tokens, i.e. abstract syntax tree family correlation, lexical correlation, and line correlation. We design a tokens and hyperedges generator to capture these high-order data correlations. We improve the architecture of hypergraph neural networks and combine it with adapter tuning to propose a novel hypergraph-based adapter (HGAdapter) to fine-tune PLMs. HGAdapter can encode high-order data correlations and is allowed to be inserted into various PLMs to enhance performance. Experiments were conducted on several public datasets, including six languages of code summarization and code clone detection tasks. Our methods improved the performance of PLMs in datasets to varying degrees. Experimental results validate the introduction of high-order data correlations that contribute to improved effectiveness.
Authors: Amir Jalilifard, Anderson de Rezende Rocha, Marcos Medeiros Raimundo
Abstract: Effective code generation with language models hinges on two critical factors: accurately understanding the intent of the prompt and generating code that applies algorithmic reasoning to produce correct solutions capable of passing diverse test cases while adhering to the syntax of the target programming language. Unlike other language tasks, code generation requires more than accurate token prediction; it demands comprehension of solution-level and structural relationships rather than merely generating the most likely tokens. very large language model (VLLM) are capable of generating detailed steps toward the correct solution of complex tasks where reasoning is crucial in solving the problem. Such reasoning capabilities may be absent in smaller language models. Therefore, in this work, we distill the reasoning capabilities of a VLLM into a smaller, more efficient model that is faster and cheaper to deploy. Our approach trains the model to emulate the reasoning and problem-solving abilities of the VLLM by learning to identify correct solution pathways and establishing a structural correspondence between problem definitions and potential solutions through a novel method of structure-aware loss optimization. This enables the model to transcend token-level generation and to deeply grasp the overarching structure of solutions for given problems. Experimental results show that our fine-tuned model, developed through a cheap and simple to implement process, significantly outperforms our baseline model in terms of pass@1, average data flow, and average syntax match metrics across the MBPP, MBPP Plus, and HumanEval benchmarks.
Authors: Gitte Kremling, Francesco Iafrate, Mahsa Taheri, Johannes Lederer
Abstract: Score-based generative modeling, implemented through probability flow ODEs, has shown impressive results in numerous practical settings. However, most convergence guarantees rely on restrictive regularity assumptions on the target distribution -- such as strong log-concavity or bounded support. This work establishes non-asymptotic convergence bounds in the 2-Wasserstein distance for a general class of probability flow ODEs under considerably weaker assumptions: weak log-concavity and Lipschitz continuity of the score function. Our framework accommodates non-log-concave distributions, such as Gaussian mixtures, and explicitly accounts for initialization errors, score approximation errors, and effects of discretization via an exponential integrator scheme. Bridging a key theoretical challenge in diffusion-based generative modeling, our results extend convergence theory to more realistic data distributions and practical ODE solvers. We provide concrete guarantees for the efficiency and correctness of the sampling algorithm, complementing the empirical success of diffusion models with rigorous theory. Moreover, from a practical perspective, our explicit rates might be helpful in choosing hyperparameters, such as the step size in the discretization.
Authors: Hongyi Duan, Haoyang Liu, Jian'an Zhang, Fengrui Liu, Yiyi Wang
Abstract: We present a JIT PL semantics for ReLU-type networks that compiles models into a guarded CPWL transducer with shared guards. The system adds hyperplanes only when operands are affine on the current cell, maintains global lower/upper envelopes, and uses a budgeted branch-and-bound. We obtain anytime soundness, exactness on fully refined cells, monotone progress, guard-linear complexity (avoiding global $\binom{k}{2}$), dominance pruning, and decidability under finite refinement. The shared carrier supports region extraction, decision complexes, Jacobians, exact/certified Lipschitz, LP/SOCP robustness, and maximal causal influence. A minimal prototype returns certificates or counterexamples with cost proportional to visited subdomains.
Authors: Qingchuan Yang, Simon Mahns, Sida Li, Anri Gu, Jibang Wu, Haifeng Xu
Abstract: Forecasting is not only a fundamental intellectual pursuit but also is of significant importance to societal systems such as finance and economics. With the rapid advances of large language models (LLMs) trained on Internet-scale data, it raises the promise of employing LLMs to forecast real-world future events, an emerging paradigm we call "LLM-as-a-Prophet". This paper systematically investigates such predictive intelligence of LLMs. To this end, we build Prophet Arena, a general evaluation benchmark that continuously collects live forecasting tasks and decomposes each task into distinct pipeline stages, in order to support our controlled and large-scale experimentation. Our comprehensive evaluation reveals that many LLMs already exhibit impressive forecasting capabilities, reflected in, e.g., their small calibration errors, consistent prediction confidence and promising market returns. However, we also uncover key bottlenecks towards achieving superior predictive intelligence via LLM-as-a-Prophet, such as LLMs' inaccurate event recalls, misunderstanding of data sources and slower information aggregation compared to markets when resolution nears.
Authors: Yuquan Xue, Guanxing Lu, Zhenyu Wu, Chuanrui Zhang, Bofang Jia, Zhengyi Gu, Yansong Tang, Ziwei Wang
Abstract: Vision-Language-Action models (VLAs) have demonstrated remarkable performance on complex robotic manipulation tasks through imitation learning. However, existing imitation learning datasets contain only successful trajectories and lack failure or recovery data, especially for out-of-distribution (OOD) states where the robot deviates from the main policy due to minor perturbations or errors, leading VLA models to struggle with states deviating from the training distribution. To this end, we propose an automated OOD data augmentation framework named RESample through exploratory sampling. Specifically, we first leverage offline reinforcement learning to obtain an action-value network that accurately identifies sub-optimal actions under the current manipulation policy. We further sample potential OOD states from trajectories via rollout, and design an exploratory sampling mechanism that adaptively incorporates these action proxies into the training dataset to ensure efficiency. Subsequently, our framework explicitly encourages the VLAs to recover from OOD states and enhances their robustness against distributional shifts. We conduct extensive experiments on the LIBERO benchmark as well as real-world robotic manipulation tasks, demonstrating that RESample consistently improves the stability and generalization ability of VLA models.
Authors: Siva Sai, Abhishek Sawaika, Prabhjot Singh, Rajkumar Buyya
Abstract: Federated learning (FL) focuses on collaborative model training without the need to move the private data silos to a central server. Despite its several benefits, the classical FL is plagued with several limitations, such as high computational power required for model training(which is critical for low-resource clients), privacy risks, large update traffic, and non-IID heterogeneity. This chapter surveys a hybrid paradigm - Quantum Federated Learning (QFL), which introduces quantum computation, that addresses multiple challenges of classical FL and offers rapid computing capability while keeping the classical orchestration intact. Firstly, we motivate QFL with a concrete presentation on pain points of classical FL, followed by a discussion on a general architecture of QFL frameworks specifying the roles of client and server, communication primitives and the quantum model placement. We classify the existing QFL systems based on four criteria - quantum architecture (pure QFL, hybrid QFL), data processing method (quantum data encoding, quantum feature mapping, and quantum feature selection & dimensionality reduction), network topology (centralized, hierarchial, decentralized), and quantum security mechanisms (quantum key distribution, quantum homomorphic encryption, quantum differential privacy, blind quantum computing). We then describe applications of QFL in healthcare, vehicular networks, wireless networks, and network security, clearly highlighting where QFL improves communication efficiency, security, and performance compared to classical FL. We close with multiple challenges and future works in QFL, including extension of QFL beyond classification tasks, adversarial attacks, realistic hardware deployment, quantum communication protocols deployment, aggregation of different quantum models, and quantum split learning as an alternative to QFL.
Authors: S\'ebastien Thuau, Siba Haidar, Ayush Bajracharya, Rachid Chelouah
Abstract: We examine frugal federated learning approaches to violence detection by comparing two complementary strategies: (i) zero-shot and federated fine-tuning of vision-language models (VLMs), and (ii) personalized training of a compact 3D convolutional neural network (CNN3D). Using LLaVA-7B and a 65.8M parameter CNN3D as representative cases, we evaluate accuracy, calibration, and energy usage under realistic non-IID settings. Both approaches exceed 90% accuracy. CNN3D slightly outperforms Low-Rank Adaptation(LoRA)-tuned VLMs in ROC AUC and log loss, while using less energy. VLMs remain favorable for contextual reasoning and multimodal inference. We quantify energy and CO$_2$ emissions across training and inference, and analyze sustainability trade-offs for deployment. To our knowledge, this is the first comparative study of LoRA-tuned vision-language models and personalized CNNs for federated violence detection, with an emphasis on energy efficiency and environmental metrics. These findings support a hybrid model: lightweight CNNs for routine classification, with selective VLM activation for complex or descriptive scenarios. The resulting framework offers a reproducible baseline for responsible, resource-aware AI in video surveillance, with extensions toward real-time, multimodal, and lifecycle-aware systems.
Authors: Shawn M. Gibford, Mohammad Reza Boskabadi, Christopher J. Savoie, Seyed Soheil Mansouri
Abstract: Data scarcity and sparsity in bio-manufacturing poses challenges for accurate model development, process monitoring, and optimization. We aim to replicate and capture the complex dynamics of industrial bioprocesses by proposing the use of a Quantum Wasserstein Generative Adversarial Network with Gradient Penalty (QWGAN-GP) to generate synthetic time series data for industrially relevant processes. The generator within our GAN is comprised of a Parameterized Quantum Circuit (PQC). This methodology offers potential advantages in process monitoring, modeling, forecasting, and optimization, enabling more efficient bioprocess management by reducing the dependence on scarce experimental data. Our results demonstrate acceptable performance in capturing the temporal dynamics of real bioprocess data. We focus on Optical Density, a key measurement for Dry Biomass estimation. The data generated showed high fidelity to the actual historical experimental data. This intersection of quantum computing and machine learning has opened new frontiers in data analysis and generation, particularly in computationally intensive fields, for use cases such as increasing prediction accuracy for soft sensor design or for use in predictive control.
Authors: Anjie Liu, Jianhong Wang, Samuel Kaski, Jun Wang, Mengyue Yang
Abstract: Steering cooperative multi-agent reinforcement learning (MARL) towards desired outcomes is challenging, particularly when the global guidance from a human on the whole multi-agent system is impractical in a large-scale MARL. On the other hand, designing mechanisms to coordinate agents most relies on empirical studies, lacking a easy-to-use research tool. In this work, we employ multi-agent influence diagrams (MAIDs) as a graphical framework to address the above issues. First, we introduce interaction paradigms that leverage MAIDs to analyze and visualize existing approaches in MARL. Then, we design a new interaction paradigm based on MAIDs, referred to as targeted intervention that is applied to only a single targeted agent, so the problem of global guidance can be mitigated. In our implementation, we introduce a causal inference technique-referred to as Pre-Strategy Intervention (PSI)-to realize the targeted intervention paradigm. Since MAIDs can be regarded as a special class of causal diagrams, a composite desired outcome that integrates the primary task goal and an additional desired outcome can be achieved by maximizing the corresponding causal effect through the PSI. Moreover, the bundled relevance graph analysis of MAIDs provides a tool to identify whether an MARL learning paradigm is workable under the design of an interaction paradigm. In experiments, we demonstrate the effectiveness of our proposed targeted intervention, and verify the result of relevance graph analysis.
Authors: Aleksandr Oganov, Ilya Bykov, Eva Neudachina, Mishan Aliev, Alexander Tolmachev, Alexander Sidorov, Aleksandr Zuev, Andrey Okhotin, Denis Rakitin, Aibek Alanov
Abstract: While diffusion models achieve state-of-the-art generation quality, they still suffer from computationally expensive sampling. Recent works address this issue with gradient-based optimization methods that distill a few-step ODE diffusion solver from the full sampling process, reducing the number of function evaluations from dozens to just a few. However, these approaches often rely on intricate training techniques and do not explicitly focus on preserving fine-grained details. In this paper, we introduce the Generalized Solver: a simple parameterization of the ODE sampler that does not require additional training tricks and improves quality over existing approaches. We further combine the original distillation loss with adversarial training, which mitigates artifacts and enhances detail fidelity. We call the resulting method the Generalized Adversarial Solver and demonstrate its superior performance compared to existing solver training methods under similar resource constraints. Code is available at https://github.com/3145tttt/GAS.
Authors: Atticus McWhorter, Daryl DeFord
Abstract: Novel Markov Chain Monte Carlo (MCMC) methods have enabled the generation of large ensembles of redistricting plans through graph partitioning. However, existing algorithms such as Reversible Recombination (RevReCom) and Metropolized Forest Recombination (MFR) are constrained to sampling from distributions related to spanning trees. We introduce the marked edge walk (MEW), a novel MCMC algorithm for sampling from the space of graph partitions under a tunable distribution. The walk operates on the space of spanning trees with marked edges, allowing for calculable transition probabilities for use in the Metropolis-Hastings algorithm. Empirical results on real-world dual graphs show convergence under target distributions unrelated to spanning trees. For this reason, MEW represents an advancement in flexible ensemble generation.
Authors: Haozhen Zhang, Tao Feng, Pengrui Han, Jiaxuan You
Abstract: Large Language Models (LLMs) have recently achieved remarkable performance in long-context understanding. However, current long-context LLM benchmarks are limited by rigid context length, labor-intensive annotation, and the pressing challenge of label leakage issues during LLM training. Therefore, we propose \textsc{AcademicEval}, a live benchmark for evaluating LLMs over long-context generation tasks. \textsc{AcademicEval} adopts papers on arXiv to introduce several academic writing tasks with long-context inputs, \textit{i.e.}, \textsc{Title}, \textsc{Abstract}, \textsc{Introduction}, and \textsc{Related Work}, which cover a wide range of abstraction levels and require no manual labeling. Moreover, \textsc{AcademicEval} integrates high-quality and expert-curated few-shot demonstrations from a collected co-author graph to enable flexible context length. Especially, \textsc{AcademicEval} features an efficient live evaluation, ensuring no label leakage. We conduct a holistic evaluation on \textsc{AcademicEval}, and the results illustrate that LLMs perform poorly on tasks with hierarchical abstraction levels and tend to struggle with long few-shot demonstrations, highlighting the challenge of our benchmark. Through experimental analysis, we also reveal some insights for enhancing LLMs' long-context modeling capabilities. Code is available at https://github.com/ulab-uiuc/AcademicEval
Authors: Tong Chen, Akari Asai, Luke Zettlemoyer, Hannaneh Hajishirzi, Faeze Brahman
Abstract: Language models often generate factually incorrect information unsupported by their training data, a phenomenon known as extrinsic hallucination. Existing mitigation approaches often degrade performance on open-ended generation and downstream tasks, limiting their practical utility. We propose an online reinforcement learning method using a novel binary retrieval-augmented reward (RAR) to address this tradeoff. Unlike continuous reward schemes, our approach assigns a reward of one only when the model's output is entirely factually correct, and zero otherwise. We evaluate our method on Qwen3 reasoning models across diverse tasks. For open-ended generation, binary RAR achieves a 39.3% reduction in hallucination rates, substantially outperforming both supervised training and continuous-reward RL baselines. In short-form question answering, the model learns calibrated abstention, strategically outputting "I don't know" when faced with insufficient parametric knowledge. This yields 44.4% and 21.7% fewer incorrect answers on PopQA and GPQA, respectively. Crucially, these factuality gains come without performance degradation on instruction following, math, or code, whereas continuous-reward RL, despite improving factuality, induces quality regressions.
Authors: Navjot Singh, Edgar Solomonik, Xiaoye Sherry Li, Yang Liu
Abstract: This paper presents low-complexity tensor completion algorithms and their efficient implementation to reconstruct highly oscillatory operators discretized as $n\times n$ matrices. The underlying tensor decomposition is based on the reshaping of the input matrix and its butterfly decomposition into an order $\mathcal{O} (\log n)$ tensor. The reshaping of the input matrix into a tensor allows for representation of the butterfly decomposition as a tensor decomposition with dense tensors. This leads to efficient utilization of the existing software infrastructure for dense and sparse tensor computations. We propose two tensor completion algorithms in the butterfly format, using alternating least squares and gradient-based optimization, as well as a novel strategy that uses low-rank matrix completion to efficiently generate an initial guess for the proposed algorithms. To demonstrate the efficiency and applicability of our proposed algorithms, we perform three numerical experiments using simulated oscillatory operators in seismic applications. In these experiments, we use $\mathcal {O} (n \log n)$ observed entries in the input matrix and demonstrate an $\mathcal{O}(n\log^3 n)$ computational cost of the proposed algorithms, leading to a speedup of orders of magnitudes per iteration for large matrices compared to the low-rank matrix and quantized tensor-train completion. Moreover, the proposed butterfly completion algorithms, equipped with the novel initial guess generation strategy, achieve reconstruction errors that are smaller by an order of magnitude, enabling accurate recovery of the underlying structure compared to the state-of-the-art completion algorithms.
Authors: Qilin Liao, Anamika Lochab, Ruqi Zhang
Abstract: Vision-Language Models (VLMs) extend large language models with visual reasoning, but their multimodal design also introduces new, underexplored vulnerabilities. Existing multimodal red-teaming methods largely rely on brittle templates, focus on single-attack settings, and expose only a narrow subset of vulnerabilities. To address these limitations, we introduce VERA-V, a variational inference framework that recasts multimodal jailbreak discovery as learning a joint posterior distribution over paired text-image prompts. This probabilistic view enables the generation of stealthy, coupled adversarial inputs that bypass model guardrails. We train a lightweight attacker to approximate the posterior, allowing efficient sampling of diverse jailbreaks and providing distributional insights into vulnerabilities. VERA-V further integrates three complementary strategies: (i) typography-based text prompts that embed harmful cues, (ii) diffusion-based image synthesis that introduces adversarial signals, and (iii) structured distractors to fragment VLM attention. Experiments on HarmBench and HADES benchmarks show that VERA-V consistently outperforms state-of-the-art baselines on both open-source and frontier VLMs, achieving up to 53.75% higher attack success rate (ASR) over the best baseline on GPT-4o.
Authors: Gabriel B. Margolis, Michelle Wang, Nolan Fey, Pulkit Agrawal
Abstract: We introduce SoftMimic, a framework for learning compliant whole-body control policies for humanoid robots from example motions. Imitating human motions with reinforcement learning allows humanoids to quickly learn new skills, but existing methods incentivize stiff control that aggressively corrects deviations from a reference motion, leading to brittle and unsafe behavior when the robot encounters unexpected contacts. In contrast, SoftMimic enables robots to respond compliantly to external forces while maintaining balance and posture. Our approach leverages an inverse kinematics solver to generate an augmented dataset of feasible compliant motions, which we use to train a reinforcement learning policy. By rewarding the policy for matching compliant responses rather than rigidly tracking the reference motion, SoftMimic learns to absorb disturbances and generalize to varied tasks from a single motion clip. We validate our method through simulations and real-world experiments, demonstrating safe and effective interaction with the environment.
Authors: Austin Xu, Xuan-Phi Nguyen, Yilun Zhou, Chien-Sheng Wu, Caiming Xiong, Shafiq Joty
Abstract: Finetuning specialized generative evaluators has emerged as a popular paradigm to meet the increasing demand for scalable evaluation during both training and test-time. However, recent work has largely focused on applying new methodology, such as reinforcement learning (RL), to training evaluators, shying away from large-scale, data-driven development. In this work, we focus on data scaling, curating a set of 2.5M samples spanning five unique evaluation tasks (pairwise, step-level, reference-free and reference-based verification, and single rating) and multiple domains focused on reasoning evaluation. With our data, we train Foundational Automatic Reasoning Evaluators (FARE), a family of 8B and 20B (with 3.6B active) parameter evaluators, with a simple iterative rejection-sampling supervised finetuning (SFT) approach. FARE-8B challenges larger specialized RL-trained evaluators and FARE-20B sets the new standard for open-source evaluators, surpassing specialized 70B+ evaluators. Beyond static benchmarks, we evaluate FARE in real-world tasks: As inference-time rerankers, FARE-20B achieves near-oracle performance on MATH. As verifiers in RL training, FARE improves the downstream RL-trained model performance by up to 14.1% vs. string-matching verifiers. When initialized from FARE, a continually-finetuned FARE-Code outperforms gpt-oss-20B by 65% on evaluating test-case quality.
Authors: Yujie Luo, Zhuoyun Yu, Xuehai Wang, Yuqi Zhu, Ningyu Zhang, Lanning Wei, Lun Du, Da Zheng, Huajun Chen
Abstract: Replicating AI research is a crucial yet challenging task for large language model (LLM) agents. Existing approaches often struggle to generate executable code, primarily due to insufficient background knowledge and the limitations of retrieval-augmented generation (RAG) methods, which fail to capture latent technical details hidden in referenced papers. Furthermore, previous approaches tend to overlook valuable implementation-level code signals and lack structured knowledge representations that support multi-granular retrieval and reuse. To overcome these challenges, we propose Executable Knowledge Graphs (xKG), a modular and pluggable knowledge base that automatically integrates technical insights, code snippets, and domain-specific knowledge extracted from scientific literature. When integrated into three agent frameworks with two different LLMs, xKG shows substantial performance gains (10.9% with o3-mini) on PaperBench, demonstrating its effectiveness as a general and extensible solution for automated AI research replication. Code will released at https://github.com/zjunlp/xKG.
Authors: Jiale Cheng, Yusen Liu, Xinyu Zhang, Yulin Fei, Wenyi Hong, Ruiliang Lyu, Weihan Wang, Zhe Su, Xiaotao Gu, Xiao Liu, Yushi Bai, Jie Tang, Hongning Wang, Minlie Huang
Abstract: Large language models (LLMs) increasingly rely on long-context modeling for tasks such as document understanding, code analysis, and multi-step reasoning. However, scaling context windows to the million-token level brings prohibitive computational and memory costs, limiting the practicality of long-context LLMs. In this work, we take a different perspective-visual context scaling-to tackle this challenge. Instead of extending token-based sequences, we propose Glyph, a framework that renders long texts into images and processes them with vision-language models (VLMs). This approach substantially compresses textual input while preserving semantic information, and we further design an LLM-driven genetic search to identify optimal visual rendering configurations for balancing accuracy and compression. Through extensive experiments, we demonstrate that our method achieves 3-4x token compression while maintaining accuracy comparable to leading LLMs such as Qwen3-8B on various long-context benchmarks. This compression also leads to around 4x faster prefilling and decoding, and approximately 2x faster SFT training. Furthermore, under extreme compression, a 128K-context VLM could scale to handle 1M-token-level text tasks. In addition, the rendered text data benefits real-world multimodal tasks, such as document understanding. Our code and model are released at https://github.com/thu-coai/Glyph.
Authors: Wilson E. Marc\'ilio-Jr, Danilo M. Eler, Fernando V. Paulovich, Rafael M. Martins
Abstract: Dimensionality reduction (DR) techniques help analysts to understand patterns in high-dimensional spaces. These techniques, often represented by scatter plots, are employed in diverse science domains and facilitate similarity analysis among clusters and data samples. For datasets containing many granularities or when analysis follows the information visualization mantra, hierarchical DR techniques are the most suitable approach since they present major structures beforehand and details on demand. This work presents HUMAP, a novel hierarchical dimensionality reduction technique designed to be flexible on preserving local and global structures and preserve the mental map throughout hierarchical exploration. We provide empirical evidence of our technique's superiority compared with current hierarchical approaches and show a case study applying HUMAP for dataset labelling.
Authors: Yahya Sattar, Zhe Du, Davoud Ataee Tarzanagh, Laura Balzano, Necmiye Ozay, Samet Oymak
Abstract: Learning how to effectively control unknown dynamical systems is crucial for intelligent autonomous systems. This task becomes a significant challenge when the underlying dynamics are changing with time. Motivated by this challenge, this paper considers the problem of controlling an unknown Markov jump linear system (MJS) to optimize a quadratic objective. By taking a model-based perspective, we consider identification-based adaptive control of MJSs. We first provide a system identification algorithm for MJS to learn the dynamics in each mode as well as the Markov transition matrix, underlying the evolution of the mode switches, from a single trajectory of the system states, inputs, and modes. Through martingale-based arguments, sample complexity of this algorithm is shown to be $\mathcal{O}(1/\sqrt{T})$. We then propose an adaptive control scheme that performs system identification together with certainty equivalent control to adapt the controllers in an episodic fashion. Combining our sample complexity results with recent perturbation results for certainty equivalent control, we prove that when the episode lengths are appropriately chosen, the proposed adaptive control scheme achieves $\mathcal{O}(\sqrt{T})$ regret, which can be improved to $\mathcal{O}(polylog(T))$ with partial knowledge of the system. Our proof strategy introduces innovations to handle Markovian jumps and a weaker notion of stability common in MJSs. Our analysis provides insights into system theoretic quantities that affect learning accuracy and control performance. Numerical simulations are presented to further reinforce these insights.
Authors: Elynn Chen, Sai Li, Michael I. Jordan
Abstract: Time-inhomogeneous finite-horizon Markov decision processes (MDP) are frequently employed to model decision-making in dynamic treatment regimes and other statistical reinforcement learning (RL) scenarios. These fields, especially healthcare and business, often face challenges such as high-dimensional state spaces and time-inhomogeneity of the MDP process, compounded by insufficient sample availability which complicates informed decision-making. To overcome these challenges, we investigate knowledge transfer within time-inhomogeneous finite-horizon MDP by leveraging data from both a target RL task and several related source tasks. We have developed transfer learning (TL) algorithms that are adaptable for both batch and online $Q$-learning, integrating valuable insights from offline source studies. The proposed transfer $Q$-learning algorithm contains a novel {\em re-targeting} step that enables {\em cross-stage transfer} along multiple stages in an RL task, besides the usual {\em cross-task transfer} for supervised learning. We establish the first theoretical justifications of TL in RL tasks by showing a faster rate of convergence of the $Q^*$-function estimation in the offline RL transfer, and a lower regret bound in the offline-to-online RL transfer under stage-wise reward similarity and mild design similarity across tasks. Empirical evidence from both synthetic and real datasets is presented to evaluate the proposed algorithm and support our theoretical results.
Authors: Xin Li
Abstract: We introduce the delta-homology model of memory, a unified framework in which recall, learning, and prediction emerge from cycle closure, the completion of topologically constrained trajectories within the brain's latent manifold. A Dirac-like memory trace corresponds to a nontrivial homology generator, representing a sparse, irreducible attractor that reactivates only when inference trajectories close upon themselves. In this view, memory is not a static attractor landscape but a topological process of recurrence, where structure arises through the stabilization of closed loops. Building on this principle, we represent spike-timing dynamics as spatiotemporal complexes, in which temporally consistent transitions among neurons form chain complexes supporting persistent activation cycles. These cycles are organized into cell posets, compact causal representations that encode overlapping and compositional memory traces. Within this construction, learning and recall correspond to cycle closure under contextual modulation: inference trajectories stabilize into nontrivial homology classes when both local synchrony (context) and global recurrence (content) are satisfied. We formalize this mechanism through the Context-Content Uncertainty Principle (CCUP), which states that cognition minimizes joint uncertainty between a high-entropy context variable and a low-entropy content variable. Synchronization acts as a context filter selecting coherent subnetworks, while recurrence acts as a content filter validating nontrivial cycles.
Authors: Bruno Machado Pacheco, Laio Oriel Seman, Cezar Antonio Rigo, Eduardo Camponogara, Eduardo Augusto Bezerra, Leandro dos Santos Coelho
Abstract: This study investigates how to schedule nanosatellite tasks more efficiently using Graph Neural Networks (GNNs). In the Offline Nanosatellite Task Scheduling (ONTS) problem, the goal is to find the optimal schedule for tasks to be carried out in orbit while taking into account Quality-of-Service (QoS) considerations such as priority, minimum and maximum activation events, execution time-frames, periods, and execution windows, as well as constraints on the satellite's power resources and the complexity of energy harvesting and management. The ONTS problem has been approached using conventional mathematical formulations and exact methods, but their applicability to challenging cases of the problem is limited. This study examines the use of GNNs in this context, which has been effectively applied to optimization problems such as the traveling salesman, scheduling, and facility placement problems. More specifically, we investigate whether GNNs can learn the complex structure of the ONTS problem with respect to feasibility and optimality of candidate solutions. Furthermore, we evaluate using GNN-based heuristic solutions to provide better solutions (w.r.t. the objective value) to the ONTS problem and reduce the optimization cost. Our experiments show that GNNs are not only able to learn feasibility and optimality for instances of the ONTS problem, but they can generalize to harder instances than those seen during training. Furthermore, the GNN-based heuristics improved the expected objective value of the best solution found under the time limit in 45%, and reduced the expected time to find a feasible solution in 35%, when compared to the SCIP (Solving Constraint Integer Programs) solver in its off-the-shelf configuration
Authors: Young In Kim, Andrea Agiollo, Pratiksha Agrawal, Johannes O. Royset, Rajiv Khanna
Abstract: Optimization algorithms that seek flatter minima such as Sharpness-Aware Minimization (SAM) are widely credited with improved generalization. We ask whether such gains impact membership privacy. Surprisingly, we find that SAM is more prone to membership inference attacks than classical SGD across multiple datasets and attack methods, despite achieving lower test error. This is an intriguing phenomenon as conventional belief posits that higher membership privacy risk is associated with poor generalization. We conjecture that SAM is capable of memorizing atypical subpatterns more, leading to better generalization but higher privacy risk. We empirically validate our hypothesis by running extensive analysis on memorization and influence scores. Finally, we theoretically show how a model that captures minority subclass features more can effectively generalize better \emph{and} have higher membership privacy risk.
Authors: Ke Xu, Zhiyong Zheng, Hongyuan Zhu, Lei Wang, Jiangtao Wang
Abstract: Wi-Fi sensing systems are severely hindered by cross domain problem when deployed in unseen real-world environments. Existing methods typically design separate frameworks for either domain adaptation or domain generalization, often relying on extensive labeled data. Existing methods that designed for domain generalization is often relying on extensive labeled data. However, real-world scenarios are far more complex, where the deployed model must be capable of handling generalization under limited labeled source data. To this end, we propose UniCrossFi, a unified framework designed to mitigate performance drop in CSI-based sensing across diverse deployment settings. Our framework not only extends conventional Domain Generalization (DG) to a more practical Semi-Supervised Domain Generalization (SSDG) setting, where only partially labeled source data are available, but also introduces a physics-informed data augmentation strategy, Antenna Response Consistency (ARC). ARC mitigates the risk of learning superficial shortcuts by exploiting the intrinsic spatial diversity of multi-antenna systems, treating signals from different antennas as naturally augmented views of the same event. In addition, we design a Unified Contrastive Objective to prevent conventional contrastive learning from pushing apart samples from different domains that share the same class. We conduct extensive experiments on the public Widar and CSIDA datasets. The results demonstrate that UniCrossFi consistently establishes a new state-of-the-art, significantly outperforming existing methods across all unsupervised domain adaptation, DG, and SSDG benchmarks. UniCrossFi provides a principled and practical solution to the domain shift challenge, advancing the feasibility of robust, real-world Wi-Fi sensing systems that can operate effectively with limited labeled data.
Authors: Lingkai Kong, Yuanqi Du, Wenhao Mu, Kirill Neklyudov, Valentin De Bortoli, Dongxia Wu, Haorui Wang, Aaron Ferber, Yi-An Ma, Carla P. Gomes, Chao Zhang
Abstract: Addressing real-world optimization problems becomes particularly challenging when analytic objective functions or constraints are unavailable. While numerous studies have addressed the issue of unknown objectives, limited research has focused on scenarios where feasibility constraints are not given explicitly. Overlooking these constraints can lead to spurious solutions that are unrealistic in practice. To deal with such unknown constraints, we propose to perform optimization within the data manifold using diffusion models. To constrain the optimization process to the data manifold, we reformulate the original optimization problem as a sampling problem from the product of the Boltzmann distribution defined by the objective function and the data distribution learned by the diffusion model. Depending on the differentiability of the objective function, we propose two different sampling methods. For differentiable objectives, we propose a two-stage framework that begins with a guided diffusion process for warm-up, followed by a Langevin dynamics stage for further correction. For non-differentiable objectives, we propose an iterative importance sampling strategy using the diffusion model as the proposal distribution. Comprehensive experiments on a synthetic dataset, six real-world black-box optimization datasets, and a multi-objective molecule optimization dataset show that our method achieves better or comparable performance with previous state-of-the-art baselines.
Authors: Sudarshan Srinivasa Ramanujam, Akanksha Bindal, Yu Jiang, Timothy J. Hazen, David Golland, Fengyu Zhang, Daqi Sun, Wanning Li, Birjodh Singh Tiwana, Siddharth Dangi, Peng Yan
Abstract: A post embedding (representation of text in embedding space that effectively captures semantic meaning) is a foundational component of LinkedIn that is consumed by product surfaces in retrieval and ranking (e.g., ranking posts in the feed or video tab). This paper presents the post embeddings used at LinkedIn, where a pre-trained transformer-based large language model (LLM) is taken as input and fine-tuned using multi-task learning across a diverse set of semantic labeling tasks. We observe positive transfer, leading to improved performance across all tasks, compared to training them independently. The generated post embeddings outperform baseline models in zero-shot learning, demonstrating its potential for broader applicability. Furthermore, the generated post embeddings' performance surpasses that of OpenAI's ADA-001 and ADA-002 embeddings on LinkedIn specific datasets and tasks. We also describe the offline evaluation methodology and the deployment to our near-line infrastructure, which makes the post embedding available for use within minutes of post creation for any downstream application. We present how the embeddings were applied in the Feed product surface, in both ranking and retrieval stages, and showcase the real world online impact to demonstrate the superior performance of these embeddings. Finally, we also share the results of applying the embeddings to the retrieval system of our video ranking product surface in LinkedIn. These embeddings have been battle-tested in production at LinkedIn for over two years, consistently powering multiple products.
Authors: Keertana Chidambaram, Karthik Vinay Seetharaman, Vasilis Syrgkanis
Abstract: Reinforcement Learning from Human Feedback (RLHF) has become central to aligning large language models with human values, typically by first learning a reward model from preference data which is then used to update the model with reinforcement learning. Recent alternatives such as Direct Preference Optimization (DPO) simplify this pipeline by directly optimizing on preferences. However, both approaches often assume uniform annotator preferences and rely on binary comparisons, overlooking two key limitations: the diversity of human evaluators and the limitations of pairwise feedback. In this work, we address both these issues. First, we connect preference learning in RLHF with the econometrics literature and show that binary comparisons are insufficient for identifying latent user preferences from finite user data and infinite users, while (even incomplete) rankings over three or more responses ensure identifiability. Second, we introduce methods to incorporate heterogeneous preferences into alignment algorithms. We develop an Expectation-Maximization adaptation of DPO that discovers latent annotator types and trains a mixture of LLMs accordingly. Then we propose an aggregation algorithm using a min-max regret fairness criterion to produce a single generative policy with equitable performance guarantees. Together, these contributions establish a theoretical and algorithmic framework for fairness and personalization for diverse users in generative model alignment.
Authors: Fengdi Che, Chenjun Xiao, Jincheng Mei, Bo Dai, Ramki Gummadi, Oscar A Ramirez, Christopher K Harris, A. Rupam Mahmood, Dale Schuurmans
Abstract: We prove that the combination of a target network and over-parameterized linear function approximation establishes a weaker convergence condition for bootstrapped value estimation in certain cases, even with off-policy data. Our condition is naturally satisfied for expected updates over the entire state-action space or learning with a batch of complete trajectories from episodic Markov decision processes. Notably, using only a target network or an over-parameterized model does not provide such a convergence guarantee. Additionally, we extend our results to learning with truncated trajectories, showing that convergence is achievable for all tasks with minor modifications, akin to value truncation for the final states in trajectories. Our primary result focuses on temporal difference estimation for prediction, providing high-probability value estimation error bounds and empirical analysis on Baird's counterexample and a Four-room task. Furthermore, we explore the control setting, demonstrating that similar convergence conditions apply to Q-learning.
Authors: Hugo Melchers, Joost Prins, Michael Abdelmalik
Abstract: This work introduces a paradigm for constructing parametric neural operators that are derived from finite-dimensional representations of Green's operators, with learnable Green's functions, for linear partial differential equations (PDEs). We refer to such neural operators as Neural Green's Operators (NGOs). Our construction of NGOs preserves the linear action of Green's operators on the inhomogeneity fields, while approximating the nonlinear dependence of the Green's function on the coefficients of the PDE using neural networks that take weighted averages of such coefficients as input. This construction reduces the complexity of the problem from learning the entire solution operator and its dependence on all parameters to only learning the Green's function and its dependence on the PDE coefficients. Moreover, taking weighted averages, rather than point samples, of input functions decouples the network size from the number of sampling points, enabling efficient resolution of multiple scales in the input fields. Furthermore, we show that our explicit representation of Green's functions enables the embedding of desirable mathematical attributes in our NGO architectures, such as symmetry, spectral, and conservation properties. Through numerical benchmarks on canonical PDEs, we demonstrate that NGOs achieve comparable or superior accuracy to deep operator networks, variationally mimetic operator networks, and Fourier neural operators with similar parameter counts, while generalizing significantly better when tested on out-of-distribution data. For time-dependent PDEs, we show that NGOs can produce pointwise-accurate dynamics in an auto-regressive manner when trained on a single time step. Finally, we show that we can leverage the explicit representation of Green's functions returned by NGOs to construct effective matrix preconditioners that accelerate iterative solvers for PDEs.
Authors: Carlo Orientale Caputo, Elias Seiffert, Enrico Frausin, Matteo Marsili
Abstract: Abstraction is the process of extracting the essential features from raw data while ignoring irrelevant details. It is well known that abstraction emerges with depth in neural networks, where deep layers capture abstract characteristics of data by combining lower level features encoded in shallow layers (e.g. edges). Yet we argue that depth alone is not enough to develop truly abstract representations. We advocate that the level of abstraction crucially depends on how broad the training set is. We address the issue within a renormalisation group approach where a representation is expanded to encompass a broader set of data. We take the unique fixed point of this transformation -- the Hierarchical Feature Model -- as a candidate for a representation which is absolutely abstract. This theoretical picture is tested in numerical experiments based on Deep Belief Networks and auto-encoders trained on data of different breadth. These show that representations in neural networks approach the Hierarchical Feature Model as the data get broader and as depth increases, in agreement with theoretical predictions.
Authors: Ahmet Zahid Balc{\i}o\u{g}lu, Newton Mwai, Emil Carlsson, Fredrik D. Johansson
Abstract: Sequential decision-making algorithms such as multi-armed bandits can find optimal personalized decisions, but are notoriously sample-hungry. In personalized medicine, for example, training a bandit from scratch for every patient is typically infeasible, as the number of trials required is much larger than the number of decision points for a single patient. To combat this, latent bandits offer rapid exploration and personalization beyond what context variables alone can offer, provided that a latent variable model of problem instances can be learned consistently. However, existing works give no guidance as to how such a model can be found. In this work, we propose an identifiable latent bandit framework that leads to optimal decision-making with a shorter exploration time than classical bandits by learning from historical records of decisions and outcomes. Our method is based on nonlinear independent component analysis that provably identifies representations from observational data sufficient to infer optimal actions in new bandit instances. We verify this strategy in simulated and semi-synthetic environments, showing substantial improvement over online and offline learning baselines when identifying conditions are satisfied.
Authors: Yupeng Chen, Senmiao Wang, Yushun Zhang, Zhihang Lin, Haozhe Zhang, Weijian Sun, Tian Ding, Ruoyu Sun
Abstract: Large language models (LLMs) have demonstrated remarkable capabilities across a wide range of tasks. Typically, LLMs are first pre-trained on large corpora and subsequently fine-tuned on task-specific datasets. However, during fine-tuning, LLMs may forget some knowledge acquired in the pre-training stage, leading to a decline in general capabilities. Existing approaches to mitigate forgetting often rely on access to pre-training data, which may be unavailable in many real-world scenarios--such as fine-tuning checkpoint-only open-source LLMs. To address this challenge, we propose a new fine-tuning algorithm termed Momentum-Filtered Optimizer (MoFO). MoFO is an extension of greedy block coordinate descent (BCD) methods: in each iteration, MoFO only updates the model parameters with the largest momentum magnitudes, while keeping all other parameters fixed. MoFO achieves similar fine-tuning performance to the default fine-tuning algorithm while effectively mitigating knowledge forgetting. We validate MoFO through rigorous convergence analysis and extensive experiments, demonstrating its effectiveness in mitigating forgetting without pre-training data.
Authors: Wang-Ji Yan (State Key Laboratory of Internet of Things for Smart City and Department of Civil and Environmental Engineering, University of Macau, Guangdong-Hong Kong-Macau Joint Laboratory for Smart Cities, China), Lin-Feng Mei (State Key Laboratory of Internet of Things for Smart City and Department of Civil and Environmental Engineering, University of Macau), Jiang Mo (State Key Laboratory of Internet of Things for Smart City and Department of Civil and Environmental Engineering, University of Macau), Costas Papadimitriou (Department of Mechanical Engineering, University of Thessaly), Ka-Veng Yuen (State Key Laboratory of Internet of Things for Smart City and Department of Civil and Environmental Engineering, University of Macau, Guangdong-Hong Kong-Macau Joint Laboratory for Smart Cities, China), Michael Beer (Leibniz University Hannover, Institute for Risk and Reliability, Department of Civil and Environmental Engineering, University of Liverpool, International Joint Research Center for Resilient Infrastructure & International Joint Research Center for Engineering Reliability and Stochastic Mechanics, Tongji University)
Abstract: In the era of big data, machine learning (ML) has become a powerful tool in various fields, notably impacting structural dynamics. ML algorithms offer advantages by modeling physical phenomena based on data, even in the absence of underlying mechanisms. However, uncertainties such as measurement noise and modeling errors can compromise the reliability of ML predictions, highlighting the need for effective uncertainty awareness to enhance prediction robustness. This paper presents a comprehensive review on navigating uncertainties in ML, categorizing uncertainty-aware approaches into probabilistic methods (including Bayesian and frequentist perspectives) and non-probabilistic methods (such as interval learning and fuzzy learning). Bayesian neural networks, known for their uncertainty quantification and nonlinear mapping capabilities, are emphasized for their superior performance and potential. The review covers various techniques and methodologies for addressing uncertainties in ML, discussing fundamentals and implementation procedures of each method. While providing a concise overview of fundamental concepts, the paper refrains from in-depth critical explanations. Strengths and limitations of each approach are examined, along with their applications in structural dynamic forward problems like response prediction, sensitivity assessment, and reliability analysis, and inverse problems like system identification, model updating, and damage identification. Additionally, the review identifies research gaps and suggests future directions for investigations, aiming to provide comprehensive insights to the research community. By offering an extensive overview of both probabilistic and non-probabilistic approaches, this review aims to assist researchers and practitioners in making informed decisions when utilizing ML techniques to address uncertainties in structural dynamic problems.
Authors: Kai-liang Lu
Abstract: In many scientific and engineering (e.g., physical, biochemical, medical) practices, data generated through expensive experiments or large-scale simulations, are often sparse and noisy. Physics-informed neural network (PINN) incorporates physical information and knowledge into network topology or computational processes as model priors, with the unique advantage of achieving strong generalization with small data. This study aims to investigate the performance characteristics of the soft-constrained PINN method to solving typical linear and nonlinear ordinary differential equations (ODEs) such as primer, Van der Pol and Duffing oscillators, especially the effectiveness, efficiency, and robustness to noise with minimal data. It is verified that the soft-constrained PINN significantly reduces the need for labeled data. With the aid of appropriate collocation points no need to be labeled, it can predict and also extrapolate with minimal data. First-order and second-order ODEs, no matter linear or nonlinear oscillators, require only one and two training data (containing initial values) respectively, just like classical analytic or Runge-Kutta methods, and with equivalent precision and comparable efficiency (fast training in seconds for scalar ODEs). Furthermore, it can conveniently impose a physical law (e.g., conservation of energy) constraint by adding a regularization term to the total loss function, improving the performance to deal with various complexities such as nonlinearity like Duffing. The DeepXDE-based PINN implementation is light code and can be efficiently trained on both GPU and CPU platforms. The mathematical and computational framework of this alternative and feasible PINN method to ODEs, can be easily extended to PDEs, etc., and is becoming a favorable catalyst for the era of Digital Twins.
Authors: Muyao Wang, Zeke Xie, Bo Chen, Hongwei Liu, James Kwok
Abstract: The influence function serves as an efficient post-hoc interpretability tool that quantifies the impact of training data modifications on model parameters, enabling enhanced model performance, improved generalization, and interpretability insights without the need for expensive retraining processes. Recently, Multivariate Time Series (MTS) analysis has become an important yet challenging task, attracting significant attention. While channel extremely matters to MTS tasks, channel-centric methods are still largely under-explored for MTS. Particularly, no previous work studied the effects of channel information of MTS in order to explore counterfactual effects between these channels and model performance. To fill this gap, we propose a novel Channel-wise Influence (ChInf) method that is the first to estimate the influence of different channels in MTS. Based on ChInf,we naturally derived two channel-wise algorithms by incorporating ChInf into classic MTS tasks. Extensive experiments demonstrate the effectiveness of ChInf and ChInf-based methods in critical MTS analysis tasks, such as MTS anomaly detection and MTS data pruning. Specifically, our ChInf-based methods rank top-1 among all methods for comparison, while previous influence functions do not perform well on MTS anomaly detection tasks and MTS data pruning problem. This fully supports the superiority and necessity of ChInf.
Authors: Zhenwei Huang, Wen Huang, Pratik Jawanpuria, Bamdev Mishra
Abstract: Federated learning (FL) as a distributed learning paradigm has a significant advantage in addressing large-scale machine learning tasks. In the Euclidean setting, FL algorithms have been extensively studied with both theoretical and empirical success. However, there exist few works that investigate federated learning algorithms in the Riemannian setting. In particular, critical challenges such as partial participation and data heterogeneity among agents are not explored in the Riemannian federated setting. This paper presents and analyzes a Riemannian FL algorithm, called RFedAGS, based on a new efficient server aggregation -- averaging gradient streams, which can simultaneously handle partial participation and data heterogeneity. We theoretically show that the proposed RFedAGS has global convergence and sublinear convergence rate under decaying step sizes cases; and converges sublinearly/linearly to a neighborhood of a stationary point/solution under fixed step sizes cases. These analyses are based on a vital and non-trivial assumption induced by partial participation, which is shown to hold with high probability. Extensive experiments conducted on synthetic and real-world data demonstrate the good performance of RFedAGS.
Authors: Olivier Lepel, Anas Barakat
Abstract: Classical reinforcement learning (RL) typically assumes rational decision-making based on expected utility theory. However, this model has been shown to be empirically inconsistent with actual human preferences, as evidenced in psychology and behavioral economics. Cumulative Prospect Theory (CPT) provides a more nuanced model for human-based decision-making, capturing diverse attitudes and perceptions toward risk, gains, and losses. While prior work has integrated CPT with RL to solve CPT policy optimization problems, the understanding and impact of this formulation remain limited. Our contributions are as follows: (a) we derive a novel policy gradient theorem for CPT objectives, generalizing the foundational result in standard RL, (b) we design a model-free policy gradient algorithm for solving the CPT-RL problem, (c) we analyze our policy gradient estimator and prove asymptotic convergence of the algorithm to first-order stationary points, and (d) test its performance through simulations. Notably, our first-order policy gradient algorithm scales better than existing zeroth-order methods to larger state spaces. Our theoretical framework offers more flexibility to advance the integration of behavioral decision-making into RL.
Authors: Fabian Paischer, Lukas Hauzenberger, Thomas Schmied, Benedikt Alkin, Marc Peter Deisenroth, Sepp Hochreiter
Abstract: Foundation models (FMs) are pre-trained on large-scale datasets and then fine-tuned for a specific downstream task. The most common fine-tuning method is to update pretrained weights via low-rank adaptation (LoRA). Existing initialization strategies for LoRA often rely on singular value decompositions (SVD) of gradients or weight matrices. However, they do not provably maximize the expected gradient signal, which is critical for fast adaptation. To this end, we introduce Explained Variance Adaptation (EVA), an initialization scheme that uses the directions capturing the most activation variance, provably maximizing the expected gradient signal and accelerating fine-tuning. EVA performs incremental SVD on minibatches of activation vectors and selects the right-singular vectors for initialization once they converged. Further, by selecting the directions that capture the most activation-variance for a given rank budget, EVA accommodates adaptive ranks that reduce the number of trainable parameters. We apply EVA to a variety of fine-tuning tasks as language generation and understanding, image classification, and reinforcement learning. EVA exhibits faster convergence than competitors and achieves the highest average score across a multitude of tasks per domain while reducing the number of trainable parameters through rank redistribution. In summary, EVA establishes a new Pareto frontier compared to existing LoRA initialization schemes in both accuracy and efficiency.
Authors: Youngjae Min, Navid Azizan
Abstract: Incorporating prior knowledge or specifications of input-output relationships into machine learning models has attracted significant attention, as it enhances generalization from limited data and yields conforming outputs. However, most existing approaches use soft constraints by penalizing violations through regularization, which offers no guarantee of constraint satisfaction, especially on inputs far from the training distribution--an essential requirement in safety-critical applications. On the other hand, imposing hard constraints on neural networks may hinder their representational power, adversely affecting performance. To address this, we propose HardNet, a practical framework for constructing neural networks that inherently satisfy hard constraints without sacrificing model capacity. Unlike approaches that modify outputs only at inference time, HardNet enables end-to-end training with hard constraint guarantees, leading to improved performance. To the best of our knowledge, HardNet is the first method that enables efficient and differentiable enforcement of more than one input-dependent inequality constraint. It allows unconstrained optimization of the network parameters using standard algorithms by appending a differentiable closed-form enforcement layer to the network's output. Furthermore, we show that HardNet retains neural networks' universal approximation capabilities. We demonstrate its versatility and effectiveness across various applications: learning with piecewise constraints, learning optimization solvers with guaranteed feasibility, and optimizing control policies in safety-critical systems.
Authors: Gionni Marchetti
Abstract: A data-driven approach based on unsupervised machine learning is proposed to infer the intrinsic dimension $m^{\ast}$ of the high-dimensional trajectories of the Fermi-Pasta-Ulam-Tsingou (FPUT) model. Principal component analysis (PCA) is applied to trajectory data consisting of $n_s = 4,000,000$ datapoints, of the FPUT $\beta$ model with $N = 32$ coupled oscillators, revealing a critical relationship between $m^{\ast}$ and the model's nonlinear strength. By estimating the intrinsic dimension $m^{\ast}$ using multiple methods (participation ratio, Kaiser rule, and the Kneedle algorithm), it is found that $m^{\ast}$ increases with the model nonlinearity. Interestingly, in the weakly nonlinear regime, for trajectories initialized by exciting the first mode, the participation ratio estimates $m^{\ast} = 2, 3$, strongly suggesting that quasi-periodic motion on a low-dimensional Riemannian manifold underlies the characteristic energy recurrences observed in the FPUT model.
Authors: Klemens Fl\"oge, Srisruthi Udayakumar, Johanna Sommer, Marie Piraud, Stefan Kesselheim, Vincent Fortuin, Stephan G\"unneman, Karel J van der Weg, Holger Gohlke, Erinc Merdivan, Alina Bazarova
Abstract: Recent advances in Artificial Intelligence have enabled multi-modal systems to model and translate diverse information spaces. Extending beyond text and vision, we introduce OneProt, a multi-modal AI for proteins that integrates structural, sequence, text, and binding site data. Using the ImageBind framework, OneProt aligns the latent spaces of protein modality encoders in a lightweight fine-tuning scheme that focuses on pairwise alignment with sequence data rather than requiring full matches. This novel approach comprises a mix of Graph Neural Networks and transformer architectures. It demonstrates strong performance in retrieval tasks and showcases the efficacy of multi-modal systems in Protein Machine Learning through a broad spectrum of downstream baselines, including enzyme function prediction and binding site analysis. Furthermore, OneProt enables the transfer of representational information from specialized encoders to the sequence encoder, enhancing capabilities for distinguishing evolutionarily related and unrelated sequences and exhibiting representational properties where evolutionarily related proteins align in similar directions within the latent space. In addition, we extensively investigate modality ablations to identify the encoders that contribute most to predictive performance, highlighting the significance of the binding site encoder, which has not been used in similar models previously. This work expands the horizons of multi-modal protein models, paving the way for transformative applications in drug discovery, biocatalytic reaction planning, and protein engineering.
Authors: Spencer Giddens, Xiaon Lang, Fang Liu
Abstract: As data-driven and AI-based decision making gains widespread adoption across disciplines, it is crucial that both data privacy and decision fairness are appropriately addressed. Although differential privacy (DP) provides a robust framework for guaranteeing privacy and methods are available to improve fairness, most prior work treats the two concerns separately. Even though there are existing approaches that consider privacy and fairness simultaneously, they typically focus on a single specific learning task, limiting their generalizability. In response, we introduce SAFES, a Sequential PrivAcy and Fairness Enhancing data Synthesis procedure that sequentially combines DP data synthesis with a fairness-aware data preprocessing step. SAFES allows users flexibility in navigating the privacy-fairness-utility trade-offs. We illustrate SAFES with different DP synthesizers and fairness-aware data preprocessing methods and run extensive experiments on multiple real datasets to examine the privacy-fairness-utility trade-offs of synthetic data generated by SAFES. Empirical evaluations demonstrate that for reasonable privacy loss, SAFES-generated synthetic data can achieve significantly improved fairness metrics with relatively low utility loss.
Authors: Yuan Yuan, Chonghua Han, Jingtao Ding, Guozhen Zhang, Depeng Jin, Yong Li
Abstract: The urban environment is characterized by complex spatio-temporal dynamics arising from diverse human activities and interactions. Effectively modeling these dynamics is essential for understanding and optimizing urban systems. In this work, we introduce UrbanDiT, a foundation model for open-world urban spatio-temporal learning that successfully scales up diffusion transformers in this field. UrbanDiT pioneers a unified model that integrates diverse data sources and types while learning universal spatio-temporal patterns across different cities and scenarios. This allows the model to unify both multi-data and multi-task learning, and effectively support a wide range of spatio-temporal applications. Its key innovation lies in the elaborated prompt learning framework, which adaptively generates both data-driven and task-specific prompts, guiding the model to deliver superior performance across various urban applications. UrbanDiT offers three advantages: 1) It unifies diverse data types, such as grid-based and graph-based data, into a sequential format; 2) With task-specific prompts, it supports a wide range of tasks, including bi-directional spatio-temporal prediction, temporal interpolation, spatial extrapolation, and spatio-temporal imputation; and 3) It generalizes effectively to open-world scenarios, with its powerful zero-shot capabilities outperforming nearly all baselines with training data. UrbanDiT sets up a new benchmark for foundation models in the urban spatio-temporal domain. Code and datasets are publicly available at https://github.com/tsinghua-fib-lab/UrbanDiT.
Authors: Dun Zeng, Zheshun Wu, Shiyu Liu, Yu Pan, Xiaoying Tang, Zenglin Xu
Abstract: Federated Learning (FL) is a distributed learning approach that trains machine learning models across multiple devices while keeping their local data private. However, FL often faces challenges due to data heterogeneity, leading to inconsistent local optima among clients. These inconsistencies can cause unfavorable convergence behavior and generalization performance degradation. Existing studies often describe this issue through \textit{convergence analysis} on gradient norms, focusing on how well a model fits training data, or through \textit{algorithmic stability}, which examines the generalization gap. However, neither approach precisely captures the generalization performance of FL algorithms, especially for non-convex neural network training. In response, this paper introduces an innovative generalization dynamics analysis framework, namely \textit{Libra}, for algorithm-dependent excess risk minimization, highlighting the trade-offs between model stability and gradient norms. We present Libra towards a standard federated optimization framework and its variants using server momentum. Through this framework, we show that larger local steps or momentum accelerate convergence of gradient norms, while worsening model stability, yielding better excess risk. Experimental results on standard FL settings prove the insights of our theories. These insights can guide hyperparameter tuning and future algorithm design to achieve stronger generalization.
Authors: Shengnan Guo, Tonglong Wei, Yiheng Huang, Yan Lin, Zekai Shen, Yujuan Dong, Junliang Lin, Youfang Lin, Huaiyu Wan
Abstract: Traffic data imputation is a critical preprocessing step in intelligent transportation systems, underpinning the reliability of downstream transportation services. Despite substantial progress in imputation models, model selection and development for practical applications remains challenging due to three key gaps: 1) the absence of a model taxonomy for traffic data imputation to trace the technological development and highlight their distinct features. 2) the lack of unified benchmarking pipeline for fair and reproducible model evaluation across standardized traffic datasets. 3) insufficient in-depth analysis that jointly compare models across multiple dimensions, including effectiveness, computational efficiency and robustness. To this end, this paper proposes practice-oriented taxonomies for traffic data missing patterns and imputation models, systematically cataloging real-world traffic data loss scenarios and analyzing the characteristics of existing models. We further introduce a unified benchmarking pipeline to comprehensively evaluate 11 representative models across various missing patterns and rates, assessing overall performance, performance under challenging scenarios, computational efficiency, and providing visualizations. This work aims to provide a holistic perspective on traffic data imputation and to serve as a practical guideline for model selection and application in intelligent transportation systems.
Authors: Alexandru Dimofte, Glenn Anta Bucagu, Thorir Mar Ingolfsson, Xiaying Wang, Andrea Cossettini, Luca Benini, Yawei Li
Abstract: Electroencephalograph (EEG) is a crucial tool for studying brain activity. Recently, self-supervised learning methods leveraging large unlabeled datasets have emerged as a potential solution to the scarcity of widely available annotated EEG data. However, current methods suffer from at least one of the following limitations: i) sub-optimal EEG signal modeling, ii) model sizes in the hundreds of millions of trainable parameters, and iii) reliance on private datasets and/or inconsistent public benchmarks, hindering reproducibility. To address these challenges, we introduce a Compact Encoder for Representations of Brain Oscillations using alternating attention (CEReBrO), a new small EEG foundation model. Our tokenization scheme represents EEG signals at a per-channel patch granularity. We propose an alternating attention mechanism that jointly models intra-channel temporal dynamics and inter-channel spatial correlations, achieving 2x speed improvement with 6x less memory required compared to standard self-attention. We present several model sizes ranging from 3.6 million to 85 million parameters. Pre-trained on over 20,000 hours of publicly available scalp EEG recordings with diverse channel configurations, our models set new benchmarks in emotion detection and seizure detection tasks, with competitive performance in anomaly classification and gait prediction. This validates our models' effectiveness and efficiency.
Authors: Gholamali Aminian, Amir R. Asadi, Idan Shenfeld, Youssef Mroueh
Abstract: Recent methods for aligning large language models (LLMs) with human feedback predominantly rely on a single reference model, which limits diversity, model overfitting, and underutilizes the wide range of available pre-trained models. Incorporating multiple reference models has the potential to address these limitations by broadening perspectives, reducing bias, and leveraging the strengths of diverse open-source LLMs. However, integrating multiple reference models into reinforcement learning with human feedback (RLHF) frameworks poses significant theoretical challenges, where achieving exact solutions has remained an open problem. This paper presents the first \emph{exact solution} to the multiple reference model problem in reverse KL-regularized RLHF. We introduce a comprehensive theoretical framework that includes rigorous statistical analysis and provides sample complexity guarantees. Additionally, we extend our analysis to forward KL-regularized RLHF, offering new insights into sample complexity requirements in multiple reference scenarios. Our contributions lay the foundation for more advanced and adaptable LLM alignment techniques, enabling the effective use of multiple reference models. This work paves the way for developing alignment frameworks that are both theoretically sound and better suited to the challenges of modern AI ecosystems.
Authors: Chang Liu, Hai Huang, Yujie Xing, Xingquan Zuo
Abstract: Graph Neural Networks (GNNs) have achieved notable success in tasks such as social and transportation networks. However, recent studies have highlighted the vulnerability of GNNs to backdoor attacks, raising significant concerns about their reliability in real-world applications. Despite initial efforts to defend against specific graph backdoor attacks, existing defense methods face two main challenges: either the inability to establish a clear distinction between triggers and clean nodes, resulting in the removal of many clean nodes, or the failure to eliminate the impact of triggers, making it challenging to restore the target nodes to their pre-attack state. Through empirical analysis of various existing graph backdoor attacks, we observe that the triggers generated by these methods exhibit over-similarity in both features and structure. Based on this observation, we propose a novel graph backdoor defense method SimGuard. We first utilizes a similarity-based metric to detect triggers and then employs contrastive learning to train a backdoor detector that generates embeddings capable of separating triggers from clean nodes, thereby improving detection efficiency. Extensive experiments conducted on real-world datasets demonstrate that our proposed method effectively defends against various graph backdoor attacks while preserving performance on clean nodes. The code will be released upon acceptance.
Authors: Muxing Li, Zesheng Ye, Sharon Li, Andy Song, Guangquan Zhang, Feng Liu
Abstract: To detect unauthorized data usage in training large-scale generative models (e.g., ChatGPT or Midjourney), membership inference attacks (MIA) have proven effective in distinguishing a single training instance (a member) from a single non-training instance (a non-member). This success is mainly credited to a memorization effect: models tend to perform better on a member than a non-member. However, we find that standard MIAs fail against distilled generative models (i.e., student models) that are increasingly deployed in practice for efficiency (e.g., ChatGPT 4o-mini). Trained exclusively on data generated from a large-scale model (a teacher model), the student model lacks direct exposure to any members (teacher's training data), nullifying the memorization effect that standard MIAs rely on. This finding reveals a serious privacy loophole, where generation-service providers could deploy a student model whose teacher was potentially trained on unauthorized data, yet claim the deployed model is clean because it was not directly trained on such data. Hence, are distilled models inherently unauditable for upstream privacy violations, and should we discard them when we care about privacy? We contend no, as we uncover a memory chain connecting the student and teacher's member data: the distribution of student-generated data aligns more closely with the distribution of the teacher's members than with non-members, thus we can detect unauthorized data usage even when direct instance-level memorization is absent. This leads us to posit that MIAs on distilled generative models should shift from instance-level scores to distribution-level statistics. We further propose three principles of distribution-based MIAs for detecting unauthorized training data through distilled generative models, and validate our position through an exemplar framework. We lastly discuss the implications of our position.
Authors: Qitao Tan, Jun Liu, Zheng Zhan, Caiwei Ding, Yanzhi Wang, Xiaolong Ma, Jaewoo Lee, Jin Lu, Geng Yuan
Abstract: Large language models (LLMs) excel across various tasks, but standard first-order (FO) fine-tuning demands considerable memory, significantly limiting real-world deployment. Recently, zeroth-order (ZO) optimization stood out as a promising memory-efficient training paradigm, avoiding backward passes and relying solely on forward passes for gradient estimation, making it attractive for resource-constrained scenarios. However, ZO method lags far behind FO method in both convergence speed and accuracy. To bridge the gap, we introduce a novel layer-wise divergence analysis that uncovers the distinct update pattern of FO and ZO optimization. Aiming to resemble the learning capacity of FO method from the findings, we propose Divergence-driven Zeroth-Order (DiZO) optimization. DiZO conducts divergence-driven layer adaptation by incorporating projections to ZO updates, generating diverse-magnitude updates precisely scaled to layer-wise individual optimization needs. Our results demonstrate that DiZO significantly reduces the needed iterations for convergence without sacrificing throughput, cutting training GPU hours by up to 48\% on various datasets. Moreover, DiZO consistently outperforms the representative ZO baselines in fine-tuning RoBERTa-large, OPT-series, and Llama-series on downstream tasks and, in some cases, even surpasses memory-intensive FO fine-tuning. Our code is released at https://github.com/Skilteee/DiZO.
Authors: Riccardo Zamboni, Mirco Mutti, Marcello Restelli
Abstract: In reinforcement learning, we typically refer to unsupervised pre-training when we aim to pre-train a policy without a priori access to the task specification, i.e. rewards, to be later employed for efficient learning of downstream tasks. In single-agent settings, the problem has been extensively studied and mostly understood. A popular approach, called task-agnostic exploration, casts the unsupervised objective as maximizing the entropy of the state distribution induced by the agent's policy, from which principles and methods follow. In contrast, little is known about it in multi-agent settings, which are ubiquitous in the real world. What are the pros and cons of alternative problem formulations in this setting? How hard is the problem in theory, how can we solve it in practice? In this paper, we address these questions by first characterizing those alternative formulations and highlighting how the problem, even when tractable in theory, is non-trivial in practice. Then, we present a scalable, decentralized, trust-region policy search algorithm to address the problem in practical settings. Finally, we provide numerical validations to both corroborate the theoretical findings and pave the way for unsupervised multi-agent reinforcement learning via task-agnostic exploration in challenging domains, showing that optimizing for a specific objective, namely mixture entropy, provides an excellent trade-off between tractability and performances.
Authors: Vinh Tong, Hoang Trung-Dung, Anji Liu, Guy Van den Broeck, Mathias Niepert
Abstract: In domains such as molecular and protein generation, physical systems exhibit inherent symmetries that are critical to model. Two main strategies have emerged for learning invariant distributions: designing equivariant network architectures and using data augmentation to approximate equivariance. While equivariant architectures preserve symmetry by design, they often involve greater complexity and pose optimization challenges. Data augmentation, on the other hand, offers flexibility but may fall short in fully capturing symmetries. Our framework enhances both approaches by reducing training variance and providing a provably lower-variance gradient estimator. We achieve this by interpreting data augmentation as a Monte Carlo estimator of the training gradient and applying Rao-Blackwellization. This leads to more stable optimization, faster convergence, and reduced variance, all while requiring only a single forward and backward pass per sample. We also present a practical implementation of this estimator incorporating the loss and sampling procedure through a method we call Orbit Diffusion. Theoretically, we guarantee that our loss admits equivariant minimizers. Empirically, Orbit Diffusion achieves state-of-the-art results on GEOM-QM9 for molecular conformation generation, improves crystal structure prediction, and advances text-guided crystal generation on the Perov-5 and MP-20 benchmarks. Additionally, it enhances protein designability in protein structure generation. Code is available at: https://github.com/vinhsuhi/Orbit-Diffusion.git.
Authors: Delaram Pirhayati, Arlei Silva
Abstract: Graph Anomaly Detection (GAD) has demonstrated great effectiveness in identifying unusual patterns within graph-structured data. However, while labeled anomalies are often scarce in emerging applications, existing supervised GAD approaches are either ineffective or not applicable when moved across graph domains due to distribution shifts and heterogeneous feature spaces. To address these challenges, we present GADT3, a novel test-time training framework for cross-domain GAD. GADT3 combines supervised and self-supervised learning during training while adapting to a new domain during test time using only self-supervised learning by leveraging a homophily-based affinity score that captures domain-invariant properties of anomalies. Our framework introduces four key innovations to cross-domain GAD: an effective self-supervision scheme, an attention-based mechanism that dynamically learns edge importance weights during message passing, domain-specific encoders for handling heterogeneous features, and class-aware regularization to address imbalance. Experiments across multiple cross-domain settings demonstrate that GADT3 significantly outperforms existing approaches, achieving average improvements of over 8.2\% in AUROC and AUPRC compared to the best competing model.
Authors: Stefan Hegselmann, Georg von Arnim, Tillmann Rheude, Noel Kronenberg, David Sontag, Gerhard Hindricks, Roland Eils, Benjamin Wild
Abstract: Electronic Health Records (EHRs) offer considerable potential for clinical prediction, but their complexity and heterogeneity present significant challenges for traditional machine learning methods. Recently, domain-specific EHR foundation models trained on large volumes of unlabeled EHR data have shown improved predictive accuracy and generalization. However, their development is constrained by limited access to diverse, high-quality datasets, and inconsistencies in coding standards and clinical practices. In this study, we explore the use of general-purpose Large Language Models (LLMs) to encode EHR into high-dimensional representations for downstream clinical prediction tasks. We convert structured EHR data into Markdown-formatted plain-text documents by replacing medical codes with natural language descriptions. This enables the use of LLMs and their extensive semantic understanding and generalization capabilities as effective encoders of EHRs without requiring access to private medical training data. We show that LLM-based embeddings can often match or even surpass the performance of a specialized EHR foundation model, CLMBR-T-Base, across 15 diverse clinical tasks from the EHRSHOT benchmark. Critically, our approach requires no institution-specific training and can incorporate any medical code with a text description, whereas existing EHR foundation models operate on fixed vocabularies and can only process codes seen during pretraining. To demonstrate generalizability, we further evaluate the approach on the UK Biobank (UKB) cohort, out-of-domain for CLMBR-T-Base, whose fixed vocabulary covers only 16% of UKB codes. Notably, an LLM-based model achieves superior performance for prediction of disease onset, hospitalization, and mortality, indicating robustness to population and coding shifts.
Authors: Jakub Binkowski, Denis Janiak, Albert Sawczyn, Bogdan Gabrys, Tomasz Kajdanowicz
Abstract: Large Language Models (LLMs) have demonstrated remarkable performance across various tasks but remain prone to hallucinations. Detecting hallucinations is essential for safety-critical applications, and recent methods leverage attention map properties to this end, though their effectiveness remains limited. In this work, we investigate the spectral features of attention maps by interpreting them as adjacency matrices of graph structures. We propose the $\text{LapEigvals}$ method, which utilises the top-$k$ eigenvalues of the Laplacian matrix derived from the attention maps as an input to hallucination detection probes. Empirical evaluations demonstrate that our approach achieves state-of-the-art hallucination detection performance among attention-based methods. Extensive ablation studies further highlight the robustness and generalisation of $\text{LapEigvals}$, paving the way for future advancements in the hallucination detection domain.
Authors: Wenlong Chen, Bolian Li, Ruqi Zhang, Yingzhen Li
Abstract: Bayesian methods have shown success in deep learning applications. For example, in predictive tasks, Bayesian neural networks leverage Bayesian reasoning of model uncertainty to improve the reliability and uncertainty awareness of deep neural networks. In generative modeling domain, many widely used deep generative models, such as deep latent variable models, require approximate Bayesian inference to infer their latent variables for the training. In this chapter, we provide an introduction to approximate inference techniques as Bayesian computation methods applied to deep learning models, with a focus on Bayesian neural networks and deep generative models. We review two arguably most popular approximate Bayesian computational methods, stochastic gradient Markov chain Monte Carlo (SG-MCMC) and variational inference (VI), and explain their unique challenges in posterior inference as well as the solutions when applied to deep learning models.
Authors: Jin Peng Zhou, Kaiwen Wang, Jonathan Chang, Zhaolin Gao, Nathan Kallus, Kilian Q. Weinberger, Kiant\'e Brantley, Wen Sun
Abstract: Reinforcement learning (RL) post-training is crucial for LLM alignment and reasoning, but existing policy-based methods, such as PPO and DPO, can fall short of fixing shortcuts inherited from pre-training. In this work, we introduce $Q\sharp$, a value-based algorithm for KL-regularized RL that guides the reference policy using the optimal regularized $Q$ function. We propose to learn the optimal $Q$ function using distributional RL on an aggregated online dataset. Unlike prior value-based baselines that guide the model using unregularized $Q$-values, our method is theoretically principled and provably learns the optimal policy for the KL-regularized RL problem. Empirically, $Q\sharp$ outperforms prior baselines in math reasoning benchmarks while maintaining a smaller KL divergence to the reference policy. Theoretically, we establish a reduction from KL-regularized RL to no-regret online learning, providing the first bounds for deterministic MDPs under only realizability. Thanks to distributional RL, our bounds are also variance-dependent and converge faster when the reference policy has small variance. In sum, our results highlight $Q\sharp$ as an effective approach for post-training LLMs, offering both improved performance and theoretical guarantees. The code can be found at https://github.com/jinpz/q_sharp.
Authors: Marko Medvedev, Kaifeng Lyu, Dingli Yu, Sanjeev Arora, Zhiyuan Li, Nathan Srebro
Abstract: Weak-to-Strong Generalization (Burns et al., 2024) is the phenomenon whereby a strong student, say GPT-4, learns a task from a weak teacher, say GPT-2, and ends up significantly outperforming the teacher. We show that this phenomenon does not require a strong learner like GPT-4. We consider student and teacher that are random feature models, described by two-layer networks with a random and fixed bottom layer and a trained top layer. A "weak" teacher, with a small number of units (i.e. random features), is trained on the population, and a "strong" student, with a much larger number of units (i.e. random features), is trained only on labels generated by the weak teacher. We demonstrate, prove, and understand how the student can outperform the teacher, even though trained only on data labeled by the teacher. We also explain how such weak-to-strong generalization is enabled by early stopping. Importantly, we also show the quantitative limits of weak-to-strong generalization in this model.
Authors: Xi Zhu, Haochen Xue, Ziwei Zhao, Wujiang Xu, Jingyuan Huang, Minghao Guo, Qifan Wang, Kaixiong Zhou, Imran Razzak, Yongfeng Zhang
Abstract: Text-Attributed Graphs (TAGs), where each node is associated with text descriptions, are ubiquitous in real-world scenarios. They typically exhibit distinctive structure and domain-specific knowledge, motivating the development of a Graph Foundation Model (GFM) that generalizes across diverse graphs and tasks. Despite large efforts to integrate Large Language Models (LLMs) and Graph Neural Networks (GNNs) for TAGs, existing approaches suffer from decoupled architectures with two-stage alignment, limiting their synergistic potential. Even worse, existing methods assign out-of-vocabulary (OOV) tokens to graph nodes, leading to graph-specific semantics, token explosion, and incompatibility with task-oriented prompt templates, which hinders cross-graph and cross-task transferability. To address these challenges, we propose PromptGFM, a versatile GFM for TAGs grounded in graph vocabulary learning. PromptGFM comprises two key components: (1) Graph Understanding Module, which explicitly prompts LLMs to replicate the finest GNN workflow within the text space, facilitating seamless GNN-LLM integration and elegant graph-text alignment; (2) Graph Inference Module, which establishes a language-based graph vocabulary ensuring expressiveness, transferability, and scalability, enabling readable instructions for LLM fine-tuning. Extensive experiments demonstrate our superiority and transferability across diverse graphs and tasks. The code is available at this: https://github.com/agiresearch/PromptGFM.
Authors: Mohammad Tariqul Islam, Jason W. Fleischer
Abstract: Uniform manifold approximation and projection (UMAP) is among the most popular neighbor embedding methods. The method relies on attractive and repulsive forces among high-dimensional data points to obtain a low-dimensional embedding. In this paper, we analyze the forces to reveal their effects on cluster formations and visualization and compare UMAP to its contemporaries. Repulsion emphasizes differences, controlling cluster boundaries and inter-cluster distance. Attraction is more subtle, as attractive tension between points can manifest simultaneously as attraction and repulsion in the lower-dimensional mapping. This explains the need for learning rate annealing and motivates the different treatments between attractive and repulsive terms. Moreover, by modifying attraction, we improve the consistency of cluster formation under random initialization. Overall, our analysis makes UMAP and similar embedding methods more interpretable, more robust, and more accurate.
Authors: Yu Qiao, Phuong-Nam Tran, Ji Su Yoon, Loc X. Nguyen, Eui-Nam Huh, Dusit Niyato, Choong Seon Hong
Abstract: Reinforcement learning (RL)-based large language models (LLMs), such as ChatGPT, DeepSeek, and Grok-3, have attracted widespread attention for their remarkable capabilities in multimodal data understanding. Meanwhile, the rapid expansion of information services has led to a growing demand for AI-enabled wireless networks. The open-source DeepSeek models are famous for their innovative designs, such as large-scale pure RL and cost-efficient training, which make them well-suited for practical deployment in wireless networks. By integrating DeepSeek-style LLMs with wireless infrastructures, a synergistic opportunity arises: the DeepSeek-style LLMs enhance network optimization with strong reasoning and decision-making abilities, while wireless infrastructure enables the broad deployment of these models. Motivated by this convergence, this survey presents a comprehensive DeepSeek-inspired exploration of RL-based LLMs in the context of wireless networks. We begin by reviewing key techniques behind network optimization to establish a foundation for understanding DeepSeek-style LLM integration. Next, we examine recent advancements in RL-based LLMs, using DeepSeek models as a representative example. Building on this, we explore the synergy between the two domains, highlighting motivations, challenges, and potential solutions. Finally, we highlight emerging directions for integrating LLMs with wireless networks, such as quantum, on-device, and neural-symbolic LLM models, as well as embodied AI agents. Overall, this survey offers a comprehensive examination of the interplay between DeepSeek-style LLMs and wireless networks, demonstrating how these domains can mutually enhance each other to drive innovation.
Authors: Rohan Bhatnagar, Ling Liang, Krish Patel, Haizhao Yang
Abstract: Motivated by the remarkable success of artificial intelligence (AI) across diverse fields, the application of AI to solve scientific problems, often formulated as partial differential equations (PDEs), has garnered increasing attention. While most existing research concentrates on theoretical properties (such as well-posedness, regularity, and continuity) of the solutions, alongside direct AI-driven methods for solving PDEs, the challenge of uncovering symbolic relationships within these equations remains largely unexplored. In this paper, we propose leveraging large language models (LLMs) to learn such symbolic relationships. Our results demonstrate that LLMs can effectively predict the operators involved in PDE solutions by utilizing the symbolic information in the PDEs both theoretically and numerically. Furthermore, we show that discovering these symbolic relationships can substantially improve both the efficiency and accuracy of symbolic machine learning for finding analytical approximation of PDE solutions, delivering a fully interpretable solution pipeline. This work opens new avenues for understanding the symbolic structure of scientific problems and advancing their solution processes.
Authors: Kevin Vora, Yu Zhang
Abstract: In this paper, we propose a new solution to reward adaptation (RA) in reinforcement learning, where the agent adapts to a target reward function based on one or more existing source behaviors learned a priori under the same domain dynamics but different reward functions. While learning the target behavior from scratch is possible, it is often inefficient given the available source behaviors. Our work introduces a new approach to RA through the manipulation of Q-functions. Assuming the target reward function is a known function of the source reward functions, we compute bounds on the Q-function and present an iterative process (akin to value iteration) to tighten these bounds. Such bounds enable action pruning in the target domain before learning even starts. We refer to this method as "Q-Manipulation" (Q-M). The iteration process assumes access to a lite-model, which is easy to provide or learn. We formally prove that Q-M, under discrete domains, does not affect the optimality of the returned policy and show that it is provably efficient in terms of sample complexity in a probabilistic sense. Q-M is evaluated in a variety of synthetic and simulation domains to demonstrate its effectiveness, generalizability, and practicality.
Authors: Zhuoyuan Wang, Raffaele Romagnoli, Saviz Mowlavi, Yorie Nakahira
Abstract: Physics-informed machine learning offers a promising framework for solving complex partial differential equations (PDEs) by integrating observational data with governing physical laws. However, learning PDEs with varying parameters and changing initial conditions and boundary conditions (ICBCs) with theoretical guarantees remains an open challenge. In this paper, we propose physics-informed deep B-spline networks, a novel technique that approximates a family of PDEs with different parameters and ICBCs by learning B-spline control points through neural networks. The proposed B-spline representation reduces the learning task from predicting solution values over the entire domain to learning a compact set of control points, enforces strict compliance to initial and Dirichlet boundary conditions by construction, and enables analytical computation of derivatives for incorporating PDE residual losses. While existing approximation and generalization theories are not applicable in this setting - where solutions of parametrized PDE families are represented via B-spline bases - we fill this gap by showing that B-spline networks are universal approximators for such families under mild conditions. We also derive generalization error bounds for physics-informed learning in both elliptic and parabolic PDE settings, establishing new theoretical guarantees. Finally, we demonstrate in experiments that the proposed technique has improved efficiency-accuracy tradeoffs compared to existing techniques in a dynamical system problem with discontinuous ICBCs and can handle nonhomogeneous ICBCs and non-rectangular domains.
Authors: Mingchen Li, Di Zhuang, Keyu Chen, Dumindu Samaraweera, Morris Chang
Abstract: Link prediction in graph data uses various algorithms and Graph Nerual Network (GNN) models to predict potential relationships between graph nodes. These techniques have found widespread use in numerous real-world applications, including recommendation systems, community/social networks, and biological structures. However, recent research has highlighted the vulnerability of GNN models to adversarial attacks, such as poisoning and evasion attacks. Addressing the vulnerability of GNN models is crucial to ensure stable and robust performance in GNN applications. Although many works have focused on enhancing the robustness of node classification on GNN models, the robustness of link prediction has received less attention. To bridge this gap, this article introduces an unweighted graph poisoning attack that leverages meta-learning with weighted scheme strategies to degrade the link prediction performance of GNNs. We conducted comprehensive experiments on diverse datasets across multiple link prediction applications to evaluate the proposed method and its parameters, comparing it with existing approaches under similar conditions. Our results demonstrate that our approach significantly reduces link prediction performance and consistently outperforms other state-of-the-art baselines.
Authors: Wei-Jer Chang, Wei Zhan, Masayoshi Tomizuka, Manmohan Chandraker, Francesco Pittaluga
Abstract: Evaluating autonomous vehicles with controllability enables scalable testing in counterfactual or structured settings, enhancing both efficiency and safety. We introduce LangTraj, a language-conditioned scene-diffusion model that simulates the joint behavior of all agents in traffic scenarios. By conditioning on natural language inputs, LangTraj provides flexible and intuitive control over interactive behaviors, generating nuanced and realistic scenarios. Unlike prior approaches that depend on domain-specific guidance functions, LangTraj incorporates language conditioning during training, facilitating more intuitive traffic simulation control. We propose a novel closed-loop training strategy for diffusion models, explicitly tailored to enhance stability and realism during closed-loop simulation. To support language-conditioned simulation, we develop Inter-Drive, a large-scale dataset with diverse and interactive labels for training language-conditioned diffusion models. Our dataset is built upon a scalable pipeline for annotating agent-agent interactions and single-agent behaviors, ensuring rich and varied supervision. Validated on the Waymo Open Motion Dataset, LangTraj demonstrates strong performance in realism, language controllability, and language-conditioned safety-critical simulation, establishing a new paradigm for flexible and scalable autonomous vehicle testing. Project Website: https://langtraj.github.io/
Authors: Mete Erdogan, Cengiz Pehlevan, Alper T. Erdogan
Abstract: We introduce Error Broadcast and Decorrelation (EBD), a novel learning framework for neural networks that addresses credit assignment by directly broadcasting output errors to individual layers, circumventing weight transport of backpropagation. EBD is rigorously grounded in the stochastic orthogonality property of Minimum Mean Square Error estimators. This fundamental principle states that the error of an optimal estimator is orthogonal to functions of the input. Guided by this insight, EBD defines layerwise loss functions that directly penalize correlations between layer activations and output errors, thereby establishing a principled foundation for error broadcasting. This theoretically sound mechanism naturally leads to the experimentally observed three-factor learning rule and integrates with biologically plausible frameworks to enhance performance and plausibility. Numerical experiments demonstrate EBD's competitive or better performance against other error-broadcast methods on benchmark datasets. Our findings establish EBD as an efficient, biologically plausible, and principled alternative for neural network training. The implementation is available at: https://github.com/meterdogan07/error-broadcast-decorrelation.
URLs: https://github.com/meterdogan07/error-broadcast-decorrelation.
Authors: Vasily Ilin, Peter Sushko, Jingwei Hu
Abstract: We propose a deterministic sampling framework using Score-Based Transport Modeling for sampling an unnormalized target density $\pi$ given only its score $\nabla \log \pi$. Our method approximates the Wasserstein gradient flow on $\mathrm{KL}(f_t\|\pi)$ by learning the time-varying score $\nabla \log f_t$ on the fly using score matching. While having the same marginal distribution as Langevin dynamics, our method produces smooth deterministic trajectories, resulting in monotone noise-free convergence. We prove that our method dissipates relative entropy at the same rate as the exact gradient flow, provided sufficient training. Numerical experiments validate our theoretical findings: our method converges at the optimal rate, has smooth trajectories, and is often more sample efficient than its stochastic counterpart. Experiments on high-dimensional image data show that our method produces high-quality generations in as few as 15 steps and exhibits natural exploratory behavior. The memory and runtime scale linearly in the sample size.
Authors: Maryam Farhadizadeh, Maria Weymann, Michael Bla{\ss}, Johann Kraus, Christopher Gundler, Sebastian Walter, Noah Hempen, Harald Binder, Nadine Binder
Abstract: Multimodal data modeling has emerged as a powerful approach in clinical research, enabling the integration of diverse data types such as imaging, genomics, wearable sensors, and electronic health records. Despite its potential to improve diagnostic accuracy and support personalized care, modeling such heterogeneous data presents significant technical challenges. This systematic review synthesizes findings from 69 studies to identify common obstacles, including missing modalities, limited sample sizes, dimensionality imbalance, interpretability issues, and finding the optimal fusion techniques. We highlight recent methodological advances, such as transfer learning, generative models, attention mechanisms, and neural architecture search that offer promising solutions. By mapping current trends and innovations, this review provides a comprehensive overview of the field and offers practical insights to guide future research and development in multimodal modeling for medical applications.
Authors: Yifei He, Siqi Zeng, Yuzheng Hu, Rui Yang, Tong Zhang, Han Zhao
Abstract: Model merging provides a scalable alternative to multi-task training by combining specialized finetuned models through parameter arithmetic, enabling efficient deployment without the need for joint training or access to all task data. While recent methods have shown promise, existing evaluations are limited in both model scale and task diversity, leaving open questions about their applicability to large, domain-specialized LLMs. To tackle the challenges, we introduce MergeBench, a comprehensive evaluation suite designed to assess model merging at scale. MergeBench builds on state-of-the-art open-source language models, including Llama and Gemma families at 2B to 9B scales, and covers five key domains: instruction following, mathematics, multilingual understanding, coding and safety. We standardize finetuning and evaluation protocols, and assess eight representative merging methods across multi-task performance, forgetting and runtime efficiency. Based on extensive experiments, we provide practical guidelines for algorithm selection and share insights showing that model merging tends to perform better on stronger base models, with techniques such as merging coefficient tuning and sparsification improving knowledge retention. However, several challenges remain, including the computational cost on large models, the gap for in-domain performance compared to multi-task models, and the underexplored role of model merging in standard LLM training pipelines. We hope MergeBench provides a foundation for future research to advance the understanding and practical application of model merging. Our project page is at \href{https://yifei-he.github.io/mergebench/}{https://yifei-he.github.io/mergebench/}.
URLs: https://yifei-he.github.io/mergebench/, https://yifei-he.github.io/mergebench/
Authors: Gina Wong, Drew Prinster, Suchi Saria, Rama Chellappa, Anqi Liu
Abstract: Conformal prediction quantifies the uncertainty of machine learning models by augmenting point predictions with valid prediction sets. For complex scenarios involving multiple trials, models, or data sources, conformal prediction sets can be aggregated to create a prediction set that captures the overall uncertainty, often improving precision. However, aggregating multiple prediction sets with individual $1-\alpha$ coverage inevitably weakens the overall guarantee, typically resulting in $1-2\alpha$ worst-case coverage. In this work, we propose a framework for the weighted aggregation of prediction sets, where weights are assigned to each prediction set based on their contribution. Our framework offers flexible control over how the sets are aggregated, achieving tighter coverage bounds that interpolate between the $1-2\alpha$ guarantee of the combined models and the $1-\alpha$ guarantee of an individual model depending on the distribution of weights. Importantly, our framework generalizes to data-dependent weights, as we derive a procedure for weighted aggregation that maintains finite-sample validity even when the weights depend on the data. This extension makes our framework broadly applicable to settings where weights are learned, such as mixture-of-experts (MoE), and we demonstrate through experiments in the MoE setting that our methods achieve adaptive coverage.
Authors: Fran\c{c}ois Bachoc (LPP), J\'er\^ome Bolte (TSE-R), Ryan Boustany (TSE-R), Jean-Michel Loubes (IMT)
Abstract: Despite growing empirical evidence of bias amplification in machine learning, its theoretical foundations remain poorly understood. We develop a formal framework for majority-minority learning tasks, showing how standard training can favor majority groups and produce stereotypical predictors that neglect minority-specific features. Assuming population and variance imbalance, our analysis reveals three key findings: (i) the close proximity between ``full-data'' and stereotypical predictors, (ii) the dominance of a region where training the entire model tends to merely learn the majority traits, and (iii) a lower bound on the additional training required. Our results are illustrated through experiments in deep learning for tabular and image classification tasks.
Authors: Baiting Chen, Tong Zhu, Jiale Han, Lexin Li, Gang Li, Xiaowu Dai
Abstract: Large Language Models (LLMs) have demonstrated strong generative capabilities but remain prone to inconsistencies and hallucinations. We introduce Peer Elicitation Games (PEG), a training-free, game-theoretic framework for aligning LLMs through a peer elicitation mechanism involving a generator and multiple discriminators instantiated from distinct base models. Discriminators interact in a peer evaluation setting, where utilities are computed using a determinant-based mutual information score that provably incentivizes truthful reporting without requiring ground-truth labels. We establish theoretical guarantees showing that each agent, via online learning, achieves sublinear regret in the sense their cumulative performance approaches that of the best fixed truthful strategy in hindsight. Moreover, we prove last-iterate convergence to a truthful Nash equilibrium, ensuring that the actual policies used by agents converge to stable and truthful behavior over time. Empirical evaluations across multiple benchmarks demonstrate significant improvements in factual accuracy. These results position PEG as a practical approach for eliciting truthful behavior from LLMs without supervision or fine-tuning.
Authors: Aditya T. Vadlamani, Anutam Srinivasan, Pranav Maneriker, Ali Payani, Srinivasan Parthasarathy
Abstract: Conformal Prediction (CP) is a popular method for uncertainty quantification with machine learning models. While conformal prediction provides probabilistic guarantees regarding the coverage of the true label, these guarantees are agnostic to the presence of sensitive attributes within the dataset. In this work, we formalize \textit{Conformal Fairness}, a notion of fairness using conformal predictors, and provide a theoretically well-founded algorithm and associated framework to control for the gaps in coverage between different sensitive groups. Our framework leverages the exchangeability assumption (implicit to CP) rather than the typical IID assumption, allowing us to apply the notion of Conformal Fairness to data types and tasks that are not IID, such as graph data. Experiments were conducted on graph and tabular datasets to demonstrate that the algorithm can control fairness-related gaps in addition to coverage aligned with theoretical expectations.
Authors: Mingyang Liu, Gabriele Farina, Asuman Ozdaglar
Abstract: Post-training has demonstrated its importance in enhancing the reasoning capabilities of large language models (LLMs). The primary post-training methods can be categorized into supervised fine-tuning (SFT) and reinforcement fine-tuning (RFT). SFT is efficient and well-suited for small language models, but it may lead to overfitting and limit the reasoning abilities of larger models. In contrast, RFT generally yields better generalization but depends heavily on the strength of the base model. To address the limitations of SFT and RFT, we propose Unified Fine-Tuning (UFT), a novel post-training paradigm that unifies SFT and RFT into a single, integrated process. UFT enables the model to effectively explore solutions while incorporating informative supervision signals, bridging the gap between memorizing and thinking underlying existing methods. Notably, UFT outperforms both SFT and RFT in general, regardless of model sizes. Furthermore, we theoretically prove that UFT breaks RFT's inherent exponential sample complexity bottleneck, showing for the first time that unified training can exponentially accelerate convergence on long-horizon reasoning tasks.
Authors: Aleksandra Franz, Hao Wei, Luca Guastoni, Nils Thuerey
Abstract: Despite decades of advancements, the simulation of fluids remains one of the most challenging areas of in scientific computing. Supported by the necessity of gradient information in deep learning, differentiable simulators have emerged as an effective tool for optimization and learning in physics simulations. In this work, we present our fluid simulator PICT, a differentiable pressure-implicit solver coded in PyTorch with Graphics-processing-unit (GPU) support. We first verify the accuracy of both the forward simulation and our derived gradients in various established benchmarks like lid-driven cavities and turbulent channel flows before we show that the gradients provided by our solver can be used to learn complicated turbulence models in 2D and 3D. We apply both supervised and unsupervised training regimes using physical priors to match flow statistics. In particular, we learn a stable sub-grid scale (SGS) model for a 3D turbulent channel flow purely based on reference statistics. The low-resolution corrector trained with our solver runs substantially faster than the highly resolved references, while keeping or even surpassing their accuracy. Finally, we give additional insights into the physical interpretation of different solver gradients, and motivate a physically informed regularization technique. To ensure that the full potential of PICT can be leveraged, it is published as open source: https://github.com/tum-pbs/PICT.
Authors: Tim Genewein, Li Kevin Wenliang, Jordi Grau-Moya, Anian Ruoss, Laurent Orseau, Marcus Hutter
Abstract: Prompting is one of the main ways to adapt a pretrained model to target tasks. Besides manually constructing prompts, many prompt optimization methods have been proposed in the literature. Method development is mainly empirically driven, with less emphasis on a conceptual understanding of prompting. In this paper we discuss how optimal prompting can be understood through a Bayesian view, which also implies some fundamental limitations of prompting that can only be overcome by tuning weights. The paper explains in detail how meta-trained neural networks behave as Bayesian predictors over the pretraining distribution, whose hallmark feature is rapid in-context adaptation. Optimal prompting can be studied formally as conditioning these Bayesian predictors, yielding criteria for target tasks where optimal prompting is and is not possible. We support the theory with educational experiments on LSTMs and Transformers, where we compare different versions of prefix-tuning and different weight-tuning methods. We also confirm that soft prefixes, which are sequences of real-valued vectors outside the token alphabet, can lead to very effective prompts for trained and even untrained networks by manipulating activations in ways that are not achievable by hard tokens. This adds an important mechanistic aspect beyond the conceptual Bayesian theory.
Authors: Zhining Liu, Zihao Li, Ze Yang, Tianxin Wei, Jian Kang, Yada Zhu, Hendrik Hamann, Jingrui He, Hanghang Tong
Abstract: Class-imbalanced learning (CIL) on tabular data is important in many real-world applications where the minority class holds the critical but rare outcomes. In this paper, we present CLIMB, a comprehensive benchmark for class-imbalanced learning on tabular data. CLIMB includes 73 real-world datasets across diverse domains and imbalance levels, along with unified implementations of 29 representative CIL algorithms. Built on a high-quality open-source Python package with unified API designs, detailed documentation, and rigorous code quality controls, CLIMB supports easy implementation and comparison between different CIL algorithms. Through extensive experiments, we provide practical insights on method accuracy and efficiency, highlighting the limitations of naive rebalancing, the effectiveness of ensembles, and the importance of data quality. Our code, documentation, and examples are available at https://github.com/ZhiningLiu1998/imbalanced-ensemble.
URLs: https://github.com/ZhiningLiu1998/imbalanced-ensemble.
Authors: Guiquan Sun, Xikun Zhang, Jingchao Ni, Dongjin Song
Abstract: Heterogeneous graph neural networks have seen rapid progress in web applications such as social networks, knowledge graphs, and recommendation systems, driven by the inherent heterogeneity of web data. However, existing methods typically assume static graphs, while real-world graphs are continuously evolving. This dynamic nature requires models to adapt to new data while preserving existing knowledge. To this end, this work introduces HERO (HEterogeneous continual gRaph learning via meta-knOwledge distillation), a unified framework for continual learning on heterogeneous graphs. HERO employs meta-adaptation, a gradient-based meta-learning strategy that provides directional guidance for rapid adaptation to new tasks with limited samples. To enable efficient and effective knowledge reuse, we propose DiSCo (Diversity Sampling with semantic Consistency), a heterogeneity-aware sampling method that maximizes target node diversity and expands subgraphs along metapaths, retaining critical semantic and structural information with minimal overhead. Furthermore, HERO incorporates heterogeneity-aware knowledge distillation, which aligns knowledge at both the node and semantic levels to balance adaptation and retention across tasks. Extensive experiments on four web-related heterogeneous graph benchmarks demonstrate that HERO substantially mitigates catastrophic forgetting while achieving efficient and consistent knowledge reuse in dynamic web environments.
Authors: Mengqi Liao, Xiangyu Xi, Ruinian Chen, Jia Leng, Yangen Hu, Ke Zeng, Shuai Liu, Huaiyu Wan
Abstract: Reasoning large language models (LLMs) excel in complex tasks, which has drawn significant attention to reinforcement learning (RL) for LLMs. However, existing approaches allocate an equal number of rollouts to all questions during the RL process, which is inefficient. This inefficiency stems from the fact that training on simple questions yields limited gains, whereas more rollouts are needed for challenging questions to sample correct answers. Furthermore, while RL improves response precision, it limits the model's exploration ability, potentially resulting in a performance cap below that of the base model prior to RL. To address these issues, we propose a mechanism for dynamically allocating rollout budgets based on the difficulty of the problems, enabling more efficient RL training. Additionally, we introduce an adaptive dynamic temperature adjustment strategy to maintain the entropy at a stable level, thereby encouraging sufficient exploration. This enables LLMs to improve response precision while preserving their exploratory ability to uncover potential correct pathways. The code and data is available on: https://github.com/LiaoMengqi/E3-RL4LLMs
Authors: Itamar Harel, Yonathan Wolanowsky, Gal Vardi, Nathan Srebro, Daniel Soudry
Abstract: We analyze the generalization gap (gap between the training and test errors) when training a potentially over-parametrized model using a Markovian stochastic training algorithm, initialized from some distribution $\theta_0 \sim p_0$. We focus on Langevin dynamics with a positive temperature $\beta^{-1}$, i.e. gradient descent on a training loss $L$ with infinitesimal step size, perturbed with $\beta^{-1}$-variances Gaussian noise, and lightly regularized or bounded. There, we bound the generalization gap, at any time during training, by $\sqrt{(\beta\mathbb{E} L (\theta_0) + \log(1/\delta))/N}$ with probability $1-\delta$ over the dataset, where $N$ is the sample size, and $\mathbb{E} L (\theta_0) =O(1)$ with standard initialization scaling. In contrast to previous guarantees, we have no dependence on either training time or reliance on mixing, nor a dependence on dimensionality, gradient norms, or any other properties of the loss or model. This guarantee follows from a general analysis of any Markov process-based training that has a Gibbs-style stationary distribution. The proof is surprisingly simple, once we observe that the marginal distribution divergence from initialization remains bounded, as implied by a generalized second law of thermodynamics.
Authors: Pingzhi Li, Zhen Tan, Mohan Zhang, Huaizhi Qu, Huan Liu, Tianlong Chen
Abstract: Large Language Models (LLMs) represent substantial intellectual and economic investments, yet their effectiveness can inadvertently facilitate model imitation via knowledge distillation (KD). In practical scenarios, competitors can distill proprietary LLM capabilities by simply observing publicly accessible outputs, akin to reverse-engineering a complex performance by observation alone. Existing protective methods like watermarking only identify imitation post-hoc, while other defenses assume the student model mimics the teacher's internal logits, rendering them ineffective against distillation purely from observed output text. This paper confronts the challenge of actively protecting LLMs within the realistic constraints of API-based access. We introduce an effective and efficient Defensive Output Generation (DOGe) strategy that subtly modifies the output behavior of an LLM. Its outputs are accurate and useful for legitimate users, yet are designed to be misleading for distillation, significantly undermining imitation attempts. We achieve this by fine-tuning only the final linear layer of the teacher LLM with an adversarial loss. This targeted training approach anticipates and disrupts distillation attempts during inference time. Our experiments show that, while preserving the performance of the teacher model, student models distilled from the defensively generated outputs demonstrate catastrophically reduced performance, demonstrating DOGe as a practical safeguard against KD-based model imitation.
Authors: Leander Diaz-Bone, Marco Bagatella, Jonas H\"ubotter, Andreas Krause
Abstract: Sparse-reward reinforcement learning (RL) can model a wide range of highly complex tasks. Solving sparse-reward tasks is RL's core premise, requiring efficient exploration coupled with long-horizon credit assignment, and overcoming these challenges is key for building self-improving agents with superhuman ability. Prior work commonly explores with the objective of solving many sparse-reward tasks, making exploration of individual high-dimensional, long-horizon tasks intractable. We argue that solving such challenging tasks requires solving simpler tasks that are relevant to the target task, i.e., whose achieval will teach the agent skills required for solving the target task. We demonstrate that this sense of direction, necessary for effective exploration, can be extracted from existing RL algorithms, without leveraging any prior information. To this end, we propose a method for directed sparse-reward goal-conditioned very long-horizon RL (DISCOVER), which selects exploratory goals in the direction of the target task. We connect DISCOVER to principled exploration in bandits, formally bounding the time until the target task becomes achievable in terms of the agent's initial distance to the target, but independent of the volume of the space of all tasks. We then perform a thorough evaluation in high-dimensional environments. We find that the directed goal selection of DISCOVER solves exploration problems that are beyond the reach of prior state-of-the-art exploration methods in RL.
Authors: Mete Erdogan, Francesco Tonin, Volkan Cevher
Abstract: The high inference demands of transformer-based Large Language Models (LLMs) pose substantial challenges in their deployment. To this end, we introduce Neural Block Linearization (NBL), a novel framework for accelerating transformer model inference by replacing self-attention layers with linear approximations derived from Linear Minimum Mean Squared Error estimators. NBL leverages Canonical Correlation Analysis to compute a theoretical upper bound on the approximation error. Then, we use this bound as a criterion for substitution, selecting the LLM layers with the lowest linearization error. NBL can be efficiently applied to pre-trained LLMs without the need for fine-tuning. In experiments, NBL achieves notable computational speed-ups while preserving competitive accuracy on multiple reasoning benchmarks. For instance, applying NBL to 12 self-attention layers in DeepSeek-R1-Distill-Llama-8B increases the inference speed by 32% with less than 1% accuracy trade-off, making it a flexible and promising solution to improve the inference efficiency of LLMs. The implementation is available at: https://github.com/LIONS-EPFL/NBL.
Authors: Paul Krzakala, Gabriel Melo, Charlotte Laclau, Florence d'Alch\'e-Buc, R\'emi Flamary
Abstract: Although graph-based learning has attracted a lot of attention, graph representation learning is still a challenging task whose resolution may impact key application fields such as chemistry or biology. To this end, we introduce GRALE, a novel graph autoencoder that encodes and decodes graphs of varying sizes into a shared embedding space. GRALE is trained using an Optimal Transport-inspired loss that compares the original and reconstructed graphs and leverages a differentiable node matching module, which is trained jointly with the encoder and decoder. The proposed attention-based architecture relies on Evoformer, the core component of AlphaFold, which we extend to support both graph encoding and decoding. We show, in numerical experiments on simulated and molecular data, that GRALE enables a highly general form of pre-training, applicable to a wide range of downstream tasks, from classification and regression to more complex tasks such as graph interpolation, editing, matching, and prediction.
Authors: Marco Fumero, Luca Moschella, Emanuele Rodol\`a, Francesco Locatello
Abstract: Neural networks transform high-dimensional data into compact, structured representations, often modeled as elements of a lower dimensional latent space. In this paper, we present an alternative interpretation of neural models as dynamical systems acting on the latent manifold. Specifically, we show that autoencoder models implicitly define a latent vector field on the manifold, derived by iteratively applying the encoding-decoding map, without any additional training. We observe that standard training procedures introduce inductive biases that lead to the emergence of attractor points within this vector field. Drawing on this insight, we propose to leverage the vector field as a representation for the network, providing a novel tool to analyze the properties of the model and the data. This representation enables to: (i) analyze the generalization and memorization regimes of neural models, even throughout training; (ii) extract prior knowledge encoded in the network's parameters from the attractors, without requiring any input data; (iii) identify out-of-distribution samples from their trajectories in the vector field. We further validate our approach on vision foundation models, showcasing the applicability and effectiveness of our method in real-world scenarios.
Authors: Andrei Kozyrev, Nikita Khramov, Gleb Solovev, Anton Podkopaev
Abstract: Interactive Theorem Proving was repeatedly shown to be fruitful combined with Generative Artificial Intelligence. This paper assesses multiple approaches to Rocq generation and illuminates potential avenues for improvement. We highlight the importance of thorough premise selection for generating Rocq proofs and propose a novel approach, leveraging retrieval via a self-attentive embedder model. The evaluation of the designed approach shows up to 28% relative increase of the generator's performance. We tackle the problem of writing Rocq proofs using a multi-stage agentic system, tailored for formal verification, and demonstrate its high effectiveness. We conduct an ablation study and demonstrate shows that incorporating multi-agent debate during the planning stage increases the proof success rate by 20% overall and nearly doubles it for complex theorems, while the reflection mechanism further enhances stability and consistency.
Authors: Zhe Ye, Zhengxu Yan, Jingxuan He, Timothe Kasriel, Kaiyu Yang, Dawn Song
Abstract: Large language models (LLMs) are increasingly integrated in software development, but ensuring correctness in LLM-generated code remains challenging and often requires costly manual review. Verifiable code generation -- jointly generating code, specifications, and proofs of code-specification alignment -- offers a promising path to address this limitation and further unleash LLMs' benefits in coding. Yet, there exists a significant gap in evaluation: current benchmarks often focus on only individual components rather than providing a holistic evaluation framework of all tasks. In this paper, we introduce Verina (Verifiable Code Generation Arena), a high-quality benchmark enabling a comprehensive and modular evaluation of code, specification, and proof generation as well as their compositions. Verina consists of 189 manually curated coding tasks in Lean, with detailed problem descriptions, reference implementations, formal specifications, and extensive test suites. Our extensive evaluation of state-of-the-art LLMs reveals significant challenges in verifiable code generation, especially in proof generation, underscoring the need for improving LLM-based theorem provers in verification domains. The best model, OpenAI o4-mini, achieves a 61.4\% code correctness rate, 51.0\% for specification soundness and completeness, and a mere 3.6\% proof success rate (based on one trial per task). We hope Verina will catalyze progress in verifiable code generation by providing a rigorous and comprehensive benchmark. We release our dataset on https://huggingface.co/datasets/sunblaze-ucb/verina and our evaluation code on https://github.com/sunblaze-ucb/verina.
URLs: https://huggingface.co/datasets/sunblaze-ucb/verina, https://github.com/sunblaze-ucb/verina.
Authors: Ofir Schlisselberg, Tal Lancewicki, Peter Auer, Yishay Mansour
Abstract: We study the multi-armed bandit problem with adversarially chosen delays in the Best-of-Both-Worlds (BoBW) framework, which aims to achieve near-optimal performance in both stochastic and adversarial environments. While prior work has made progress toward this goal, existing algorithms suffer from significant gaps to the known lower bounds, especially in the stochastic settings. Our main contribution is a new algorithm that, up to logarithmic factors, matches the known lower bounds in each setting individually. In the adversarial case, our algorithm achieves regret of $\widetilde{O}(\sqrt{KT} + \sqrt{D})$, which is optimal up to logarithmic terms, where $T$ is the number of rounds, $K$ is the number of arms, and $D$ is the cumulative delay. In the stochastic case, we provide a regret bound which scale as $\sum_{i:\Delta_i>0}\left(\log T/\Delta_i\right) + \frac{1}{K}\sum \Delta_i \sigma_{max}$, where $\Delta_i$ is the sub-optimality gap of arm $i$ and $\sigma_{\max}$ is the maximum number of missing observations. To the best of our knowledge, this is the first BoBW algorithm to simultaneously match the lower bounds in both stochastic and adversarial regimes in delayed environment. Moreover, even beyond the BoBW setting, our stochastic regret bound is the first to match the known lower bound under adversarial delays, improving the second term over the best known result by a factor of $K$.
Authors: Zafir Stojanovski, Oliver Stanley, Joe Sharratt, Richard Jones, Abdulhakeem Adefioye, Jean Kaddour, Andreas K\"opf
Abstract: We introduce Reasoning Gym (RG), a library of reasoning environments for reinforcement learning with verifiable rewards. It provides over 100 data generators and verifiers spanning multiple domains including algebra, arithmetic, computation, cognition, geometry, graph theory, logic, and various common games. Its key innovation is the ability to generate virtually infinite training data with adjustable complexity, unlike most previous reasoning datasets, which are typically fixed. This procedural generation approach allows for continuous evaluation across varying difficulty levels. Our experimental results demonstrate the efficacy of RG in both evaluating and reinforcement learning of reasoning models.
Authors: Zesheng Ye, Chengyi Cai, Ruijiang Dong, Jianzhong Qi, Lei Feng, Pin-Yu Chen, Feng Liu
Abstract: As large-scale pre-trained foundation models continue to expand in size and capability, efficiently adapting them to specific downstream tasks has become increasingly critical. Despite substantial progress, existing adaptation approaches have evolved largely in isolation, without a clear understanding of their interrelationships. This survey introduces neural network reprogrammability as a unifying framework that bridges mainstream model adaptation techniques--model reprogramming, prompt tuning, and prompt instruction--previously fragmented research areas yet converges on a shared principle: repurposing a pre-trained model by manipulating information at the interfaces while keeping the model parameters frozen. These methods exploit neural networks' sensitivity to manipulation on different interfaces, be it through perturbing inputs, inserting tokens into intermediate layers, or providing task-specific examples in context, to redirect model behaviors towards desired outcomes. We then present a taxonomy that categorizes such information manipulation-based adaptation approaches across four key dimensions: manipulation format (fixed or learnable), location (interfaces where manipulations occur), operator (how they are applied), and output alignment requirement (post-processing needed to align outputs with downstream tasks). Notably, this framework applies consistently across data modalities, independent of specific model architectures. Moreover, viewing established techniques like in-context learning and chain-of-thought prompting through this lens reveals both their theoretical connections and practical distinctions. We further analyze remaining technical challenges and ethical considerations, positioning neural network reprogrammability as a fundamental paradigm for efficient model adaptation. We lastly identify promising research directions emerging from this integrative viewpoint.
Authors: Severi Rissanen, RuiKang OuYang, Jiajun He, Wenlin Chen, Markus Heinonen, Arno Solin, Jos\'e Miguel Hern\'andez-Lobato
Abstract: Recent research has focused on designing neural samplers that amortize the process of sampling from unnormalized densities. However, despite significant advancements, they still fall short of the state-of-the-art MCMC approach, Parallel Tempering (PT), when it comes to the efficiency of target evaluations. On the other hand, unlike a well-trained neural sampler, PT yields only dependent samples and needs to be rerun -- at considerable computational cost -- whenever new samples are required. To address these weaknesses, we propose the Progressive Tempering Sampler with Diffusion (PTSD), which trains diffusion models sequentially across temperatures, leveraging the advantages of PT to improve the training of neural samplers. We also introduce a novel method to combine high-temperature diffusion models to generate approximate lower-temperature samples, which are minimally refined using MCMC and used to train the next diffusion model. PTSD enables efficient reuse of sample information across temperature levels while generating well-mixed, uncorrelated samples. Our method significantly improves target evaluation efficiency, outperforming diffusion-based neural samplers.
Authors: Florian Andreas Marwitz, Ralf M\"oller, Magnus Bender, Marcel Gehrke
Abstract: Inference in dynamic probabilistic models is a complex task involving expensive operations. In particular, for Hidden Markov Models, the whole state space has to be enumerated for advancing in time. Even states with negligible probabilities are considered, resulting in computational inefficiency and increased noise due to the propagation of unlikely probability mass. We propose to denoise the future and speed up inference by using only the top-p states, i.e., the most probable states with accumulated probability p. We show that the error introduced by using only the top-p states is bound by p and the so-called minimal mixing rate of the underlying model. Moreover, in our empirical evaluation, we show that we can expect speedups of at least an order of magnitude, while the error in terms of total variation distance is below 0.09.
Authors: Hadi Reisizadeh, Jinghan Jia, Zhiqi Bu, Bhanukiran Vinzamuri, Anil Ramakrishna, Kai-Wei Chang, Volkan Cevher, Sijia Liu, Mingyi Hong
Abstract: Enabling large language models (LLMs) to unlearn knowledge and capabilities acquired during training has proven vital for ensuring compliance with data regulations and promoting ethical practices in generative AI. Although there are growing interests in developing various unlearning algorithms, it remains unclear how to best formulate the unlearning problem. The most popular formulation uses a weighted sum of forget and retain loss, but it often leads to performance degradation due to the inherent trade-off between forget and retain losses. In this work, we argue that it is important to model the hierarchical structure of the unlearning problem, where the forget problem (which \textit{unlearns} certain knowledge and/or capabilities) takes priority over the retain problem (which preserves model utility). This hierarchical structure naturally leads to a bi-level optimization formulation where the lower-level objective focuses on minimizing the forget loss, while the upper-level objective aims to maintain the model's utility. Based on this new formulation, we propose a novel algorithm, termed Bi-Level UnleaRning (\texttt{BLUR}), which not only possesses strong theoretical guarantees but more importantly, delivers superior performance. In particular, our extensive experiments demonstrate that \texttt{BLUR} consistently outperforms all the state-of-the-art algorithms across various unlearning tasks, models, and metrics. Codes are available at https://github.com/OptimAI-Lab/BLURLLMUnlearning.
Authors: Yanlong Chen, Mattia Orlandi, Pierangelo Maria Rapa, Simone Benatti, Luca Benini, Yawei Li
Abstract: Physiological signals are often corrupted by motion artifacts, baseline drift, and other low-SNR disturbances, which pose significant challenges for analysis. Additionally, these signals exhibit strong non-stationarity, with sharp peaks and abrupt changes that evolve continuously, making them difficult to represent using traditional time-domain or filtering methods. To address these issues, a novel wavelet-based approach for physiological signal analysis is presented, aiming to capture multi-scale time-frequency features in various physiological signals. Leveraging this technique, two large-scale pretrained models specific to EMG and ECG are introduced for the first time, achieving superior performance and setting new baselines in downstream tasks. Additionally, a unified multi-modal framework is constructed by integrating pretrained EEG model, where each modality is guided through its dedicated branch and fused via learnable weighted fusion. This design effectively addresses challenges such as low signal-to-noise ratio, high inter-subject variability, and device mismatch, outperforming existing methods on multi-modal tasks. The proposed wavelet-based architecture lays a solid foundation for analysis of diverse physiological signals, while the multi-modal design points to next-generation physiological signal processing with potential impact on wearable health monitoring, clinical diagnostics, and broader biomedical applications. Code and data are available at: github.com/ForeverBlue816/PhysioWave
Authors: Fangxin Liu, Zongwu Wang, JinHong Xia, Junping Zhao, Shouren Zhao, Jinjin Li, Jian Liu, Li Jiang, Haibing Guan
Abstract: The rapid advancement of large language models (LLMs) has exacerbated the memory bottleneck due to the widening gap between model parameter scaling and hardware capabilities. While post-training quantization techniques effectively reduce memory overhead, existing methods predominantly rely on static quantization strategies, which struggle to adapt to dynamic workloads. To address this, we propose FlexQuant, a dynamic precision-switching framework that optimizes the trade-off between inference speed and accuracy. Leveraging model perplexity entropy and Kullback-Leibler divergence, FlexQuant enables fine-grained, layer-wise mixed-precision quantization and dynamically adjusts bit-widths during each token generation. FlexQuant provides a comprehensive analysis of quantization strategies, introduces a precision requirement model for optimal switching, and implements efficient fine-grained precision management. Evaluations demonstrate that FlexQuant achieves a 1.3x end-to-end speedup across diverse language tasks with negligible accuracy loss introduced. This framework offers a flexible and adaptive solution for efficient LLM deployment. Code is released at https://github.com/ZongwuWang/FlexQuant.git.
Authors: Shaoheng Yan, Zian Li, Muhan Zhang
Abstract: The pretraining-finetuning paradigm has powered major advances in domains such as natural language processing and computer vision, with representative examples including masked language modeling and next-token prediction. In molecular representation learning, however, pretraining tasks remain largely restricted to node-level denoising, which effectively captures local atomic environments but is often insufficient for encoding the global molecular structure critical to graph-level property prediction tasks such as energy estimation and molecular regression. To address this gap, we introduce GeoRecon, a graph-level pretraining framework that shifts the focus from individual atoms to the molecule as an integrated whole. GeoRecon formulates a graph-level reconstruction task: during pretraining, the model is trained to produce an informative graph representation that guides geometry reconstruction while inducing smoother and more transferable latent spaces. This encourages the learning of coherent, global structural features beyond isolated atomic details. Without relying on external supervision, GeoRecon generally improves over backbone baselines on multiple molecular benchmarks including QM9, MD17, MD22, and 3BPA, demonstrating the effectiveness of graph-level reconstruction for holistic and geometry-aware molecular embeddings.
Authors: Xinglin Wang, Yiwei Li, Shaoxiong Feng, Peiwen Yuan, Yueqi Zhang, Jiayi Shi, Chuyi Tan, Boyuan Pan, Yao Hu, Kan Li
Abstract: Test-Time Scaling (TTS) improves the performance of Large Language Models (LLMs) by using additional inference-time computation to explore multiple reasoning paths through search. Yet how to allocate a fixed rollout budget most effectively during search remains underexplored, often resulting in inefficient use of compute at test time. To bridge this gap, we formulate test-time search as a resource allocation problem and derive the optimal allocation strategy that maximizes the probability of obtaining a correct solution under a fixed rollout budget. Within this formulation, we reveal a core limitation of existing search methods: solution-level allocation tends to favor reasoning directions with more candidates, leading to theoretically suboptimal and inefficient use of compute. To address this, we propose Direction-Oriented Resource Allocation (DORA), a provably optimal method that mitigates this bias by decoupling direction quality from candidate count and allocating resources at the direction level. To demonstrate DORA's effectiveness, we conduct extensive experiments on challenging mathematical reasoning benchmarks including MATH500, AIME2024, and AIME2025. The empirical results show that DORA consistently outperforms strong baselines with comparable computational cost, achieving state-of-the-art accuracy. We hope our findings contribute to a broader understanding of optimal TTS for LLMs.
Authors: Xixi Hu, Runlong Liao, Keyang Xu, Bo Liu, Yeqing Li, Eugene Ie, Hongliang Fei, Qiang Liu
Abstract: Rectified Flow offers a simple and effective approach to high-quality generative modeling by learning a velocity field. However, we identify a limitation in directly modeling the velocity with an unconstrained neural network: the learned velocity often fails to satisfy certain boundary conditions, leading to inaccurate velocity field estimations that deviate from the desired ODE. This issue is particularly critical during stochastic sampling at inference, as the score function's errors are amplified near the boundary. To mitigate this, we propose a Boundary-enforced Rectified Flow Model (Boundary RF Model), in which we enforce boundary conditions with a minimal code modification. Boundary RF Model improves performance over vanilla RF model, demonstrating 8.01% improvement in FID score on ImageNet using ODE sampling and 8.98% improvement using SDE sampling.
Authors: Md Kamran Chowdhury Shisher, Vishrant Tripathi, Mung Chiang, Christopher G. Brinton
Abstract: We study optimal resource allocation in restless multi-armed bandits (RMABs) under unknown and non-stationary dynamics. Solving RMABs optimally is PSPACE-hard even with full knowledge of model parameters, and while the Whittle index policy offers asymptotic optimality with low computational cost, it requires access to stationary transition kernels - an unrealistic assumption in many applications. To address this challenge, we propose a Sliding-Window Online Whittle (SW-Whittle) policy that remains computationally efficient while adapting to time-varying kernels. Our algorithm achieves a dynamic regret of $\tilde O(T^{2/3}\tilde V^{1/3}+T^{4/5})$ for large RMABs, where $T$ is the number of episodes and $\tilde V$ is the total variation distance between consecutive transition kernels. Importantly, we handle the challenging case where the variation budget is unknown in advance by combining a Bandit-over-Bandit framework with our sliding-window design. Window lengths are tuned online as a function of the estimated variation, while Whittle indices are computed via an upper-confidence-bound of the estimated transition kernels and a bilinear optimization routine. Numerical experiments demonstrate that our algorithm consistently outperforms baselines, achieving the lowest cumulative regret across a range of non-stationary environments.
Authors: Mohammad Mahdi Maheri, Denys Herasymuk, Hamed Haddadi
Abstract: The growing adoption of Artificial Intelligence (AI) in Internet of Things (IoT) ecosystems has intensified the need for personalized learning methods that can operate efficiently and privately across heterogeneous, resource-constrained devices. However, enabling effective personalized learning in decentralized settings introduces several challenges, including efficient knowledge transfer between clients, protection of data privacy, and resilience against poisoning attacks. In this paper, we address these challenges by developing P4 (Personalized, Private, Peer-to-Peer) -- a method designed to deliver personalized models for resource-constrained IoT devices while ensuring differential privacy and robustness against poisoning attacks. Our solution employs a lightweight, fully decentralized algorithm to privately detect client similarity and form collaborative groups. Within each group, clients leverage differentially private knowledge distillation to co-train their models, maintaining high accuracy while ensuring robustness to the presence of malicious clients. We evaluate P4 on popular benchmark datasets using both linear and CNN-based architectures across various heterogeneity settings and attack scenarios. Experimental results show that P4 achieves 5% to 30% higher accuracy than leading differentially private peer-to-peer approaches and maintains robustness with up to 30% malicious clients. Additionally, we demonstrate its practicality by deploying it on resource-constrained devices, where collaborative training between two clients adds only ~7 seconds of overhead.
Authors: Md Mokarram Chowdhury, Daniel Agyei Asante, Ernie Chang, Yang Li
Abstract: Large language models (LLMs) achieve strong performance across many domains but are difficult to deploy in resource-constrained settings due to their size. Low-rank weight matrix compression is a popular strategy for reducing model size, typically by minimizing weight reconstruction error under the assumption that weights are low-rank. However, this assumption often does not hold in LLMs. Instead, LLM activations exhibit stronger low-rank structure-prompting a shift toward minimizing activation reconstruction error. We show that this shift alone is insufficient: activation dimensions contribute unequally to model performance, and uniform reconstruction can harm performance. We propose IMPACT, a principled framework for importance-aware activation reconstruction that links model compression decisions to their impact on model behavior. IMPACT formulates an optimization problem that considers both activation structure and gradient sensitivity, and derives a closed-form solution where the optimal reconstruction bases are the eigenvectors of an importance-weighted activation covariance matrix. This enables low-rank approximations explicitly optimized to preserve accuracy. Experiments across diverse models and tasks show that IMPACT achieves up to 48.6% greater model size reduction with accuracy comparable to state-of-the-art baselines.
Authors: Daria Korotyshova, Boris Shaposhnikov, Alexey Malakhov, Alexey Khokhulin, Nikita Surnachev, Kirill Ovcharenko, George Bredis, Alexey Gorbatovski, Viacheslav Sinii, Daniil Gavrilov
Abstract: Alignment of Large Language Models (LLMs) typically relies on Reinforcement Learning from Human Feedback (RLHF) with gradient-based optimizers such as Proximal Policy Optimization (PPO) or Group Relative Policy Optimization (GRPO). While effective, these methods require complex distributed training, large memory budgets, and careful hyperparameter tuning, all of which become increasingly difficult at billion-parameter scale. We present ESSA, Evolutionary Strategies for Scalable Alignment, a gradient-free framework that aligns LLMs using only forward inference and black-box optimization. ESSA focuses optimization on Low-Rank Adapters (LoRA) and further compresses their parameter space by optimizing only the singular values from an SVD decomposition of each adapter matrix. This dimensionality reduction makes evolutionary search practical even for very large models and allows efficient operation in quantized INT4 and INT8 inference mode. Across these benchmarks ESSA improves the test accuracy of Qwen2.5-Math-7B by 12.6% on GSM8K and 14.8% on PRM800K, and raises the accuracy of LLaMA3.1-8B on IFEval by 22.5%, all compared with GRPO. In large-scale settings ESSA shows stronger scaling than gradient-based methods: on Qwen2.5-32B for PRM800K it reaches near-optimal accuracy twice as fast on 16 GPUs and six times as fast on 128 GPUs compared with GRPO. These results position evolutionary strategies as a compelling, hardware-friendly alternative to gradient-based LLM alignment, combining competitive quality with substantially reduced wall-clock time and engineering overhead.
Authors: Chuyan Chen, Yutong He, Pengrui Li, Weichen Jia, Kun Yuan
Abstract: Distributed optimization is pivotal for large-scale signal processing and machine learning, yet communication overhead remains a major bottleneck. Low-rank gradient compression, in which the transmitted gradients are approximated by low-rank matrices to reduce communication, offers a promising remedy. Existing methods typically adopt either randomized or greedy compression strategies: randomized approaches project gradients onto randomly chosen subspaces, introducing high variance and degrading empirical performance; greedy methods select the most informative subspaces, achieving strong empirical results but lacking convergence guarantees. To address this gap, we propose GreedyLore--the first Greedy Low-Rank gradient compression algorithm for distributed learning with rigorous convergence guarantees. GreedyLore incorporates error feedback to correct the bias introduced by greedy compression and introduces a semi-lazy subspace update that ensures the compression operator remains contractive throughout all iterations. With these techniques, we prove that GreedyLore achieves a convergence rate of $\mathcal{O}(\sigma/\sqrt{NT} + 1/T)$ under standard optimizers such as MSGD and Adam--marking the first linear speedup convergence rate for low-rank gradient compression. Extensive experiments are conducted to validate our theoretical findings.
Authors: Rodney Lafuente-Mercado
Abstract: Scaling reinforcement learning (RL) often requires running environments across many machines, but most frameworks tie simulation, training, and infrastructure into rigid systems. We introduce ClusterEnv, a lightweight interface for distributed environment execution that preserves the familiar Gymnasium API. ClusterEnv uses the DETACH pattern, which moves environment reset() and step() operations to remote workers while keeping learning centralized. To reduce policy staleness without heavy communication, we propose Adaptive Policy Synchronization (APS), where workers request updates only when divergence from the central learner grows too large. ClusterEnv supports both on- and off-policy methods, integrates into existing training code with minimal changes, and runs efficiently on clusters. Experiments on discrete control tasks show that APS maintains performance while cutting synchronization overhead. Source code is available at https://github.com/rodlaf/ClusterEnv.
Authors: Jaehoon Yoo, Wonjung Kim, Seunghoon Hong
Abstract: Discrete Flow-based Models (DFMs) are powerful generative models for high-quality discrete data but typically suffer from slow sampling speeds due to their reliance on iterative decoding processes. This reliance on a multi-step process originates from the factorization approximation of DFMs, which is necessary for handling high-dimensional data. In this paper, we analyze the factorization approximation error using Conditional Total Correlation (TC), and reveal its dependence on the coupling. To address the challenge of efficient few-step generation, we propose Rectified Discrete Flow (ReDi), a novel iterative method that reduces the underlying factorization error (measured as Conditional TC) by rectifying the coupling between source and target distributions. We theoretically prove that each ReDi step guarantees a monotonic decreasing Conditional TC, ensuring its convergence. Empirically, ReDi significantly reduces Conditional TC and enables few-step generation. Moreover, we demonstrate that the rectified couplings are well-suited for training efficient one-step models on image generation. ReDi offers a simple and theoretically grounded approach for tackling the few-step challenge, providing a new perspective on efficient discrete data synthesis. Code is available at https://github.com/Ugness/ReDi_discrete.
Authors: Abdessamad El-Kabid, Loubna Benabbou, Redouane Lguensat, Alex Hern\'andez-Garc\'ia
Abstract: Accurate modeling of physical systems governed by partial differential equations is a central challenge in scientific computing. In oceanography, high-resolution current data are critical for coastal management, environmental monitoring, and maritime safety. However, available satellite products, such as Copernicus data for sea water velocity at ~0.08 degrees spatial resolution and global ocean models, often lack the spatial granularity required for detailed local analyses. In this work, we (a) introduce a supervised deep learning framework based on neural operators for solving PDEs and providing arbitrary resolution solutions, and (b) propose downscaling models with an application to Copernicus ocean current data. Additionally, our method can model surrogate PDEs and predict solutions at arbitrary resolution, regardless of the input resolution. We evaluated our model on real-world Copernicus ocean current data and synthetic Navier-Stokes simulation datasets.
Authors: Seonghoon Yoo, Houssem Sifaou, Sangwoo Park, Joonhyuk Kang, Osvaldo Simeone
Abstract: Wireless indoor localization using predictive models with received signal strength information (RSSI) requires proper calibration for reliable position estimates. One remedy is to employ synthetic labels produced by a (generally different) predictive model. But fine-tuning an additional predictor, as well as estimating residual bias of the synthetic labels, demands additional data, aggravating calibration data scarcity in wireless environments. This letter proposes an approach that efficiently uses limited calibration data to simultaneously fine-tune a predictor and estimate the bias of synthetic labels, yielding prediction sets with rigorous coverage guarantees. Experiments on a fingerprinting dataset validate the effectiveness of the proposed method.
Authors: Udo Schlegel, Gabriel Marques Tavares, Thomas Seidl
Abstract: Deep clustering uncovers hidden patterns and groups in complex time series data, yet its opaque decision-making limits use in safety-critical settings. This survey offers a structured overview of explainable deep clustering for time series, collecting current methods and their real-world applications. We thoroughly discuss and compare peer-reviewed and preprint papers through application domains across healthcare, finance, IoT, and climate science. Our analysis reveals that most work relies on autoencoder and attention architectures, with limited support for streaming, irregularly sampled, or privacy-preserved series, and interpretability is still primarily treated as an add-on. To push the field forward, we outline six research opportunities: (1) combining complex networks with built-in interpretability; (2) setting up clear, faithfulness-focused evaluation metrics for unsupervised explanations; (3) building explainers that adapt to live data streams; (4) crafting explanations tailored to specific domains; (5) adding human-in-the-loop methods that refine clusters and explanations together; and (6) improving our understanding of how time series clustering models work internally. By making interpretability a primary design goal rather than an afterthought, we propose the groundwork for the next generation of trustworthy deep clustering time series analytics.
Authors: Ziqian Zhong, Aditi Raghunathan
Abstract: The releases of powerful open-weight large language models (LLMs) are often not accompanied by access to their full training data. Existing interpretability methods, particularly those based on activations, often require or assume distributionally similar data. This is a significant limitation when detecting and defending against novel potential threats like backdoors, which are by definition out-of-distribution. In this work, we introduce a new method for understanding, monitoring and controlling fine-tuned LLMs that interprets weights, rather than activations, thereby side stepping the need for data that is distributionally similar to the unknown training data. We demonstrate that the top singular vectors of the weight difference between a fine-tuned model and its base model correspond to newly acquired behaviors. By monitoring the cosine similarity of activations along these directions, we can detect salient behaviors introduced during fine-tuning with high precision. For backdoored models that bypasses safety mechanisms when a secret trigger is present, our method stops up to 100% of attacks with a false positive rate below 1.2%. For models that have undergone unlearning, we detect inference on erased topics with accuracy up to 95.42% and can even steer the model to recover "unlearned" information. Besides monitoring, our method also shows potential for pre-deployment model auditing: by analyzing commercial instruction-tuned models (OLMo, Llama, Qwen), we are able to uncover model-specific fine-tuning focus including marketing strategies and Midjourney prompt generation. Our implementation can be found at https://github.com/fjzzq2002/WeightWatch.
Authors: Xuan Liu, Siru Ouyang, Xianrui Zhong, Jiawei Han, Huimin Zhao
Abstract: Large language models (LLMs) have gained significant attention in chemistry. However, most existing datasets center on molecular-level property prediction and overlook the role of fine-grained functional group (FG) information. Incorporating FG-level data can provide valuable prior knowledge that links molecular structures with textual descriptions, which can be used to build more interpretable, structure-aware LLMs for reasoning on molecule-related tasks. Moreover, LLMs can learn from such fine-grained information to uncover hidden relationships between specific functional groups and molecular properties, thereby advancing molecular design and drug discovery. Here, we introduce FGBench, a dataset comprising 625K molecular property reasoning problems with functional group information. Functional groups are precisely annotated and localized within the molecule, which ensures the dataset's interoperability thereby facilitating further multimodal applications. FGBench includes both regression and classification tasks on 245 different functional groups across three categories for molecular property reasoning: (1) single functional group impacts, (2) multiple functional group interactions, and (3) direct molecular comparisons. In the benchmark of state-of-the-art LLMs on 7K curated data, the results indicate that current LLMs struggle with FG-level property reasoning, highlighting the need to enhance reasoning capabilities in LLMs for chemistry tasks. We anticipate that the methodology employed in FGBench to construct datasets with functional group-level information will serve as a foundational framework for generating new question-answer pairs, enabling LLMs to better understand fine-grained molecular structure-property relationships. The dataset and evaluation code are available at https://github.com/xuanliugit/FGBench.
Authors: Guofu Xie, Yunsheng Shi, Hongtao Tian, Ting Yao, Xiao Zhang
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has improved the reasoning abilities of Large Language Models (LLMs) by using rule-based binary feedback. However, current RLVR methods typically assign the same reward to every token. This coarse-grained feedback hampers precise credit assignment, making it hard for models to identify which reasoning steps lead to success or failure, and often results in suboptimal policies. Methods like PPO provide credit assignment by value estimation, but yield inaccurate and unverifiable signals due to limited sampling. On the other hand, methods using Process Reward Models can provide step-wise rewards but suffer from several key limitations: they require high-quality process supervision labels, the feedback is unreliable due to probabilistic reward modeling, and their application in online reinforcement learning (RL) is time-consuming. To overcome these limitations, we introduce a simple but efficient method-Credit Assignment Policy Optimization (CAPO). Instead of training auxiliary models, CAPO directly leverages an off-the-shelf, general-purpose LLM as a Generative Process Reward Model (LLM-as-GenPRM) to generate all step-wise critique by one pass only based on the correctness of the step itself, providing deterministic token-level credits to refine the tokens that were originally assigned identical rule-based rewards. To further enhance the accuracy and robustness, we employ voting mechanisms that scale with the number of generated critiques. Extensive experiments on various backbones like Llama and Qwen models show that CAPO consistently outperforms supervised learning-based and RL-based fine-tuning methods across four challenging mathematical benchmarks and three out-of-domain benchmarks. Further analysis shows that CAPO can help the model to foster the learning of correct reasoning pathways leading to correct answers.
Authors: Satoshi Noguchi, Yoshinobu Kawahara
Abstract: Transformers have achieved remarkable success across natural language processing (NLP) and computer vision (CV). However, deep transformer models often suffer from an over-smoothing issue, in which token representations converge to similar values as they pass through successive transformer blocks. In this paper, we establish an equivalence between the hidden-state dynamics induced by stacked attention layers and graph neural diffusion on a complete graph. From this perspective, over-smoothing can be interpreted as a consequence of the dissipative nature of the underlying diffusion dynamics. Motivated by this physical interpretation, we propose Wavy Transformer, which consists of a novel attention layer based on second-order wavy dynamics. We also introduce a feed-forward network and a normalization layer designed to preserve the physical state-velocity relationship under the chain rule, thereby extending the transformer architecture. We further validate our proposed techniques on various transformer models for NLP and CV tasks. The results consistently demonstrate that Wavy Transformer improves performance with minimal additional parameters and no extra hyperparameter tuning.
Authors: Jiaqi Wei, Yuejin Yang, Xiang Zhang, Yuhan Chen, Xiang Zhuang, Zhangyang Gao, Dongzhan Zhou, Guangshuai Wang, Zhiqiang Gao, Juntai Cao, Zijie Qiu, Ming Hu, Chenglong Ma, Shixiang Tang, Junjun He, Chunfeng Song, Xuming He, Qiang Zhang, Chenyu You, Shuangjia Zheng, Ning Ding, Wanli Ouyang, Nanqing Dong, Yu Cheng, Siqi Sun, Lei Bai, Bowen Zhou
Abstract: Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm, where AI systems progress from partial assistance to full scientific agency. Enabled by large language models (LLMs), multimodal systems, and integrated research platforms, agentic AI shows capabilities in hypothesis generation, experimental design, execution, analysis, and iterative refinement -- behaviors once regarded as uniquely human. This survey provides a domain-oriented review of autonomous scientific discovery across life sciences, chemistry, materials science, and physics. We unify three previously fragmented perspectives -- process-oriented, autonomy-oriented, and mechanism-oriented -- through a comprehensive framework that connects foundational capabilities, core processes, and domain-specific realizations. Building on this framework, we (i) trace the evolution of AI for Science, (ii) identify five core capabilities underpinning scientific agency, (iii) model discovery as a dynamic four-stage workflow, (iv) review applications across the above domains, and (v) synthesize key challenges and future opportunities. This work establishes a domain-oriented synthesis of autonomous scientific discovery and positions Agentic Science as a structured paradigm for advancing AI-driven research.
Authors: Yang Zhou, Sunzhu Li, Shunyu Liu, Wenkai Fang, Kongcheng Zhang, Jiale Zhao, Jingwen Yang, Yihe Zhou, Jianwei Lv, Tongya Zheng, Hengtong Lu, Wei Chen, Yan Xie, Mingli Song
Abstract: Recent advances in Large Language Models (LLMs) have underscored the potential of Reinforcement Learning (RL) to facilitate the emergence of reasoning capabilities. Despite the encouraging results, a fundamental dilemma persists as RL improvement relies on learning from high-quality samples, yet the exploration for such samples remains bounded by the inherent limitations of LLMs. This, in effect, creates an undesirable cycle in which what cannot be explored cannot be learned. In this work, we propose Rubric-Scaffolded Reinforcement Learning (RuscaRL), a novel instructional scaffolding framework designed to break the exploration bottleneck for general LLM reasoning. Specifically, RuscaRL introduces checklist-style rubrics as (1) explicit scaffolding for exploration during rollout generation, where different rubrics are provided as external guidance within task instructions to steer diverse high-quality responses. This guidance is gradually decayed over time, encouraging the model to internalize the underlying reasoning patterns; (2) verifiable rewards for exploitation during model training, where we can obtain robust LLM-as-a-Judge scores using rubrics as references, enabling effective RL on general reasoning tasks. Extensive experiments demonstrate the superiority of the proposed RuscaRL across various benchmarks, effectively expanding reasoning boundaries under the Best-of-N evaluation. Notably, RuscaRL significantly boosts Qwen2.5-7B-Instruct from 23.6 to 50.3 on HealthBench-500, surpassing GPT-4.1. Furthermore, our fine-tuned variant on Qwen3-30B-A3B-Instruct achieves 61.1 on HealthBench-500, outperforming leading LLMs including OpenAI-o3. Our code is available at https://github.com/IANNXANG/RuscaRL.
Authors: Timur Mudarisov, Mikhail Burtsev, Tatiana Petrova, Radu State
Abstract: This paper investigates the limitations of the normalization in attention mechanisms. We begin with a theoretical framework that enables the identification of the model's selective ability and the geometric separation involved in token selection. Our analysis includes explicit bounds on distances and separation criteria for token vectors under softmax scaling. Through experiments with pre-trained GPT-2 model, we empirically validate our theoretical results and analyze key behaviors of the attention mechanism. Notably, we demonstrate that as the number of selected tokens increases, the model's ability to distinguish informative tokens declines, often converging toward a uniform selection pattern. We also show that gradient sensitivity under softmax normalization presents challenges during training, especially at low temperature settings. These findings advance current understanding of softmax-based attention mechanism and motivate the need for more robust normalization and selection strategies in future attention architectures.
Authors: Pradeep Singh, Mehak Sharma, Anupriya Dey, Balasubramanian Raman
Abstract: Transformers are the de-facto choice for sequence modelling, yet their quadratic self-attention and weak temporal bias can make long-range forecasting both expensive and brittle. We introduce FreezeTST, a lightweight hybrid that interleaves frozen random-feature (reservoir) blocks with standard trainable Transformer layers. The frozen blocks endow the network with rich nonlinear memory at no optimisation cost; the trainable layers learn to query this memory through self-attention. The design cuts trainable parameters and also lowers wall-clock training time, while leaving inference complexity unchanged. On seven standard long-term forecasting benchmarks, FreezeTST consistently matches or surpasses specialised variants such as Informer, Autoformer, and PatchTST; with substantially lower compute. Our results show that embedding reservoir principles within Transformers offers a simple, principled route to efficient long-term time-series prediction.
Authors: Pradeep Singh, Sutirtha Ghosh, Ashutosh Kumar, Hrishit B P, Balasubramanian Raman
Abstract: Forecasting chaotic dynamics beyond a few Lyapunov times is difficult because infinitesimal errors grow exponentially. Existing Echo State Networks (ESNs) mitigate this growth but employ reservoirs whose Euclidean geometry is mismatched to the stretch-and-fold structure of chaos. We introduce the Hyperbolic Embedding Reservoir (HypER), an ESN whose neurons are sampled in the Poincare ball and whose connections decay exponentially with hyperbolic distance. This negative-curvature construction embeds an exponential metric directly into the latent space, aligning the reservoir's local expansion-contraction spectrum with the system's Lyapunov directions while preserving standard ESN features such as sparsity, leaky integration, and spectral-radius control. Training is limited to a Tikhonov-regularized readout. On the chaotic Lorenz-63 and Roessler systems, and the hyperchaotic Chen-Ueta attractor, HypER consistently lengthens the mean valid-prediction horizon beyond Euclidean and graph-structured ESN baselines, with statistically significant gains confirmed over 30 independent runs; parallel results on real-world benchmarks, including heart-rate variability from the Santa Fe and MIT-BIH datasets and international sunspot numbers, corroborate its advantage. We further establish a lower bound on the rate of state divergence for HypER, mirroring Lyapunov growth.
Authors: Jaya Narain, Zakaria Aldeneh, Shirley Ren
Abstract: Both speech and sensor time series data encode information in both the time- and frequency- domains, like spectral powers and waveform shapelets. We show that speech foundation models learn representations that generalize beyond the speech domain and achieve state-of-the-art performance on diverse time-series tasks from wearable sensors. Probes trained on features extracted from HuBERT and wav2vec 2.0 outperform those extracted from self-supervised models trained directly on modality-specific datasets for mood classification, arrhythmia detection, and activity classification tasks. We find that the convolutional feature encoders of speech models are particularly relevant for wearable sensor applications. The proposed approach enhances performance on data-scarce time-series tasks using simple probing methods. This work takes a step toward developing generalized time-series models that unify speech and sensor modalities.
Authors: Hirofumi Tsuruta, Masaya Kumagai
Abstract: Synthesis procedures play a critical role in materials research, as they directly affect material properties. With data-driven approaches increasingly accelerating materials discovery, there is growing interest in extracting synthesis procedures from scientific literature as structured data. However, existing studies often rely on rigid, domain-specific schemas with predefined fields for structuring synthesis procedures or assume that synthesis procedures are linear sequences of operations, which limits their ability to capture the structural complexity of real-world procedures. To address these limitations, we adopt PROV-DM, an international standard for provenance information, which supports flexible, graph-based modeling of procedures. We present MatPROV, a dataset of PROV-DM-compliant synthesis procedures extracted from scientific literature using large language models. MatPROV captures structural complexities and causal relationships among materials, operations, and conditions through visually intuitive directed graphs. This representation enables machine-interpretable synthesis knowledge, opening opportunities for future research such as automated synthesis planning and optimization.
Authors: Sara Khan, Mehmed Y\"uksel, Frank Kirchner
Abstract: Wear and tear detection in fleet and shared vehicle systems is a critical challenge, particularly in rental and car-sharing services, where minor damage, such as dents, scratches, and underbody impacts, often goes unnoticed or is detected too late. Currently, manual inspection methods are the default approach, but are labour-intensive and prone to human error. In contrast, state-of-the-art image-based methods are less reliable when the vehicle is moving, and they cannot effectively capture underbody damage due to limited visual access and spatial coverage. This work introduces a novel multi-modal architecture based on anomaly detection to address these issues. Sensors such as Inertial Measurement Units (IMUs) and microphones are integrated into a compact device mounted on the vehicle's windshield. This approach supports real-time damage detection while avoiding the need for highly resource-intensive sensors. We developed multiple variants of multi-modal autoencoder-based architectures and evaluated them against unimodal and state-of-the-art methods. Our multi-modal ensemble model with pooling achieved the highest performance, with a Receiver Operating Characteristic-Area Under Curve (ROC-AUC) of 92%, demonstrating its effectiveness in real-world applications. This approach can also be extended to other applications, such as improving automotive safety. It can integrate with airbag systems for efficient deployment and help autonomous vehicles by complementing other sensors in collision detection.
Authors: Yuqi Pan, Yupeng Feng, Jinghao Zhuang, Siyu Ding, Han Xu, Zehao Liu, Bohan Sun, Yuhong Chou, Xuerui Qiu, Anlin Deng, Anjie Hu, Peng Zhou, Man Yao, Jibin Wu, Jian Yang, Guoliang Sun, Bo Xu, Guoqi Li
Abstract: Mainstream Transformer-based large language models face major efficiency bottlenecks: training computation scales quadratically with sequence length, and inference memory grows linearly, limiting long-context processing. Building large models on non-NVIDIA platforms also poses challenges for stable and efficient training. To address this, we introduce SpikingBrain, a family of brain-inspired models designed for efficient long-context training and inference. SpikingBrain leverages the MetaX GPU cluster and focuses on three aspects: (1) Model Architecture: linear and hybrid-linear attention architectures with adaptive spiking neurons; (2) Algorithmic Optimizations: an efficient, conversion-based training pipeline and a dedicated spike coding framework; (3) System Engineering: customized training frameworks, operator libraries, and parallelism strategies tailored to MetaX hardware. Using these techniques, we develop two models: SpikingBrain-7B, a linear LLM, and SpikingBrain-76B, a hybrid-linear MoE LLM. These models demonstrate the feasibility of large-scale LLM development on non-NVIDIA platforms. SpikingBrain achieves performance comparable to open-source Transformer baselines while using only about 150B tokens for continual pre-training. Our models significantly improve long-sequence training efficiency and deliver inference with (partially) constant memory and event-driven spiking behavior. For example, SpikingBrain-7B attains over 100x speedup in Time to First Token for 4M-token sequences. Training remains stable for weeks on hundreds of MetaX C550 GPUs, with the 7B model reaching a Model FLOPs Utilization of 23.4 percent. The proposed spiking scheme achieves 69.15 percent sparsity, enabling low-power operation. Overall, this work demonstrates the potential of brain-inspired mechanisms to drive the next generation of efficient and scalable large model design.
Authors: Jiacan Yu, Siyi Chen, Mingrui Liu, Nono Horiuchi, Vladimir Braverman, Zicheng Xu, Dan Haramati, Randall Balestriero
Abstract: Joint-Embedding Predictive Architecture (JEPA) is increasingly used for visual representation learning and as a component in model-based RL, but its behavior remains poorly understood. We provide a theoretical characterization of a simple, practical JEPA variant that has an auxiliary regression head trained jointly with latent dynamics. We prove a No Unhealthy Representation Collapse theorem: in deterministic MDPs, if training drives both the latent-transition consistency loss and the auxiliary regression loss to zero, then any pair of non-equivalent observations, i.e., those that do not have the same transition dynamics or auxiliary value, must map to distinct latent representations. Thus, the auxiliary task anchors which distinctions the representation must preserve. Controlled ablations in a counting environment corroborate the theory and show that training the JEPA model jointly with the auxiliary head generates a richer representation than training them separately. Our work indicates a path to improve JEPA encoders: training them with an auxiliary function that, together with the transition dynamics, encodes the right equivalence relations.
Authors: Yuchen Ye, Chaoxia Yuan, Mingyu Li, Aoqi Zhou, Hong Liang, Chunqing Shang, Kezuan Wang, Yifeng Zheng, Cong Chen
Abstract: Accurate atmospheric wind field information is crucial for various applications, including weather forecasting, aviation safety, and disaster risk reduction. However, obtaining high spatiotemporal resolution wind data remains challenging due to limitations in traditional in-situ observations and remote sensing techniques, as well as the computational expense and biases of numerical weather prediction (NWP) models. This paper introduces G-WindCast, a novel deep learning framework that leverages signal strength variations from 5G Global Navigation Satellite System (GNSS) signals to forecast three-dimensional (3D) atmospheric wind fields. The framework utilizes Forward Neural Networks (FNN) and Transformer networks to capture complex, nonlinear, and spatiotemporal relationships between GNSS-derived features and wind dynamics. Our preliminary results demonstrate promising accuracy in real-time wind forecasts (up to 30 minutes lead time). The model exhibits robustness across forecast horizons and different pressure levels, and its predictions for wind fields show superior agreement with ground-based radar wind profiler compared to concurrent European Centre for Medium-Range Weather Forecasts (ECMWF) Reanalysis v5 (ERA5). Furthermore, we show that the system can maintain excellent performance for localized forecasting even with a significantly reduced number of GNSS stations (e.g., around 100), highlighting its cost-effectiveness and scalability. This interdisciplinary approach underscores the transformative potential of exploiting non-traditional data sources and deep learning for advanced environmental monitoring and real-time atmospheric applications.
Authors: Borui Wan, Gaohong Liu, Zuquan Song, Jun Wang, Yun Zhang, Guangming Sheng, Shuguang Wang, Houmin Wei, Chenyuan Wang, Weiqiang Lou, Xi Yang, Mofan Zhang, Kaihua Jiang, Cheng Ren, Xiaoyun Zhi, Menghan Yu, Zhe Nan, Zhuolin Zheng, Baoquan Zhong, Qinlong Wang, Huan Yu, Jinxin Chi, Wang Zhang, Yuhan Li, Zixian Du, Sida Zhao, Yongqiang Zhang, Jingzhe Tang, Zherui Liu, Chuan Wu, Yanghua Peng, Haibin Lin, Wencong Xiao, Xin Liu, Liang Xiang
Abstract: The training scale of large language models (LLMs) has reached tens of thousands of GPUs and is still continuously expanding, enabling faster learning of larger models. Accompanying the expansion of the resource scale is the prevalence of failures (CUDA error, NaN values, job hang, etc.), which poses significant challenges to training stability. Any large-scale LLM training infrastructure should strive for minimal training interruption, efficient fault diagnosis, and effective failure tolerance to enable highly efficient continuous training. This paper presents ByteRobust, a large-scale GPU infrastructure management system tailored for robust and stable training of LLMs. It exploits the uniqueness of LLM training process and gives top priorities to detecting and recovering failures in a routine manner. Leveraging parallelisms and characteristics of LLM training, ByteRobust enables high-capacity fault tolerance, prompt fault demarcation, and localization with an effective data-driven approach, comprehensively ensuring continuous and efficient training of LLM tasks. ByteRobust is deployed on a production GPU platform and achieves 97% ETTR for a three-month training job on 9,600 GPUs.
Authors: Santosh Patapati
Abstract: When different objectives conflict with each other in multi-task learning, gradients begin to interfere and slow convergence, thereby potentially reducing the final model's performance. To address this, we introduce SON-GOKU, a scheduler that computes gradient interference, constructs an interference graph, and then applies greedy graph-coloring to partition tasks into groups that align well with each other. At each training step, only one group (color class) of tasks are activated, and the grouping partition is constantly recomputed as task relationships evolve throughout training. By ensuring that each mini-batch contains only tasks that pull the model in the same direction, our method improves the effectiveness of any underlying multi-task learning optimizer without additional tuning. Since tasks within these groups will update in compatible directions, multi-task learning will improve model performance rather than impede it. Empirical results on six different datasets show that this interference-aware graph-coloring approach consistently outperforms baselines and state-of-the-art multi-task optimizers. We provide extensive theory showing why grouping and sequential updates improve multi-task learning, with guarantees on descent, convergence, and accurately identifying what tasks conflict or align.
Authors: Xingjian Wu, Zhengyu Li, Hanyin Cheng, Xiangfei Qiu, Jilin Hu, Chenjuan Guo, Bin Yang
Abstract: Time Series Analysis is widely used in various real-world applications such as weather forecasting, financial fraud detection, imputation for missing data in IoT systems, and classification for action recognization. Mixture-of-Experts (MoE), as a powerful architecture, though demonstrating effectiveness in NLP, still falls short in adapting to versatile tasks in time series analytics due to its task-agnostic router and the lack of capability in modeling channel correlations. In this study, we propose a novel, general MoE-based time series framework called PatchMoE to support the intricate ``knowledge'' utilization for distinct tasks, thus task-aware. Based on the observation that hierarchical representations often vary across tasks, e.g., forecasting vs. classification, we propose a Recurrent Noisy Gating to utilize the hierarchical information in routing, thus obtaining task-sepcific capability. And the routing strategy is operated on time series tokens in both temporal and channel dimensions, and encouraged by a meticulously designed Temporal \& Channel Load Balancing Loss to model the intricate temporal and channel correlations. Comprehensive experiments on five downstream tasks demonstrate the state-of-the-art performance of PatchMoE.
Authors: Xingjian Wu, Jianxin Jin, Wanghui Qiu, Peng Chen, Yang Shu, Bin Yang, Chenjuan Guo
Abstract: Cross-domain generalization is very important in Time Series Forecasting because similar historical information may lead to distinct future trends due to the domain-specific characteristics. Recent works focus on building unimodal time series foundation models and end-to-end multimodal supervised models. Since domain-specific knowledge is often contained in modalities like texts, the former lacks the explicit utilization of them, thus hindering the performance. The latter is tailored for end-to-end scenarios and does not support zero-shot inference for cross-domain scenarios. In this work, we introduce Aurora, a Multimodal Time Series Foundation Model, which supports multimodal inputs and zero-shot inference. Pretrained on Corss-domain Multimodal Time Series Corpus, Aurora can adaptively extract and focus on key domain knowledge contained in corrsponding text or image modalities, thus possessing strong Cross-domain generalization capability. Through tokenization, encoding, and distillation, Aurora can extract multimodal domain knowledge as guidance and then utilizes a Modality-Guided Multi-head Self-Attention to inject them into the modeling of temporal representations. In the decoding phase, the multimodal representations are used to generate the conditions and prototypes of future tokens, contributing to a novel Prototype-Guided Flow Matching for generative probabilistic forecasting. Comprehensive experiments on well-recognized benchmarks, including TimeMMD, TSFM-Bench and ProbTS, demonstrate the consistent state-of-the-art performance of Aurora on both unimodal and multimodal scenarios.
Authors: Haoyu He, Haozheng Luo, Yan Chen, Qi R. Wang
Abstract: Predicting human mobility is inherently challenging due to complex long-range dependencies and multi-scale periodic behaviors. To address this, we introduce RHYTHM (Reasoning with Hierarchical Temporal Tokenization for Human Mobility), a unified framework that leverages large language models (LLMs) as general-purpose spatio-temporal predictors and trajectory reasoners. Methodologically, RHYTHM employs temporal tokenization to partition each trajectory into daily segments and encode them as discrete tokens with hierarchical attention that captures both daily and weekly dependencies, thereby quadratically reducing the sequence length while preserving cyclical information. Additionally, we enrich token representations by adding pre-computed prompt embeddings for trajectory segments and prediction targets via a frozen LLM, and feeding these combined embeddings back into the LLM backbone to capture complex interdependencies. Computationally, RHYTHM keeps the pretrained LLM backbone frozen, yielding faster training and lower memory usage. We evaluate our model against state-of-the-art methods using three real-world datasets. Notably, RHYTHM achieves a 2.4% improvement in overall accuracy, a 5.0% increase on weekends, and a 24.6% reduction in training time. Code is publicly available at https://github.com/he-h/rhythm.
Authors: Akhil Premkumar
Abstract: We draw a connection between diffusion models and the Kelly criterion for maximizing returns in betting games. We find that conditional diffusion models store additional information to bind the signal $X$ with the conditioning information $Y$, equal to the mutual information between them. Classifier-free guidance effectively boosts the mutual information between $X$ and $Y$ at sampling time. This is especially helpful in image models, since the mutual information between images and their labels is low, a fact which is intimately connected to the manifold hypothesis. Finally, we point out some nuances in the popular perspective that diffusion models are infinitely deep autoencoders. In doing so, we relate the denoising loss to the Fermi Golden Rule from quantum mechanics.
Authors: Danyang Li, Yixuan Wang, Matthew Cleaveland, Mingyu Cai, Roberto Tron
Abstract: Signal Temporal Logic (STL) inference seeks to extract human-interpretable rules from time-series data, but existing methods lack formal confidence guarantees for the inferred rules. Conformal prediction (CP) is a technique that can provide statistical correctness guarantees, but is typically applied as a post-training wrapper without improving model learning. Instead, we introduce an end-to-end differentiable CP framework for STL inference that enhances both reliability and interpretability of the resulting formulas. We introduce a robustness-based nonconformity score, embed a smooth CP layer directly into training, and employ a new loss function that simultaneously optimizes inference accuracy and CP prediction sets with a single term. Following training, an exact CP procedure delivers statistical guarantees for the learned STL formulas. Experiments on benchmark time-series tasks show that our approach reduces uncertainty in predictions (i.e., it achieves high coverage while reducing prediction set size), and improves accuracy (i.e., the number of misclassifications when using a fixed threshold) over state-of-the-art baselines.
Authors: Akash Dhasade, Sadegh Farhadkhani, Rachid Guerraoui, Nirupam Gupta, Maxime Jacovella, Anne-Marie Kermarrec, Rafael Pinot
Abstract: Federated inference, in the form of one-shot federated learning, edge ensembles, or federated ensembles, has emerged as an attractive solution to combine predictions from multiple models. This paradigm enables each model to remain local and proprietary while a central server queries them and aggregates predictions. Yet, the robustness of federated inference has been largely neglected, leaving them vulnerable to even simple attacks. To address this critical gap, we formalize the problem of robust federated inference and provide the first robustness analysis of this class of methods. Our analysis of averaging-based aggregators shows that the error of the aggregator is small either when the dissimilarity between honest responses is small or the margin between the two most probable classes is large. Moving beyond linear averaging, we show that problem of robust federated inference with non-linear aggregators can be cast as an adversarial machine learning problem. We then introduce an advanced technique using the DeepSet aggregation model, proposing a novel composition of adversarial training and test-time robust aggregation to robustify non-linear aggregators. Our composition yields significant improvements, surpassing existing robust aggregation methods by 4.7 - 22.2% in accuracy points across diverse benchmarks.
Authors: Mingyuan Xia, Chunxu Zhang, Zijian Zhang, Hao Miao, Qidong Liu, Yuanshao Zhu, Bo Yang
Abstract: Temporal non-stationarity, the phenomenon that time series distributions change over time, poses fundamental challenges to reliable time series forecasting. Intuitively, the complex time series can be decomposed into two factors, \ie time-invariant and time-varying components, which indicate static and dynamic patterns, respectively. Nonetheless, existing methods often conflate the time-varying and time-invariant components, and jointly learn the combined long-term patterns and short-term fluctuations, leading to suboptimal performance facing distribution shifts. To address this issue, we initiatively propose a lightweight static-dynamic decomposition framework, TimeEmb, for time series forecasting. TimeEmb innovatively separates time series into two complementary components: (1) time-invariant component, captured by a novel global embedding module that learns persistent representations across time series, and (2) time-varying component, processed by an efficient frequency-domain filtering mechanism inspired by full-spectrum analysis in signal processing. Experiments on real-world datasets demonstrate that TimeEmb outperforms state-of-the-art baselines and requires fewer computational resources. We conduct comprehensive quantitative and qualitative analyses to verify the efficacy of static-dynamic disentanglement. This lightweight framework can also improve existing time-series forecasting methods with simple integration. To ease reproducibility, the code is available at https://github.com/showmeon/TimeEmb.
Authors: Ashish Jha, Valentin Leplat, AH Phan
Abstract: Training large language models on massive datasets is computationally expensive, yet empirical evidence suggests that substantial portions of training examples contribute minimally to final performance. Data subset selection addresses this inefficiency by identifying small, high-utility subsets under resource constraints. However, example utility is inherently multi-faceted, encompassing uncertainty, distributional rarity, and diversity signals that are heterogeneous and typically combined through ad hoc weighted sums lacking theoretical grounding. We propose a market-based framework that treats each training example as a tradeable contract and employs the Logarithmic Market Scoring Rule to aggregate multiple utility signals into coherent prices. Heterogeneous signals act as traders, a single liquidity parameter controls concentration versus smoothing, and topic-wise normalization ensures calibrated aggregation. Token budgets are handled explicitly through a price-per-token decision rule with an interpretable length-bias parameter. We establish theoretical connections to maximum-entropy aggregation and provide utility recovery guarantees under noisy but monotone signals. On GSM8K mathematical reasoning under strict 60k-token budgets, our selector achieves parity with strong single-signal baselines while exhibiting lower variance and incurring less than 0.1 GPU-hour overhead. On AGNews classification at 5-25\% retention rates, the market formulation delivers competitive accuracy with improved stability. Our framework unifies multi-signal data curation under fixed computational budgets for prompt-level reasoning and classification tasks.
Authors: Shuang Cheng, Yihan Bian, Dawei Liu, Linfeng Zhang, Qian Yao, Zhongbo Tian, Wenhai Wang, Qipeng Guo, Kai Chen, Biqing Qi, Bowen Zhou
Abstract: We propose SDAR, a Synergistic Diffusion-Autoregression paradigm that unifies the training efficiency of autoregressive models with the parallel inference capability of diffusion. Instead of costly end-to-end diffusion training, SDAR performs a lightweight paradigm conversion that transforms a well-trained autoregressive (AR) model into a blockwise diffusion model through brief, data-efficient adaptation. During inference, SDAR generates sequences autoregressively across blocks for global coherence while decoding all tokens within each block in parallel via a discrete diffusion process. Extensive experiments show that AR models remain substantially more compute-efficient than masked diffusion models, providing a strong foundation for adaptation. Building on this insight, SDAR achieves efficient AR-to-diffusion conversion with minimal cost, preserving AR-level performance while enabling parallel generation. Scaling studies across dense and Mixture-of-Experts architectures confirm that SDAR scales without compromise: larger models exhibit stronger robustness to block size and decoding thresholds, yielding greater speedups without accuracy loss. Beyond efficiency, SDAR demonstrates enhanced reasoning and domain adaptability. Our 30B MoE model surpasses its AR counterpart on challenging scientific reasoning benchmarks such as GPQA and ChemBench, and gains further improvements under test-time scaling methods like majority voting and pass@k. Together, these results establish SDAR as a practical paradigm that combines the strengths of autoregression and diffusion for scalable, high-throughput reasoning.
Authors: Binbin Huang, Luo Luo, Yanghua Xiao, Deqing Yang, Baojian Zhou
Abstract: This work proposes a novel framework based on nested evolving set processes to accelerate Personalized PageRank (PPR) computation. At each stage of the process, we employ a localized inexact proximal point iteration to solve a simplified linear system. We show that the time complexity of such localized methods is upper bounded by $\min\{\tilde{\mathcal{O}}(R^2/\epsilon^2), \tilde{\mathcal{O}}(m)\}$ to obtain an $\epsilon$-approximation of the PPR vector, where $m$ denotes the number of edges in the graph and $R$ is a constant defined via nested evolving set processes. Furthermore, the algorithms induced by our framework require solving only $\tilde{\mathcal{O}}(1/\sqrt{\alpha})$ such linear systems, where $\alpha$ is the damping factor. When $1/\epsilon^2\ll m$, this implies the existence of an algorithm that computes an $\ epsilon $-approximation of the PPR vector with an overall time complexity of $\tilde{\mathcal{O}}\left(R^2 / (\sqrt{\alpha}\epsilon^2)\right)$, independent of the underlying graph size. Our result resolves an open conjecture from existing literature. Experimental results on real-world graphs validate the efficiency of our methods, demonstrating significant convergence in the early stages.
Authors: Wenxuan Wang, Kai Wu, Yujian Betterest Li, Dan Wang, Xiaoyu Zhang
Abstract: Foundation models for time series analysis (TSA) have attracted significant attention. However, challenges such as training data scarcity and imbalance continue to hinder their development. Inspired by complex dynamic system theories, we design a series-symbol data generation mechanism, enabling the unrestricted creation of high-quality time series data paired with corresponding symbolic expressions. To leverage series-symbol data pairs with strong correlations, we develop SymTime, a pre-trained foundation model for enhancing time series representation using symbolic information. SymTime demonstrates competitive performance across five major TSA tasks when fine-tunes with downstream tasks, rivaling foundation models pre-trained on real-world datasets. This approach underscores the potential of series-symbol data generation and pretraining mechanisms in overcoming data scarcity and enhancing task performance. The code is available at https://github.com/wwhenxuan/SymTime.
Authors: Zhihan Zhang, Xunkai Li, Yilong Zuo, Zhaoxin Fan, Zhenjun Li, Bing Zhou, Rong-Hua Li, Guoren Wang
Abstract: Text-attributed graphs (TAGs) have become a key form of graph-structured data in modern data management and analytics, combining structural relationships with rich textual semantics for diverse applications. However, the effectiveness of analytical models, particularly graph neural networks (GNNs), is highly sensitive to data quality. Our empirical analysis shows that both conventional and LLM-enhanced GNNs degrade notably under textual, structural, and label imperfections, underscoring TAG quality as a key bottleneck for reliable analytics. Existing studies have explored data-level optimization for TAGs, but most focus on specific degradation types and target a single aspect like structure or label, lacking a systematic and comprehensive perspective on data quality improvement. To address this gap, we propose LAGA (Large Language and Graph Agent), a unified multi-agent framework for comprehensive TAG quality optimization. LAGA formulates graph quality control as a data-centric process, integrating detection, planning, action, and evaluation agents into an automated loop. It holistically enhances textual, structural, and label aspects through coordinated multi-modal optimization. Extensive experiments on 5 datasets and 16 baselines across 9 scenarios demonstrate the effectiveness, robustness and scalability of LAGA, confirming the importance of data-centric quality optimization for reliable TAG analytics.
Authors: Jingwen Li, Zhiguang Cao, Yaoxin Wu, Tang Liu
Abstract: Exploring machine learning techniques for addressing vehicle routing problems has attracted considerable research attention. To achieve decent and efficient solutions, existing deep models for vehicle routing problems are typically trained and evaluated using instances of a single size. This substantially limits their ability to generalize across different problem sizes and thus hampers their practical applicability. To address the issue, we propose a continual learning based framework that sequentially trains a deep model with instances of ascending problem sizes. Specifically, on the one hand, we design an inter-task regularization scheme to retain the knowledge acquired from smaller problem sizes in the model training on a larger size. On the other hand, we introduce an intra-task regularization scheme to consolidate the model by imitating the latest desirable behaviors during training on each size. Additionally, we exploit the experience replay to revisit instances of formerly trained sizes for mitigating the catastrophic forgetting. Experimental results show that our approach achieves predominantly superior performance across various problem sizes (either seen or unseen in the training), as compared to state-of-the-art deep models including the ones specialized for generalizability enhancement. Meanwhile, the ablation studies on the key designs manifest their synergistic effect in the proposed framework.
Authors: MohammadHossein Bateni, Hossein Esfandiari, Samira HosseinGhorban, Alireza Mirrokni, Radin Shahdaei
Abstract: Building learning models frequently requires evaluating numerous intermediate models. Examples include models considered during feature selection, model structure search, and parameter tunings. The evaluation of an intermediate model influences subsequent model exploration decisions. Although prior knowledge can provide initial quality estimates, true performance is only revealed after evaluation. In this work, we address the challenge of optimally allocating a bounded budget to explore the space of intermediate models. We formalize this as a general budget allocation problem over unknown-value functions within a Lipschitz space.
Authors: Yuval Golbari, Navve Wasserman, Gal Vardi, Michal Irani
Abstract: Determining which data samples were used to train a model-known as Membership Inference Attack (MIA)-is a well-studied and important problem with implications for data privacy. Black-box methods presume access only to the model's outputs and often rely on training auxiliary reference models. While they have shown strong empirical performance, they rely on assumptions that rarely hold in real-world settings: (i) the attacker knows the training hyperparameters; (ii) all available non-training samples come from the same distribution as the training data; and (iii) the fraction of training data in the evaluation set is known. In this paper, we demonstrate that removing these assumptions leads to a significant drop in the performance of black-box attacks. We introduce ImpMIA, a Membership Inference Attack that exploits the Implicit Bias of neural networks, hence removes the need to rely on any reference models and their assumptions. ImpMIA is a white-box attack -- a setting which assumes access to model weights and is becoming increasingly realistic given that many models are publicly available (e.g., via Hugging Face). Building on maximum-margin implicit bias theory, ImpMIA uses the Karush-Kuhn-Tucker (KKT) optimality conditions to identify training samples. This is done by finding the samples whose gradients most strongly reconstruct the trained model's parameters. As a result, ImpMIA achieves state-of-the-art performance compared to both black and white box attacks in realistic settings where only the model weights and a superset of the training data are available.
Authors: Binxin Gao, Jingjun Han
Abstract: Test-time scaling has enabled Large Language Models (LLMs) with remarkable reasoning capabilities, particularly in mathematical domains, through intermediate chain-of-thought (CoT) reasoning before generating final answers. However, the specific sources and mechanisms underlying these reasoning capabilities remain insufficiently understood. Optimization reasoning, i.e. finding extrema under constraints, represents a fundamental abstraction that underpins critical applications in planning, control, resource allocation, and prompt search. To systematically evaluate this capability, we introduce ExtremBench, a benchmark dataset for solving mathematical extremal problems, curated from inequality exercises used for Chinese Mathematical Olympiad and transformed into $93$ standardized extrema-finding problems. We conduct extensive evaluations across various state-of-the-art open-source model families, including the Qwen3, GPT-OSS, and DeepSeek. Our results reveal that LLMs' extremal-solving reasoning capabilities do not always align with those of current mathematical benchmarks such as AIME25 and MATH-500, with some models showing strong general mathematical reasoning but poor extremal-solving skills, and vice versa. This discrepancy highlights a critical gap in current evaluation practices and suggests that existing benchmarks may not comprehensively capture the full spectrum of mathematical reasoning abilities.
Authors: Rui Xu, Xingyuan Chen, Wenxing Huang, Minxuan Huang, Yun Xie, Weiyan Chen, Sihong Xie
Abstract: Conformal Prediction (CP) provides distribution-free uncertainty quantification by constructing prediction sets that guarantee coverage of the true labels. This reliability makes CP valuable for high-stakes federated learning scenarios such as multi-center healthcare. However, standard CP assumes i.i.d. data, which is violated in federated settings where client distributions differ substantially. Existing federated CP methods address this by maintaining marginal coverage on each client, but such guarantees often fail to reflect input-conditional uncertainty. In this work, we propose Federated Conditional Conformal Prediction (Fed-CCP) via generative models, which aims for conditional coverage that adapts to local data heterogeneity. Fed-CCP leverages generative models, such as normalizing flows or diffusion models, to approximate conditional data distributions without requiring the sharing of raw data. This enables each client to locally calibrate conformal scores that reflect its unique uncertainty, while preserving global consistency through federated aggregation. Experiments on real datasets demonstrate that Fed-CCP achieves more adaptive prediction sets.
Authors: Benjamin Kempinski, Tal Kachman
Abstract: Computing the Banzhaf value in network flow games is fundamental for quantifying agent influence in multi-agent systems, with applications ranging from cybersecurity to infrastructure planning. However, exact computation is intractable for systems with more than $\sim20$ agents due to exponential complexity $\mathcal{O}(2^m)$. While Monte Carlo sampling methods provide statistical estimates, they suffer from high sample complexity and cannot transfer knowledge across different network configurations, making them impractical for large-scale or dynamic systems. We present a novel learning-based approach using Graph Neural Networks (GNNs) to approximate Banzhaf values in cardinal network flow games. By framing the problem as a graph-level prediction task, our method learns generalisable patterns of agent influence directly from network topology and control structure. We conduct a comprehensive empirical study comparing three state-of-the-art GNN architectures-Graph Attention Networks (GAT), Graph Isomorphism Networks with Edge features (GINE), and EdgeConv-on a large-scale synthetic dataset of 200,000 graphs per configuration, varying in size (20-100 nodes), agent count (5-20), and edge probability (0.5-1.0). Our results demonstrate that trained GNN models achieve high-fidelity Banzhaf value approximation with order-of-magnitude speedups compared to exact and sampling-based methods. Most significantly, we show strong zero-shot generalisation: models trained on graphs of a specific size and topology accurately predict Banzhaf values for entirely new networks with different structural properties, without requiring retraining. This work establishes GNNs as a practical tool for scalable cooperative game-theoretic analysis of complex networked systems.
Authors: Muhammad Ishfaq Hussain, Ma Van Linh, Zubia Naz, Unse Fatima, Yeongmin Ko, Moongu Jeon
Abstract: Enhancing scene understanding in adverse visibility conditions remains a critical challenge for surveillance and autonomous navigation systems. Conventional imaging modalities, such as RGB and thermal infrared (MWIR / LWIR), when fused, often struggle to deliver comprehensive scene information, particularly under conditions of atmospheric interference or inadequate illumination. To address these limitations, Short-Wave Infrared (SWIR) imaging has emerged as a promising modality due to its ability to penetrate atmospheric disturbances and differentiate materials with improved clarity. However, the advancement and widespread implementation of SWIR-based systems face significant hurdles, primarily due to the scarcity of publicly accessible SWIR datasets. In response to this challenge, our research introduces an approach to synthetically generate SWIR-like structural/contrast cues (without claiming spectral reproduction) images from existing LWIR data using advanced contrast enhancement techniques. We then propose a multimodal fusion framework integrating synthetic SWIR, LWIR, and RGB modalities, employing an optimized encoder-decoder neural network architecture with modality-specific encoders and a softmax-gated fusion head. Comprehensive experiments on public RGB-LWIR benchmarks (M3FD, TNO, CAMEL, MSRS, RoadScene) and an additional private real RGB-MWIR-SWIR dataset demonstrate that our synthetic-SWIR-enhanced fusion framework improves fused-image quality (contrast, edge definition, structural fidelity) while maintaining real-time performance. We also add fair trimodal baselines (LP, LatLRR, GFF) and cascaded trimodal variants of U2Fusion/SwinFusion under a unified protocol. The outcomes highlight substantial potential for real-world applications in surveillance and autonomous systems.
Authors: Xingjian Wu, Xiangfei Qiu, Hanyin Cheng, Zhengyu Li, Jilin Hu, Chenjuan Guo, Bin Yang
Abstract: Time Series Forecasting has made significant progress with the help of Patching technique, which partitions time series into multiple patches to effectively retain contextual semantic information into a representation space beneficial for modeling long-term dependencies. However, conventional patching partitions a time series into adjacent patches, which causes a fixed representation space, thus resulting in insufficiently expressful representations. In this paper, we pioneer the exploration of constructing a selective representation space to flexibly include the most informative patches for forecasting. Specifically, we propose the Selective Representation Space (SRS) module, which utilizes the learnable Selective Patching and Dynamic Reassembly techniques to adaptively select and shuffle the patches from the contextual time series, aiming at fully exploiting the information of contextual time series to enhance the forecasting performance of patch-based models. To demonstrate the effectiveness of SRS module, we propose a simple yet effective SRSNet consisting of SRS and an MLP head, which achieves state-of-the-art performance on real-world datasets from multiple domains. Furthermore, as a novel plugin-and-play module, SRS can also enhance the performance of existing patch-based models. The resources are available at https://github.com/decisionintelligence/SRSNet.
Authors: Zhuo Cao, Xuan Zhao, Lena Krieger, Hanno Scharr, Ira Assent
Abstract: The growing integration of machine learning (ML) and artificial intelligence (AI) models into high-stakes domains such as healthcare and scientific research calls for models that are not only accurate but also interpretable. Among the existing explainable methods, counterfactual explanations offer interpretability by identifying minimal changes to inputs that would alter a model's prediction, thus providing deeper insights. However, current counterfactual generation methods suffer from critical limitations, including gradient vanishing, discontinuous latent spaces, and an overreliance on the alignment between learned and true decision boundaries. To overcome these limitations, we propose LeapFactual, a novel counterfactual explanation algorithm based on conditional flow matching. LeapFactual generates reliable and informative counterfactuals, even when true and learned decision boundaries diverge. Following a model-agnostic approach, LeapFactual is not limited to models with differentiable loss functions. It can even handle human-in-the-loop systems, expanding the scope of counterfactual explanations to domains that require the participation of human annotators, such as citizen science. We provide extensive experiments on benchmark and real-world datasets showing that LeapFactual generates accurate and in-distribution counterfactual explanations that offer actionable insights. We observe, for instance, that our reliable counterfactual samples with labels aligning to ground truth can be beneficially used as new training data to enhance the model. The proposed method is broadly applicable and enhances both scientific knowledge discovery and non-expert interpretability.
Authors: Emily Alsentzer, Marie-Laure Charpignon, Bill Chen, Niharika D'Souza, Jason Fries, Yixing Jiang, Aparajita Kashyap, Chanwoo Kim, Simon Lee, Aishwarya Mandyam, Ashery Christopher Mbilinyi, Nikita Mehandru, Nitish Nagesh, Brighton Nuwagira, Emma Pierson, Arvind Pillai, Akane Sano, Tanveer Syeda-Mahmood, Shashank Yadav, Elias Adhanom, Muhammad Umar Afza, Amelia Archer, Suhana Bedi, Vasiliki Bikia, Trenton Chang, George H. Chen, Winston Chen, Erica Chiang, Edward Choi, Octavia Ciora, Paz Dozie-Nnamah, Shaza Elsharief, Matthew Engelhard, Ali Eshragh, Jean Feng, Josh Fessel, Scott Fleming, Kei Sen Fong, Thomas Frost, Soham Gadgil, Judy Gichoya, Leeor Hershkovich, Sujeong Im, Bhavya Jain, Vincent Jeanselme, Furong Jia, Qixuan Jin, Yuxuan Jin, Daniel Kapash, Geetika Kapoor, Behdokht Kiafar, Matthias Kleiner, Stefan Kraft, Annika Kumar, Daeun Kyung, Zhongyuan Liang, Joanna Lin, Qianchu Liu, Chang Liu, Hongzhou Luan, Chris Lunt, Leopoldo Jul\'ian Lechuga L\'opez, Matthew B. A. McDermott, Shahriar Noroozizadeh, Connor O'Brien, YongKyung Oh, Mixail Ota, Stephen Pfohl, Meagan Pi, Tanmoy Sarkar Pias, Emma Rocheteau, Avishaan Sethi, Toru Shirakawa, Anita Silver, Neha Simha, Kamile Stankeviciute, Max Sunog, Peter Szolovits, Shengpu Tang, Jialu Tang, Aaron Tierney, John Valdovinos, Byron Wallace, Will Ke Wang, Peter Washington, Jeremy Weiss, Daniel Wolfe, Emily Wong, Hye Sun Yun, Xiaoman Zhang, Xiao Yu Cindy Zhang, Hayoung Jeong, Kaveri A. Thakoor
Abstract: The 6th Annual Conference on Health, Inference, and Learning (CHIL 2025), hosted by the Association for Health Learning and Inference (AHLI), was held in person on June 25-27, 2025, at the University of California, Berkeley, in Berkeley, California, USA. As part of this year's program, we hosted Research Roundtables to catalyze collaborative, small-group dialogue around critical, timely topics at the intersection of machine learning and healthcare. Each roundtable was moderated by a team of senior and junior chairs who fostered open exchange, intellectual curiosity, and inclusive engagement. The sessions emphasized rigorous discussion of key challenges, exploration of emerging opportunities, and collective ideation toward actionable directions in the field. In total, eight roundtables were held by 19 roundtable chairs on topics of "Explainability, Interpretability, and Transparency," "Uncertainty, Bias, and Fairness," "Causality," "Domain Adaptation," "Foundation Models," "Learning from Small Medical Data," "Multimodal Methods," and "Scalable, Translational Healthcare Solutions."
Authors: Han Ouyang, Jesse Hamilton, Saeed Amal
Abstract: We utilized a cohort of 214 meningitis patients and 46,303 non-meningitis patients from the MIMIC-III database. After extensive data preprocessing, which included ICD-based cohort selection, one-hot encoding of coding, and a two-stage feature selection process (for both the training set and the testing sets), clinically relevant features such as gender and high-risk ICD codes (including subarachnoid hemorrhage, secondary malignant neoplasm of the brain, and generalized epilepsy) are selected. Overall, these clinically reasonable and temporally adherent features provided excellent modeling performance. Three models (Random Forest, LightGBM, and Deep Neural Networks (DNN) are trained as base models for Ensemble Learning. Base model outputs are aggregated and stacked into a meta model (Logistic Regression) that uses the base model outputs as input values in training. Ultimately, soldier outputs (AUC of Testing Set 1: 0.9637, AUC of Testing Set 2: 0.9472) are obtained through ensemble learning. We created a challenging condition for diagnosing meningitis, simulating a real-world ER (Emergency Room) scenario to enhance clinical use in real-world applications. While directly deploying a diagnostic tool that clinicians can use is challenging, this paper paves the way for a potential future AI-driven diagnostic approach for meningitis using Ensemble Learning.
Authors: Giorgos Nikolaou, Tommaso Mencattini, Donato Crisostomi, Andrea Santilli, Yannis Panagakis, Emanuele Rodol\`a
Abstract: Transformer components such as non-linear activations and normalization are inherently non-injective, suggesting that different inputs could map to the same output and prevent exact recovery of the input from a model's representations. In this paper, we challenge this view. First, we prove mathematically that transformer language models mapping discrete input sequences to their corresponding sequence of continuous representations are injective and therefore lossless, a property established at initialization and preserved during training. Second, we confirm this result empirically through billions of collision tests on six state-of-the-art language models, and observe no collisions. Third, we operationalize injectivity: we introduce SipIt, the first algorithm that provably and efficiently reconstructs the exact input text from hidden activations, establishing linear-time guarantees and demonstrating exact invertibility in practice. Overall, our work establishes injectivity as a fundamental and exploitable property of language models, with direct implications for transparency, interpretability, and safe deployment.
Authors: Christian Beck, Sebastian Becker, Patrick Cheridito, Arnulf Jentzen, Ariel Neufeld
Abstract: In this article, we introduce and analyze a deep learning based approximation algorithm for SPDEs. Our approach employs neural networks to approximate the solutions of SPDEs along given realizations of the driving noise process. If applied to a set of simulated noise trajectories, it yields empirical distributions of SPDE solutions, from which functionals like the mean and variance can be estimated. We test the performance of the method on stochastic heat equations with additive and multiplicative noise as well as stochastic Black-Scholes equations with multiplicative noise and Zakai equations from nonlinear filtering theory. In all cases, the proposed algorithm yields accurate results with short runtimes in up to 100 space dimensions.
Authors: Jackson Trager, Alireza S. Ziabari, Elnaz Rahmati, Aida Mostafazadeh Davani, Preni Golazizian, Farzan Karimi-Malekabadi, Ali Omrani, Zhihe Li, Brendan Kennedy, Nils Karl Reimer, Melissa Reyes, Kelsey Cheng, Mellow Wei, Christina Merrifield, Arta Khosravi, Evans Alvarez, Morteza Dehghani
Abstract: Moral framing and sentiment can affect a variety of online and offline behaviors, including donation, environmental action, political engagement, and protest. Various computational methods in Natural Language Processing (NLP) have been used to detect moral sentiment from textual data, but achieving strong performance in such subjective tasks requires large, hand-annotated datasets. Previous corpora annotated for moral sentiment have proven valuable, and have generated new insights both within NLP and across the social sciences, but have been limited to Twitter. To facilitate improving our understanding of the role of moral rhetoric, we present the Moral Foundations Reddit Corpus, a collection of 16,123 English Reddit comments that have been curated from 12 distinct subreddits, hand-annotated by at least three trained annotators for 8 categories of moral sentiment (i.e., Care, Proportionality, Equality, Purity, Authority, Loyalty, Thin Morality, Implicit/Explicit Morality) based on the updated Moral Foundations Theory (MFT) framework. We evaluate baselines using large language models (Llama3-8B, Ministral-8B) in zero-shot, few-shot, and PEFT settings, comparing their performance to fine-tuned encoder-only models like BERT. The results show that LLMs continue to lag behind fine-tuned encoders on this subjective task, underscoring the ongoing need for human-annotated moral corpora for AI alignment evaluation. Keywords: moral sentiment annotation, moral values, moral foundations theory, multi-label text classification, large language models, benchmark dataset, evaluation and alignment resource
Authors: Marie Siew, Shikhar Sharma, Zekai Li, Kun Guo, Chao Xu, Tania Lorido-Botran, Tony Q. S. Quek, Carlee Joe-Wong
Abstract: In edge computing, users' service profiles are migrated due to user mobility. Reinforcement learning (RL) frameworks have been proposed to do so, often trained on simulated data. However, existing RL frameworks overlook occasional server failures, which although rare, impact latency-sensitive applications like autonomous driving and real-time obstacle detection. Nevertheless, these failures (rare events), being not adequately represented in historical training data, pose a challenge for data-driven RL algorithms. As it is impractical to adjust failure frequency in real-world applications for training, we introduce FIRE, a framework that adapts to rare events by training a RL policy in an edge computing digital twin environment. We propose ImRE, an importance sampling-based Q-learning algorithm, which samples rare events proportionally to their impact on the value function. FIRE considers delay, migration, failure, and backup placement costs across individual and shared service profiles. We prove ImRE's boundedness and convergence to optimality. Next, we introduce novel deep Q-learning (ImDQL) and actor critic (ImACRE) versions of our algorithm to enhance scalability. We extend our framework to accommodate users with varying risk tolerances. Through trace driven experiments, we show that FIRE reduces costs compared to vanilla RL and the greedy baseline in the event of failures.
Authors: Harsh Parikh, Marco Morucci, Vittorio Orlandi, Sudeepa Roy, Cynthia Rudin, Alexander Volfovsky
Abstract: Experimental and observational studies often lack validity due to untestable assumptions. We propose a double machine learning approach to combine experimental and observational studies, allowing practitioners to test for assumption violations and estimate treatment effects consistently. Our framework proposes a falsification test for external validity and ignorability under milder assumptions. We provide consistent treatment effect estimators even when one of the assumptions is violated. However, our no-free-lunch theorem highlights the necessity of accurately identifying the violated assumption for consistent treatment effect estimation. Through comparative analyses, we show our framework's superiority over existing data fusion methods. The practical utility of our approach is further exemplified by three real-world case studies, underscoring its potential for widespread application in empirical research.
Authors: Mohammad Dehghani, Mohadeseh Zarei Ghobadi, Mobin Mohammadi, Diyana Tehrany Dehkordy
Abstract: Objective: Identifying patients at high risk of mortality is crucial for emergency physicians to allocate hospital resources effectively, particularly in regions with limited medical services. This need becomes even more pressing during global health crises that lead to significant morbidity and mortality. This study aimed to present the usability deep neural decision forest and deep neural decision tree to predict mortality among Coronavirus disease 2019 (COVID-19) patients. To this end, We used patient data encompassing Coronavirus disease 2019 diagnosis, demographics, health indicators, and occupational risk factors to analyze disease severity and outcomes. The dataset was partitioned using a stratified sampling method, ensuring that 80% was allocated for training and 20% for testing. Nine machine learning and deep learning methods were employed to build predictive models. The models were evaluated across all stages to determine their effectiveness in predicting patient outcomes. Results: Among the models, the deep neural decision forest consistently outperformed others. Results indicated that using only clinical data yielded an accuracy of 80% by deep neural decision forest, demonstrating it as a reliable predictor of patient mortality. Moreover, the results suggest that clinical data alone may be the most accurate diagnostic tool for predicting mortality.
Authors: Charles C. Margossian, Loucas Pillaud-Vivien, Lawrence K. Saul
Abstract: Given an intractable distribution $p$, the problem of variational inference (VI) is to find the best approximation from some more tractable family $Q$. Commonly, one chooses $Q$ to be a family of factorized distributions (i.e., the mean-field assumption), even though $p$ itself does not factorize. We show that this mismatch can lead to an impossibility theorem: if $p$ does not factorize and furthermore has a non-diagonal covariance matrix, then any factorized approximation $q\!\in\!Q$ can correctly estimate at most one of the following three measures of uncertainty: (i) the marginal variances, (ii) the marginal precisions, or (iii) the generalized variance (which for elliptical distributions is closely related to the entropy). In practice, the best variational approximation in $Q$ is found by minimizing some divergence $D(q,p)$ between distributions, and so we ask: how does the choice of divergence determine which measure of uncertainty, if any, is correctly estimated by VI? We consider the classic Kullback-Leibler divergences, the more general $\alpha$-divergences, and a score-based divergence which compares $\nabla \log p$ and $\nabla \log q$. We thoroughly analyze the case where $p$ is a Gaussian and $q$ is a (factorized) Gaussian. In this setting, we show that all the considered divergences can be ordered based on the estimates of uncertainty they yield as objective functions for VI. Finally, we empirically evaluate the validity of this ordering when the target distribution $p$ is not Gaussian.
Authors: Matteo Gasparin, Aaditya Ramdas
Abstract: Conformal prediction equips machine learning models with a reasonable notion of uncertainty quantification without making strong distributional assumptions. It wraps around any prediction model and converts point predictions into set predictions with a predefined marginal coverage guarantee. However, conformal prediction only works if we fix the underlying machine learning model in advance. A relatively unaddressed issue in conformal prediction is that of model selection and/or aggregation: given a set of prediction models, which one should we conformalize? This paper suggests that instead of performing model selection, it can be prudent and practical to perform conformal set aggregation in an online, adaptive fashion. We propose a wrapper that takes in several conformal prediction sets (themselves wrapped around black-box prediction models), and outputs a single adaptively-combined prediction set. Our method, called conformal online model aggregation (COMA), is based on combining the prediction sets from several algorithms by weighted voting, and can be thought of as a sort of online stacking of the underlying conformal sets. As long as the input sets have (distribution-free) coverage guarantees, COMA retains coverage guarantees, under a negative correlation assumption between errors and weights. We verify that the assumption holds empirically in all settings considered. COMA is well-suited for decentralized or distributed settings, where different users may have different models, and are only willing to share their prediction sets for a new test point in a black-box fashion. As we demonstrate, it is also well-suited to settings with distribution drift and shift, where model selection can be imprudent.
Authors: Zhangyong Liang, Ji Zhang, Xin Wang, Pengfei Zhang, Zhao Li
Abstract: Data valuation has become a cornerstone of the modern data economy, where datasets function as tradable intellectual assets that drive decision-making, model training, and market transactions. Despite substantial progress, existing valuation methods remain limited by high computational cost, weak fairness guarantees, and poor interpretability, which hinder their deployment in large-scale, high-stakes applications. This paper introduces Neural Dynamic Data Valuation (NDDV), a new framework that formulates data valuation as a stochastic optimal control problem to capture the dynamic evolution of data utility over time. Unlike static combinatorial approaches, NDDV models data interactions through continuous trajectories that reflect both individual and collective learning dynamics.
Authors: Dominik S. Kufel, Jack Kemp, DinhDuy Vu, Simon M. Linsel, Chris R. Laumann, Norman Y. Yao
Abstract: We propose and analyze a family of approximately-symmetric neural networks for quantum spin liquid problems. These tailored architectures are parameter-efficient, scalable, and significantly outperform existing symmetry-unaware neural network architectures. Utilizing the mixed-field toric code and PXP Rydberg Hamiltonian models, we demonstrate that our approach is competitive with the state-of-the-art tensor network and quantum Monte Carlo methods. Moreover, at the largest system sizes (N = 480 for toric code, N=1584 for Rydberg PXP), our method allows us to explore Hamiltonians with sign problems beyond the reach of both quantum Monte Carlo and finite-size matrix-product states. The network comprises an exactly symmetric block following a non-symmetric block, which we argue learns a transformation of the ground state analogous to quasiadiabatic continuation. Our work paves the way toward investigating quantum spin liquid problems within interpretable neural network architectures.
Authors: Matthew Fahrbach, Srikumar Ramalingam, Morteza Zadimoghaddam, Sara Ahmadian, Gui Citovsky, Giulia DeSalvo
Abstract: This work studies a novel subset selection problem called max-min diversification with monotone submodular utility ($\textsf{MDMS}$), which has a wide range of applications in machine learning, e.g., data sampling and feature selection. Given a set of points in a metric space, the goal of $\textsf{MDMS}$ is to maximize $f(S) = g(S) + \lambda \cdot \texttt{div}(S)$ subject to a cardinality constraint $|S| \le k$, where $g(S)$ is a monotone submodular function and $\texttt{div}(S) = \min_{u,v \in S : u \ne v} \text{dist}(u,v)$ is the max-min diversity objective. We propose the $\texttt{GIST}$ algorithm, which gives a $\frac{1}{2}$-approximation guarantee for $\textsf{MDMS}$ by approximating a series of maximum independent set problems with a bicriteria greedy algorithm. We also prove that it is NP-hard to approximate within a factor of $0.5584$. Finally, we show in our empirical study that $\texttt{GIST}$ outperforms state-of-the-art benchmarks for a single-shot data sampling task on ImageNet.
Authors: Ruohan Zhan, Shichao Han, Yuchen Hu, Zhenling Jiang
Abstract: Recommender systems are essential for content-sharing platforms by curating personalized content. To improve recommender systems, platforms frequently rely on creator-side randomized experiments to evaluate algorithm updates. We show that commonly adopted difference-in-means estimators can lead to severely biased estimates due to recommender interference, where treated and control creators compete for exposure. This bias can result in incorrect business decisions. To address this, we propose a ``recommender choice model'' that explicitly represents the interference pathway. The approach combines a structural choice framework with neural networks to account for rich viewer-content heterogeneity. Building on this foundation, we develop a debiased estimator using the double machine learning (DML) framework to adjust for errors from nuisance component estimation. We show that the estimator is $\sqrt{n}$-consistent and asymptotically normal, and we extend the DML theory to handle correlated data, which arise in our context due to overlapped items. We validate our method with a large-scale field experiment on Weixin short-video platform, using a costly double-sided randomization design to obtain an interference-free ground truth. Our results show that the proposed estimator successfully recovers this ground truth, whereas benchmark estimators exhibit substantial bias, and in some cases, yield reversed signs.
Authors: Ling Li, Yu Ye, Yao Zhou, Wei Zeng
Abstract: This work tackles the problem of geo-localization with a new paradigm using a large vision-language model (LVLM) augmented with human inference knowledge. A primary challenge here is the scarcity of data for training the LVLM - existing street-view datasets often contain numerous low-quality images lacking visual clues, and lack any reasoning inference. To address the data-quality issue, we devise a CLIP-based network to quantify the degree of street-view images being locatable, leading to the creation of a new dataset comprising highly locatable street views. To enhance reasoning inference, we integrate external knowledge obtained from real geo-localization games, tapping into valuable human inference capabilities. The data are utilized to train GeoReasoner, which undergoes fine-tuning through dedicated reasoning and location-tuning stages. Qualitative and quantitative evaluations illustrate that GeoReasoner outperforms counterpart LVLMs by more than 25% at country-level and 38% at city-level geo-localization tasks, and surpasses StreetCLIP performance while requiring fewer training resources. The data and code are available at https://github.com/lingli1996/GeoReasoner.
Authors: Yonatan Urman, Zachary Shah, Ashwin Kumar, Bruno P. Soares, Kawin Setsompop
Abstract: Purpose: To accelerate MRI acquisition by incorporating the previous scans of a subject during reconstruction. Although longitudinal imaging constitutes much of clinical MRI, leveraging previous scans is challenging due to the complex relationship between scan sessions, potentially involving substantial anatomical or pathological changes, and the lack of open-access datasets with both longitudinal pairs and raw k-space needed for training deep learning-based reconstruction models. Methods: We propose a diffusion-model-based reconstruction framework that eliminates the need for longitudinally paired training data. During training, we treat all scan timepoints as samples from the same distribution, therefore requiring only standalone images. At inference, our framework integrates a subject's prior scan in magnitude DICOM format, which is readily available in clinical workflows, to guide reconstruction of the follow-up. To support future development, we introduce an open-access clinical dataset containing multi-session pairs including prior DICOMs and follow-up k-space. Results: Our method consistently outperforms both longitudinal and non-longitudinal baseline reconstruction methods across various accelerated Cartesian acquisition strategies. In imaging regions highly similar to the prior scan, we observe up to 10\% higher SSIM and 2 dB higher PSNR, without degradation in dissimilar areas. Compared to longitudinal reconstruction baselines, our method demonstrates robustness to varying degrees of anatomical change and misregistration. Conclusion: We demonstrate that prior scans can be effectively integrated with state-of-the-art diffusion-based reconstruction methods to improve image quality and enable greater scan acceleration, without requiring an extensive longitudinally-paired training dataset.
Authors: Chenguang Duan, Yuling Jiao, Huazhen Lin, Wensen Ma, Jerry Zhijian Yang
Abstract: Learning transferable data representations from abundant unlabeled data remains a central challenge in machine learning. Although numerous self-supervised learning methods have been proposed to address this challenge, a significant class of these approaches aligns the covariance or correlation matrix with the identity matrix. Despite impressive performance across various downstream tasks, these methods often suffer from biased sample risk, leading to substantial optimization shifts in mini-batch settings and complicating theoretical analysis. In this paper, we introduce a novel \underline{\bf Adv}ersarial \underline{\bf S}elf-\underline{\bf S}upervised Representation \underline{\bf L}earning (Adv-SSL) for unbiased transfer learning with no additional cost compared to its biased counterparts. Our approach not only outperforms the existing methods across multiple benchmark datasets but is also supported by comprehensive end-to-end theoretical guarantees. Our analysis reveals that the minimax optimization in Adv-SSL encourages representations to form well-separated clusters in the embedding space, provided there is sufficient upstream unlabeled data. As a result, our method achieves strong classification performance even with limited downstream labels, shedding new light on few-shot learning.
Authors: Dongwon Jung, Qin Liu, Tenghao Huang, Ben Zhou, Muhao Chen
Abstract: Retrieval-augmented generation (RAG) improves large language models (LMs) by incorporating non-parametric knowledge through evidence retrieved from external sources. However, it often struggles to cope with inconsistent and irrelevant information that can distract the LM from its tasks, especially when multiple evidence pieces are required. While compressing the retrieved evidence with a compression model aims to address this issue, the compressed evidence may still be unfamiliar to the target model used for downstream tasks, potentially failing to utilize the evidence effectively. We propose FaviComp (Familarity-Aware Evidence Compression), a novel training-free evidence compression technique that makes retrieved evidence more familiar to the target model, while seamlessly integrating parametric knowledge from the model. Experimental results show that FaviComp consistently outperforms most recent evidence compression baselines across multiple open-domain QA datasets, improving accuracy by up to 28.1% while achieving high compression rates. Additionally, we demonstrate the effective integration of both parametric and non-parametric knowledge during evidence compression.
Authors: Clemens Arndt, Judith Nickel
Abstract: Learning-based methods have demonstrated remarkable performance in solving inverse problems, particularly in image reconstruction tasks. Despite their success, these approaches often lack theoretical guarantees, which are crucial in sensitive applications such as medical imaging. Recent works by Arndt et al addressed this gap by analyzing a data-driven reconstruction method based on invertible residual networks (iResNets). They revealed that, under reasonable assumptions, this approach constitutes a convergent regularization scheme. However, the performance of the reconstruction method was only validated on academic toy problems and small-scale iResNet architectures. In this work, we address this gap by evaluating the performance of iResNets on two real-world imaging tasks: a linear blurring operator and a nonlinear diffusion operator. To do so, we compare the performance of iResNets against state-of-the-art neural networks, revealing their competitiveness at the expense of longer training times. Moreover, we numerically demonstrate the advantages of the iResNet's inherent stability and invertibility by showcasing increased robustness across various scenarios as well as interpretability of the learned operator, thereby reducing the black-box nature of the reconstruction scheme.
Authors: Kyle Stein, Arash Mahyari, Guillermo Francia III, Eman El-Sheikh
Abstract: As networks continue to expand and become more interconnected, the need for novel malware detection methods becomes more pronounced. Traditional security measures are increasingly inadequate against the sophistication of modern cyber attacks. Deep Packet Inspection (DPI) has been pivotal in enhancing network security, offering an in-depth analysis of network traffic that surpasses conventional monitoring techniques. DPI not only examines the metadata of network packets, but also dives into the actual content being carried within the packet payloads, providing a comprehensive view of the data flowing through networks. While the integration of advanced deep learning techniques with DPI has introduced modern methodologies into malware detection and network traffic classification, state-of-the-art supervised learning approaches are limited by their reliance on large amounts of annotated data and their inability to generalize to novel, unseen malware threats. To address these limitations, this paper leverages the recent advancements in self-supervised learning (SSL) and few-shot learning (FSL). Our proposed self-supervised approach trains a transformer via SSL to learn the embedding of packet content, including payload, from vast amounts of unlabeled data by masking portions of packets, leading to a learned representation that generalizes to various downstream tasks. Once the representation is extracted from the packets, they are used to train a malware detection algorithm. The representation obtained from the transformer is then used to adapt the malware detector to novel types of attacks using few-shot learning approaches. Our experimental results demonstrate that our method achieves classification accuracies of up to 94.76% on the UNSW-NB15 dataset and 83.25% on the CIC-IoT23 dataset.
Authors: Juno Nam, Sulin Liu, Gavin Winter, KyuJung Jun, Soojung Yang, Rafael G\'omez-Bombarelli
Abstract: Atomic transport underpins the performance of materials in technologies such as energy storage and electronics, yet its simulation remains computationally demanding. In particular, modeling ionic diffusion in solid-state electrolytes (SSEs) requires methods that can overcome the scale limitations of traditional ab initio molecular dynamics (AIMD). We introduce LiFlow, a generative framework to accelerate MD simulations for crystalline materials that formulates the task as conditional generation of atomic displacements. The model uses flow matching, with a Propagator submodel to generate atomic displacements and a Corrector to locally correct unphysical geometries, and incorporates an adaptive prior based on the Maxwell-Boltzmann distribution to account for chemical and thermal conditions. We benchmark LiFlow on a dataset comprising 25-ps trajectories of lithium diffusion across 4,186 SSE candidates at four temperatures. The model obtains a consistent Spearman rank correlation of 0.7-0.8 for lithium mean squared displacement (MSD) predictions on unseen compositions. Furthermore, LiFlow generalizes from short training trajectories to larger supercells and longer simulations while maintaining high accuracy. With speed-ups of up to 600,000$\times$ compared to first-principles methods, LiFlow enables scalable simulations at significantly larger length and time scales.
Authors: Chongyu Fan, Jiancheng Liu, Licong Lin, Jinghan Jia, Ruiqi Zhang, Song Mei, Sijia Liu
Abstract: This work studies the problem of large language model (LLM) unlearning, aiming to remove unwanted data influences (e.g., copyrighted or harmful content) while preserving model utility. Despite the increasing demand for unlearning, a technically-grounded optimization framework is lacking. Gradient ascent (GA)-type methods, though widely used, are suboptimal as they reverse the learning process without controlling optimization divergence (i.e., deviation from the pre-trained state), leading to risks of over-forgetting and potential model collapse. Negative preference optimization (NPO) has been proposed to address this issue and is considered one of the state-of-the-art LLM unlearning approaches. In this work, we revisit NPO and identify another critical issue: reference model bias. This bias arises from using the reference model (i.e., the model prior to unlearning) to evaluate the unlearning success, which can compromise NPO's effectiveness. Specifically, it leads to (a) uneven allocation of optimization power across forget data with varying difficulty levels and (b) ineffective gradient weight smoothing during the early stages of unlearning optimization. To overcome these challenges, we propose a simple yet effective unlearning optimization framework, called SimNPO, showing that `simplicity' in removing the reliance on a reference model (through the lens of simple preference optimization) benefits unlearning. We provide deeper insights into SimNPO's advantages through an analysis based on mixtures of Markov chains. Extensive experiments further validate SimNPO's efficacy on benchmarks like TOFU and MUSE, as well as its robustness against relearning attacks. Codes are available at https://github.com/OPTML-Group/Unlearn-Simple.
Authors: Kyuseong Choi, Jacob Feitelberg, Caleb Chin, Anish Agarwal, Raaz Dwivedi
Abstract: Consider a setting with multiple units (e.g., individuals, cohorts, geographic locations) and outcomes (e.g., treatments, times, items), where the goal is to learn a multivariate distribution for each unit-outcome entry, such as the distribution of a user's weekly spend and engagement under a specific mobile app version. A common challenge is the prevalence of missing not at random data, where observations are available only for certain unit-outcome combinations and the observation availability can be correlated with the properties of distributions themselves, i.e., there is unobserved confounding. An additional challenge is that for any observed unit-outcome entry, we only have a finite number of samples from the underlying distribution. We tackle these two challenges by casting the problem into a novel distributional matrix completion framework and introduce a kernel based distributional generalization of nearest neighbors to estimate the underlying distributions. By leveraging maximum mean discrepancies and a suitable factor model on the kernel mean embeddings of the underlying distributions, we establish consistent recovery of the underlying distributions even when data is missing not at random and positivity constraints are violated. Furthermore, we demonstrate that our nearest neighbors approach is robust to heteroscedastic noise, provided we have access to two or more measurements for the observed unit-outcome entries, a robustness not present in prior works on nearest neighbors with single measurements.
Authors: Vitaly Vanchurin
Abstract: We establish a duality relation between Hamiltonian systems and neural network-based learning systems. We show that the Hamilton's equations for position and momentum variables correspond to the equations governing the activation dynamics of non-trainable variables and the learning dynamics of trainable variables. The duality is then applied to model various field theories using the activation and learning dynamics of neural networks. For Klein-Gordon fields, the corresponding weight tensor is symmetric, while for Dirac fields, the weight tensor must contain an anti-symmetric tensor factor. The dynamical components of the weight and bias tensors correspond, respectively, to the temporal and spatial components of the gauge field.
Authors: Wenjie Li, Jiawei Li, Pengcheng Zeng, Christian Schroeder de Witt, Ameya Prabhu, Amartya Sanyal
Abstract: Addressing data integrity challenges, such as unlearning the effects of data poisoning after model training, is necessary for the reliable deployment of machine learning models. State-of-the-art influence functions, such as EK-FAC and TRAK, often fail to accurately attribute abnormal model behavior to the specific poisoned training data responsible for the data poisoning attack. In addition, traditional unlearning algorithms often struggle to effectively remove the influence of poisoned samples, particularly when only a few affected examples can be identified. To address these challenge, we introduce $\Delta$-Influence, a novel approach that leverages influence functions to trace abnormal model behavior back to the responsible poisoned training data using as little as just one poisoned test example. $\Delta$-Influence applies data transformations that sever the link between poisoned training data and compromised test points without significantly affecting clean data. This allows $\Delta$-Influence to detect large negative shifts in influence scores following data transformations, a phenomenon we term as influence collapse, thereby accurately identifying poisoned training data. Unlearning this subset, e.g. through retraining, effectively eliminates the data poisoning. We validate our method across three vision-based poisoning attacks and three datasets, benchmarking against five detection algorithms and five unlearning strategies. We show that $\Delta$-Influence consistently achieves the best unlearning across all settings, showing the promise of influence functions for corrective unlearning. Our code is publicly available at: https://github.com/Ruby-a07/delta-influence
Authors: Palak (Microsoft Research India), Tella Rajashekhar Reddy (Microsoft Research India), Bhaskar Kataria (Cornell University USA), Rohan Gandhi (Microsoft Research India), Karan Tandon (Microsoft Research India), Debopam Bhattacherjee (Microsoft Research India), Venkata N. Padmanabhan (Microsoft Research India)
Abstract: The widespread adoption of language models (LMs) has caused a huge surge in demand for GPUs. Training large LMs requires tens of thousands of GPUs and housing them in the same datacenter (DC) is a challenge due to many constraints including availability of peak power. We focus on training such models across multiple DCs connected via the Wide-Area-Network (WAN). We built Atlas that speeds up the training time using novel workload-aware temporal bandwidth sharing and other design choices. While Atlas improves the training time, it does not completely eliminate the bubbles (idle GPU cycles). We built BubbleTea that runs prefill-as-a-service (part of LM inference) during the bubbles thus improving the GPU utilization without any impact on training. Compared to state-of-the-art designs, Atlas and BubbleTea together achieve up to 17x faster training, and up to 94% GPU utilization. The code will be open-sourced.
Authors: Jaemin Kim, Bryan Sangwoo Kim, Jong Chul Ye
Abstract: Diffusion models have achieved impressive results in generative tasks for text-to-video (T2V) synthesis. However, achieving accurate text alignment in T2V generation remains challenging due to the complex temporal dependencies across frames. Existing reinforcement learning (RL)-based approaches to enhance text alignment often require differentiable reward functions trained for videos, hindering their scalability and applicability. In this paper, we propose \textbf{Free$^2$Guide}, a novel gradient-free and training-free framework for aligning generated videos with text prompts. Specifically, leveraging principles from path integral control, Free$^2$Guide approximates guidance for diffusion models using non-differentiable reward functions, thereby enabling the integration of powerful black-box Large Vision-Language Models (LVLMs) as reward models. To enable image-trained LVLMs to assess text-to-video alignment, we leverage \textit{stitching} between video frames and use system prompts to capture sequential attributions. Our framework supports the flexible ensembling of multiple reward models to synergistically enhance alignment without significant computational overhead. Experimental results confirm that Free$^2$Guide using image-trained LVLMs significantly improves text-to-video alignment, thereby enhancing the overall video quality. Our results and code are available at https://kjm981995.github.io/free2guide/
Authors: Selim Furkan Tekin, Fatih Ilhan, Tiansheng Huang, Sihao Hu, Yichang Xu, Zachary Yahn, Ling Liu
Abstract: The alignment of pre-trained LLMs continues to draw significant attention from both industry and academia, aiming to ensure responses that are helpful, harmless, and honest. However, identifying a point in the model's representation subspace that simultaneously satisfies all these properties remains challenging. H3Fusion addresses this challenge by introducing a mixture-of-experts (MoE)-based fusion mechanism that models alignment as a controllable drift within the subspace, guided by a drift-regularization loss to balance competing alignment dimensions. Furthermore, we formulate the alignment by finding a dual objective of harnessing the distance of generated embeddings and alignment embeddings, and introduce a gating loss by canalizing the activations on the contributing experts. Extensive evaluations of three benchmark datasets show that H3Fusion is more helpful, less harmful, and more honest in three aspects: it outperforms each individually aligned model by 11.37%, and provides stronger robustness compared to the state-of-the-art LLM ensemble approaches by 13.77% and model-merging approaches by 6.18%. Code is available at https://github.com/sftekin/h3fusion.
Authors: Andreas C. Schneider, Valentin Neuhaus, David A. Ehrlich, Abdullah Makkeh, Alexander S. Ecker, Viola Priesemann, Michael Wibral
Abstract: In modern deep neural networks, the learning dynamics of the individual neurons is often obscure, as the networks are trained via global optimization. Conversely, biological systems build on self-organized, local learning, achieving robustness and efficiency with limited global information. We here show how self-organization between individual artificial neurons can be achieved by designing abstract bio-inspired local learning goals. These goals are parameterized using a recent extension of information theory, Partial Information Decomposition (PID), which decomposes the information that a set of information sources holds about an outcome into unique, redundant and synergistic contributions. Our framework enables neurons to locally shape the integration of information from various input classes, i.e. feedforward, feedback, and lateral, by selecting which of the three inputs should contribute uniquely, redundantly or synergistically to the output. This selection is expressed as a weighted sum of PID terms, which, for a given problem, can be directly derived from intuitive reasoning or via numerical optimization, offering a window into understanding task-relevant local information processing. Achieving neuron-level interpretability while enabling strong performance using local learning, our work advances a principled information-theoretic foundation for local learning strategies.
Authors: Zeru Shi, Zhenting Wang, Yongye Su, Weidi Luo, Hang Gao, Fan Yang, Ruixiang Tang, Yongfeng Zhang
Abstract: While automatic prompt generation methods have recently received significant attention, their robustness remains poorly understood. In this paper, we introduce PertBench, a comprehensive benchmark dataset that includes a wide range of input perturbations, designed to systematically evaluate the robustness of current auto-prompting techniques. Our analysis reveals substantial vulnerabilities in existing prompt generation strategies, where even minor modifications to the prompt can lead to significant differences in model output. To address this issue, we propose PGO, a gradient-free prompt generation framework that leverages perturbation types as pseudo-gradient signals to guide LLMs in producing more robust prompts. In contrast to existing methods that assess prompt quality only on clean, well-structured inputs, our approach explicitly emphasizes robustness under noisy and perturbed conditions. Extensive experiments across diverse tasks and multiple LLMs show PGO consistently outperforms previous methods in maintaining performance under input perturbations.
Authors: Ryan Cory-Wright, Jean Pauphilet
Abstract: Inspired by the impact of the Goemans-Williamson algorithm on combinatorial optimization, we construct an analogous relax-then-round strategy for low-rank optimization problems. First, for orthogonally constrained quadratic optimization problems, we derive a semidefinite relaxation and a randomized rounding scheme that obtains provably near-optimal solutions, building on the blueprint from Goemans and Williamson for the Max-Cut problem. For a given $n \times m$ semi-orthogonal matrix, we derive a purely multiplicative approximation ratio for our algorithm, and show that it is never worse than $\max(2/(\pi m), 1/(\pi(\log (2m)+1)))$. We also show how to compute a tighter constant for a finite $(n,m)$ by solving a univariate optimization problem. We then extend our approach to generic low-rank optimization problems by developing new semidefinite relaxations that are both tighter and more broadly applicable than those in prior works. Although our original proposal introduces large semidefinite matrices as decision variables, we show that most of the blocks in these matrices can be safely omitted without altering the optimal value, hence improving the scalability of our approach. Using several examples (including matrix completion, basis pursuit, and reduced-rank regression), we show how to reduce the size of our relaxation even further. Finally, we numerically illustrate the effectiveness and scalability of our relaxation and sampling scheme on orthogonally constrained quadratic optimization and matrix completion problems.
Authors: Kirandeep Kaur, Vinayak Gupta, Manya Chadha, Chirag Shah
Abstract: Conventional recommendation systems (RSs) are typically optimized to enhance performance metrics uniformly across all training samples, inadvertently overlooking the needs of diverse user populations. The performance disparity among various populations can harm the model's robustness to sub-populations due to the varying user properties. While large language models (LLMs) show promise in enhancing RS performance, their practical applicability is hindered by high costs, inference latency, and degraded performance on long user queries. To address these challenges, we propose a hybrid task allocation framework designed to promote social good by equitably serving all user groups. By adopting a two-phase approach, we promote a strategic assignment of tasks for efficient and responsible adaptation of LLMs. Our strategy works by first identifying the weak and inactive users that receive a suboptimal ranking performance by RSs. Next, we use an in-context learning approach for such users, wherein each user interaction history is contextualized as a distinct ranking task. We evaluate our hybrid framework by incorporating eight different recommendation algorithms and three different LLMs -- both open and close-sourced. Our results on three real-world datasets show a significant reduction in weak users and improved robustness to subpopulations without disproportionately escalating costs.
Authors: Anthony Bardou, Patrick Thiran
Abstract: Time-Varying Bayesian Optimization (TVBO) is the go-to framework for optimizing a time-varying, expensive, noisy black-box function $f$. However, most of the asymptotic guarantees offered by TVBO algorithms rely on the assumption that observations are acquired at a constant frequency. As the GP inference complexity scales with the cube of its dataset size, this assumption is unrealistic in the long run. In this paper, we relax this assumption and derive the first upper regret bound that explicitly accounts for changes in the observations sampling frequency. Based on this analysis, we formulate practical recommendations about dataset sizes and stale data policies of TVBO algorithms. We illustrate how an algorithm (BOLT) that follows these recommendations performs better than the state-of-the-art of TVBO through experiments on synthetic and real-world problems.
Authors: Zelai Xu, Ruize Zhang, Chao Yu, Huining Yuan, Xiangmin Yi, Shilong Ji, Chuqi Wang, Wenhao Tang, Feng Gao, Wenbo Ding, Xinlei Chen, Yu Wang
Abstract: Robot sports, characterized by well-defined objectives, explicit rules, and dynamic interactions, present ideal scenarios for demonstrating embodied intelligence. In this paper, we present VolleyBots, a novel robot sports testbed where multiple drones cooperate and compete in the sport of volleyball under physical dynamics. VolleyBots integrates three features within a unified platform: competitive and cooperative gameplay, turn-based interaction structure, and agile 3D maneuvering. These intertwined features yield a complex problem combining motion control and strategic play, with no available expert demonstrations. We provide a comprehensive suite of tasks ranging from single-drone drills to multi-drone cooperative and competitive tasks, accompanied by baseline evaluations of representative reinforcement learning (RL), multi-agent reinforcement learning (MARL) and game-theoretic algorithms. Simulation results show that on-policy RL methods outperform off-policy methods in single-agent tasks, but both approaches struggle in complex tasks that combine motion control and strategic play. We additionally design a hierarchical policy which achieves 69.5% win rate against the strongest baseline in the 3 vs 3 task, demonstrating its potential for tackling the complex interplay between low-level control and high-level strategy. To highlight VolleyBots' sim-to-real potential, we further demonstrate the zero-shot deployment of a policy trained entirely in simulation on real-world drones.
Authors: Sharana Dharshikgan Suresh Dass, Hrishav Bakul Barua, Ganesh Krishnasamy, Raveendran Paramesran, Raphael C. -W. Phan
Abstract: Action recognition in dark or low-light (under-exposed) videos is a challenging task due to visibility degradation, which can hinder critical spatiotemporal details. This paper proposes ActLumos, a teacher-student framework that attains single-stream inference while retaining multi-stream level accuracy. The teacher consumes dual stream inputs, which include original dark frames and retinex-enhanced frames, processed by weight-shared R(2+1)D-34 backbones and fused by a Dynamic Feature Fusion (DFF) module, which dynamically re-weights the two streams at each time step, emphasising the most informative temporal segments. The teacher is also included with a supervised contrastive loss (SupCon) that sharpens class margins. The student shares the R(2+1)D-34 backbone but uses only dark frames and no fusion at test time. The student is first pre-trained with self-supervision on dark clips of both datasets without their labels and then fine-tuned with knowledge distillation from the teacher, transferring the teacher's multi-stream knowledge into a single-stream model. Under single-stream inference, the distilled student attains state-of-the-art accuracy of 96.92% (Top-1) on ARID V1.0, 88.27% on ARID V1.5, and 48.96% on Dark48. Ablation studies further highlight the individual contributions of each component, i.e., DFF in the teacher outperforms single or static fusion, knowledge distillation (KD) transfers these gains to the single-stream student, and two-view spatio-temporal SSL surpasses spatial-only or temporal-only variants without increasing inference cost. The official website of this work is available at: https://github.com/HrishavBakulBarua/ActLumos
Authors: Yongcheng Zeng, Xinyu Cui, Xuanfa Jin, Qirui Mi, Guoqing Liu, Zexu Sun, Mengyue Yang, Dong Li, Weiyu Ma, Ning Yang, Jian Zhao, Jianye Hao, Haifeng Zhang, Jun Wang
Abstract: Self-Refinement refers to a model's ability to revise its own responses to produce improved outputs. This capability can also serve as a fundamental mechanism for Self-Improvement, for example, by reconstructing datasets with refined results to enhance intrinsic model performance. However, our comprehensive experiments reveal that large language models (LLMs) show no clear evidence of inherent Self-Refinement and may even experience response quality degradation after Self-Refinement. To address this issue, we propose EVOLVE, a simple and effective framework for eliciting and tracking the evolution of Self-Refinement through iterative training. We first explore optimization methods during training to activate the model's Self-Refinement capability. Then, at inference, we investigate various generation strategies to further enhance and utilize Self-Refinement while supplying the necessary data for training. Through synergistic optimization of training and inference stages, we continually evolve the model's Self-Refinement ability, enabling it to better refine its own responses. Moreover, we demonstrate the potential of leveraging Self-Refinement to achieve broader Self-Improvement of intrinsic model abilities. Experiments show that the evolved Self-Refinement ability enables the Llama-3.1-8B base model to surpass GPT-4o, achieving 62.3% length-controlled and 63.3% raw win rates on AlpacaEval 2, and 50.3% on Arena-Hard. It also generalizes effectively to out-of-domain reasoning tasks, improving performance on mathematical reasoning benchmarks such as GSM8K and MATH.
Authors: Jonathan Pofcher, Christopher M. Homan, Randall Sell, Ashiqur R. KhudaBukhsh
Abstract: This paper makes three contributions. First, via a substantial corpus of 1,419,047 comments posted on 3,161 YouTube news videos of major US cable news outlets, we analyze how users engage with LGBTQ+ news content. Our analyses focus both on positive and negative content. In particular, we construct a fine-grained hope speech classifier that detects positive (hope speech), negative, neutral, and irrelevant content. Second, in consultation with a public health expert specializing on LGBTQ+ health, we conduct an annotation study with a balanced and diverse political representation and release a dataset of 3,750 instances with fine-grained labels and detailed annotator demographic information. Finally, beyond providing a vital resource for the LGBTQ+ community, our annotation study and subsequent in-the-wild assessments reveal (1) strong association between rater political beliefs and how they rate content relevant to a marginalized community; (2) models trained on individual political beliefs exhibit considerable in-the-wild disagreement; and (3) zero-shot large language models (LLMs) align more with liberal raters.
Authors: Shen Nie, Fengqi Zhu, Zebin You, Xiaolu Zhang, Jingyang Ou, Jun Hu, Jun Zhou, Yankai Lin, Ji-Rong Wen, Chongxuan Li
Abstract: The capabilities of large language models (LLMs) are widely regarded as relying on autoregressive models (ARMs). We challenge this notion by introducing LLaDA, a diffusion model trained from scratch under the pre-training and supervised fine-tuning (SFT) paradigm. LLaDA employs a forward data masking process and a reverse generation process, parameterized by a Transformer to predict masked tokens. It provides a principled generative approach for probabilistic inference by optimizing a likelihood lower bound. Across extensive benchmarks on general tasks, math, code, and so on, LLaDA demonstrates strong scalability and performs comparably to our self-constructed ARM baselines. Remarkably, LLaDA 8B is competitive with strong LLMs like LLaMA3 8B in in-context learning and, after SFT, exhibits impressive instruction-following abilities in case studies such as multi-turn dialogue. Moreover, LLaDA addresses the reversal curse, surpassing GPT-4o in a reversal poem completion task. Our findings show the promise of diffusion models for language modeling at scale and challenge the common assumption that core LLM capabilities discussed above inherently depend on ARMs. Project page and codes: https://ml-gsai.github.io/LLaDA-demo/.
Authors: Vittorio Fra
Abstract: Hyperparameter optimization (HPO) is of paramount importance in the development of high-performance, specialized artificial intelligence (AI) models, ranging from well-established machine learning (ML) solutions to the deep learning (DL) domain and the field of spiking neural networks (SNNs). The latter introduce further complexity due to the neuronal computational units and their additional hyperparameters, whose inadequate setting can dramatically impact the final model performance. At the cost of possible reduced generalization capabilities, the most suitable strategy to fully disclose the power of SNNs is to adopt an application-oriented approach and perform extensive HPO experiments. To facilitate these operations, automatic pipelines are fundamental, and their configuration is crucial. In this document, the Neural Network Intelligence (NNI) toolkit is used as reference framework to present one such solution, with a use case example providing evidence of the corresponding results. In addition, a summary of published works employing the presented pipeline is reported as a potential source of insights into application-oriented HPO experiments for SNN prototyping.
Authors: Ruida Hu, Chao Peng, Xinchen Wang, Junjielong Xu, Cuiyun Gao
Abstract: Scaling up executable code data is significant for improving language models' software engineering capability. The intricate nature of the process makes it labor-intensive, time-consuming and expert-knowledge-dependent to build a large number of executable code repositories, limiting the scalability of existing work based on running tests. The primary bottleneck lies in the automated building of test environments for different repositories, which is an essential yet underexplored task. To mitigate the gap, we introduce Repo2Run, the first LLM-based agent aiming at automating the building of executable test environments for any repositories at scale. Specifically, given a code repository, Repo2Run iteratively builds the Docker image, runs unit tests based on the feedback of the building, and synthesizes the Dockerfile until the entire pipeline is executed successfully. The resulting Dockerfile can then be used to create Docker container environments for running code and tests. We created a benchmark containing 420 Python repositories with unit tests for evaluation. The results illustrate that Repo2Run achieves an 86.0% success rate, outperforming SWE-agent by 77.0%. The resources of Repo2Run are available at https://github.com/bytedance/Repo2Run.
Authors: Zhangqi Duan, Nigel Fernandez, Arun Balajiee Lekshmi Narayanan, Mohammad Hassany, Rafaella Sampaio de Alencar, Peter Brusilovsky, Bita Akram, Andrew Lan
Abstract: Knowledge components (KCs) mapped to problems help model student learning, tracking their mastery levels on fine-grained skills thereby facilitating personalized learning and feedback in online learning platforms. However, crafting and tagging KCs to problems, traditionally performed by human domain experts, is highly labor intensive. We present an automated, LLM-based pipeline for KC generation and tagging for open-ended programming problems. We also develop an LLM-based knowledge tracing (KT) framework to leverage these LLM-generated KCs, which we refer to as KCGen-KT. We conduct extensive quantitative and qualitative evaluations on two real-world student code submission datasets in different programming languages.We find that KCGen-KT outperforms existing KT methods and human-written KCs on future student response prediction. We investigate the learning curves of generated KCs and show that LLM-generated KCs result in a better fit than human written KCs under a cognitive model. We also conduct a human evaluation with course instructors to show that our pipeline generates reasonably accurate problem-KC mappings.
Authors: Harsh Sharma, Juan Diego Draxl Giannoni, Boris Kramer
Abstract: Existing model reduction techniques for high-dimensional models of conservative partial differential equations (PDEs) encounter computational bottlenecks when dealing with systems featuring non-polynomial nonlinearities. This work presents a nonlinear model reduction method that employs lifting variable transformations to derive structure-preserving quadratic reduced-order models for conservative PDEs with general nonlinearities. We present an energy-quadratization strategy that defines the auxiliary variable in terms of the nonlinear term in the energy expression to derive an equivalent quadratic lifted system with quadratic system energy. The proposed strategy combined with proper orthogonal decomposition model reduction yields quadratic reduced-order models that conserve the quadratized lifted energy exactly in high dimensions. We demonstrate the proposed model reduction approach on four nonlinear conservative PDEs: the one-dimensional wave equation with exponential nonlinearity, the two-dimensional sine-Gordon equation, the two-dimensional Klein-Gordon equation with parametric dependence, and the two-dimensional Klein-Gordon-Zakharov equations. The numerical results show that the proposed lifting approach is competitive with the state-of-the-art structure-preserving hyper-reduction method in terms of both accuracy and computational efficiency in the online stage while providing significant computational gains in the offline stage.
Authors: Chiara Cappellino, Gianluca Mancusi, Matteo Mosconi, Angelo Porrello, Simone Calderara, Rita Cucchiara
Abstract: Open-Vocabulary object detectors can generalize to an unrestricted set of categories through simple textual prompting. However, adapting these models to rare classes or reinforcing their abilities on multiple specialized domains remains essential. While recent methods rely on monolithic adaptation strategies with a single set of weights, we embrace modular deep learning. We introduce DitHub, a framework designed to build and maintain a library of efficient adaptation modules. Inspired by Version Control Systems, DitHub manages expert modules as branches that can be fetched and merged as needed. This modular approach allows us to conduct an in-depth exploration of the compositional properties of adaptation modules, marking the first such study in Object Detection. Our method achieves state-of-the-art performance on the ODinW-13 benchmark and ODinW-O, a newly introduced benchmark designed to assess class reappearance. For more details, visit our project page: https://aimagelab.github.io/DitHub/
Authors: Julia Romberg, Christopher Schr\"oder, Julius Gonsior, Katrin Tomanek, Fredrik Olsson
Abstract: Supervised learning relies on data annotation which usually is time-consuming and therefore expensive. A longstanding strategy to reduce annotation costs is active learning, an iterative process, in which a human annotates only data instances deemed informative by a model. Research in active learning has made considerable progress, especially with the rise of large language models (LLMs). However, we still know little about how these remarkable advances have translated into real-world applications, or contributed to removing key barriers to active learning adoption. To fill in this gap, we conduct an online survey in the NLP community to collect previously intangible insights on current implementation practices, common obstacles in application, and future prospects in active learning. We also reassess the perceived relevance of data annotation and active learning as fundamental assumptions. Our findings show that data annotation is expected to remain important and active learning to stay relevant while benefiting from LLMs. Consistent with a community survey from over 15 years ago, three key challenges yet persist -- setup complexity, uncertain cost reduction, and tooling -- for which we propose alleviation strategies. We publish an anonymized version of the dataset.
Authors: Baturalp Yalcin, Jihun Kim, Javad Lavaei
Abstract: This paper investigates a subgradient-based algorithm to solve the system identification problem for linear time-invariant systems with non-smooth objectives. This is essential for robust system identification in safety-critical applications. While existing work provides theoretical exact recovery guarantees using optimization solvers, the design of fast learning algorithms with convergence guarantees for practical use remains unexplored. We analyze the subgradient method in this setting, where the optimization problems to be solved evolve over time as new measurements are collected, and we establish linear convergence to the ground-truth system for both the best and Polyak step sizes after a burn-in period. We further characterize sublinear convergence of the iterates under constant and diminishing step sizes, which require only minimal information and thus offer broad applicability. Finally, we compare the time complexity of standard solvers with the subgradient algorithm and support our findings with experimental results. This is the first work to analyze subgradient algorithms for system identification with non-smooth objectives.
Authors: Nishad Singhi, Hritik Bansal, Arian Hosseini, Aditya Grover, Kai-Wei Chang, Marcus Rohrbach, Anna Rohrbach
Abstract: Scaling test-time compute has emerged as a key strategy for enhancing the reasoning capabilities of large language models (LLMs), particularly in tasks like mathematical problem-solving. A traditional approach, Self-Consistency (SC), generates multiple solutions to a problem and selects the most common answer via majority voting. Another common method involves scoring each solution with a reward model (verifier) and choosing the best one. Recent advancements in Generative Reward Models (GenRM) reframe verification as a next-token prediction task, enabling inference-time scaling along a new axis. Specifically, GenRM generates multiple verification chains-of-thought to score each solution. Under a limited inference budget, this introduces a fundamental trade-off: should you spend the budget on scaling solutions via SC or generate fewer solutions and allocate compute to verification via GenRM? To address this, we evaluate GenRM against SC under a fixed inference budget. Interestingly, we find that SC is more compute-efficient than GenRM for most practical inference budgets across diverse models and datasets. For instance, GenRM first matches SC after consuming up to 8x the inference compute and requires significantly more compute to outperform it. Furthermore, we derive inference scaling laws for the GenRM paradigm, revealing that compute-optimal inference favors scaling solution generation more aggressively than scaling the number of verifications. Our work provides practical guidance on optimizing test-time scaling by balancing solution generation and verification. The code is available at https://github.com/nishadsinghi/sc-genrm-scaling.
Authors: Xinchen Wang, Pengfei Gao, Chao Peng, Ruida Hu, Cuiyun Gao
Abstract: Large language models (LLMs) have demonstrated strong capabilities in code generation, underscoring the critical need for rigorous and comprehensive evaluation. Existing evaluation approaches fall into three categories, including human-centered, metric-based, and LLM-based. Considering that human-centered approaches are labour-intensive and metric-based ones overly rely on reference answers, LLM-based approaches are gaining increasing attention due to their stronger contextual understanding capabilities. However, they generally evaluate the generated code based on static prompts, and tend to fail for complex code scenarios which typically involve multiple requirements and require more contextual information. In addition, these approaches lack fine-grained evaluation for complex code, resulting in limited explainability. To mitigate the limitations, we propose CodeVisionary, the first agent-based evaluation framework for complex code generation. CodeVisionary consists of two stages: (1) Requirement-guided multi-dimensional context distillation stage and (2) Fine-grained scoring and summarization stage. A comprehensive evaluation report is also generated for enhanced explainability. For validation, we construct a new benchmark consisting of 363 samples spanning 37 coding scenarios and 23 programming languages. Extensive experiments demonstrate that CodeVisionary achieves the best performance among three baselines for evaluating complex code generation, outperforming the best baseline with average improvements of 0.217, 0.163, and 0.141 in Pearson, Spearman, and Kendall-Tau coefficients, respectively. The resources of CodeVisionary are available at https://github.com/Eshe0922/CodeVisionary.
Authors: Sumit Mamtani, Yash Thesia
Abstract: Fine-grained visual classification aims to recognize objects belonging to many subordinate categories of a supercategory, where appearance alone often fails to distinguish highly similar classes. We propose a unified framework that integrates image, text, and metadata via cross-contrastive pre-training. We first align the three modality encoders in a shared embedding space and then fine-tune the image and metadata encoders for classification. On NABirds, our approach improves over the baseline by 7.83% and achieves 84.44% top-1 accuracy, outperforming strong multimodal methods.
Authors: Baolei Zhang, Haoran Xin, Minghong Fang, Zhuqing Liu, Biao Yi, Tong Li, Zheli Liu
Abstract: Large language models (LLMs) integrated with retrieval-augmented generation (RAG) systems improve accuracy by leveraging external knowledge sources. However, recent research has revealed RAG's susceptibility to poisoning attacks, where the attacker injects poisoned texts into the knowledge database, leading to attacker-desired responses. Existing defenses, which predominantly focus on inference-time mitigation, have proven insufficient against sophisticated attacks. In this paper, we introduce RAGForensics, the first traceback system for RAG, designed to identify poisoned texts within the knowledge database that are responsible for the attacks. RAGForensics operates iteratively, first retrieving a subset of texts from the database and then utilizing a specially crafted prompt to guide an LLM in detecting potential poisoning texts. Empirical evaluations across multiple datasets demonstrate the effectiveness of RAGForensics against state-of-the-art poisoning attacks. This work pioneers the traceback of poisoned texts in RAG systems, providing a practical and promising defense mechanism to enhance their security. Our code is available at: https://github.com/zhangbl6618/RAG-Responsibility-Attribution
URLs: https://github.com/zhangbl6618/RAG-Responsibility-Attribution
Authors: Anindya Sarkar, Binglin Ji, Yevgeniy Vorobeychik
Abstract: In various scientific and engineering domains, where data acquisition is costly--such as in medical imaging, environmental monitoring, or remote sensing--strategic sampling from unobserved regions, guided by prior observations, is essential to maximize target discovery within a limited sampling budget. In this work, we introduce Diffusion-guided Active Target Discovery (DiffATD), a novel method that leverages diffusion dynamics for active target discovery. DiffATD maintains a belief distribution over each unobserved state in the environment, using this distribution to dynamically balance exploration-exploitation. Exploration reduces uncertainty by sampling regions with the highest expected entropy, while exploitation targets areas with the highest likelihood of discovering the target, indicated by the belief distribution and an incrementally trained reward model designed to learn the characteristics of the target. DiffATD enables efficient target discovery in a partially observable environment within a fixed sampling budget, all without relying on any prior supervised training. Furthermore, DiffATD offers interpretability, unlike existing black--box policies that require extensive supervised training. Through extensive experiments and ablation studies across diverse domains, including medical imaging, species discovery, and remote sensing, we show that DiffATD performs significantly better than baselines and competitively with supervised methods that operate under full environmental observability.
Authors: Benedikt Koch, Kosuke Imai
Abstract: Many researchers have applied classical statistical decision theory to evaluate treatment choices and learn optimal policies. However, because this framework is based solely on realized outcomes under chosen decisions and ignores counterfactual outcomes, it cannot assess the quality of a decision relative to feasible alternatives. For example, in bail decisions, a judge must consider not only crime prevention but also the avoidance of unnecessary burdens on arrestees. To address this limitation, we generalize standard decision theory by incorporating counterfactual losses, allowing decisions to be evaluated using all potential outcomes. The central challenge in this counterfactual statistical decision framework is identification: since only one potential outcome is observed for each unit, the associated counterfactual risk is generally not identifiable. We prove that, under the assumption of strong ignorability, the counterfactual risk is identifiable if and only if the counterfactual loss function is additive in the potential outcomes. Moreover, we demonstrate that additive counterfactual losses can yield treatment recommendations, which differ from those based on standard loss functions when the decision problem involves more than two treatment options. One interpretation of this result is that additive counterfactual losses can capture the accuracy and difficulty of a decision, whereas standard losses account for accuracy alone. Finally, we formulate a symbolic linear inverse program that, given a counterfactual loss, determines whether its risk is identifiable, without requiring data.
Authors: Deliang Wei, Peng Chen, Haobo Xu, Jiale Yao, Fang Li, Tieyong Zeng
Abstract: Plug-and-play (PnP) methods with deep denoisers have shown impressive results in imaging problems. They typically require strong convexity or smoothness of the fidelity term and a (residual) non-expansive denoiser for convergence. These assumptions, however, are violated in Poisson inverse problems, and non-expansiveness can hinder denoising performance. To address these challenges, we propose a cocoercive conservative (CoCo) denoiser, which may be (residual) expansive, leading to improved denoising. By leveraging the generalized Helmholtz decomposition, we introduce a novel training strategy that combines Hamiltonian regularization to promote conservativeness and spectral regularization to ensure cocoerciveness. We prove that CoCo denoiser is a proximal operator of a weakly convex function, enabling a restoration model with an implicit weakly convex prior. The global convergence of PnP methods to a stationary point of this restoration model is established. Extensive experimental results demonstrate that our approach outperforms closely related methods in both visual quality and quantitative metrics.
Authors: Lorenz Vaitl, Leon Klein
Abstract: Boltzmann Generators have emerged as a promising machine learning tool for generating samples from equilibrium distributions of molecular systems using Normalizing Flows and importance weighting. Recently, Flow Matching has helped speed up Continuous Normalizing Flows (CNFs), scale them to more complex molecular systems, and minimize the length of the flow integration trajectories. We investigate the benefits of using path gradients to fine-tune CNFs initially trained by Flow Matching, in the setting where a target energy is known. Our experiments show that this hybrid approach yields up to a threefold increase in sampling efficiency for molecular systems, all while using the same model, a similar computational budget and without the need for additional sampling. Furthermore, by measuring the length of the flow trajectories during fine-tuning, we show that path gradients largely preserve the learned structure of the flow.
Authors: Yu-Ting Lee, Fu-Chieh Chang, Hui-Ying Shih, Pei-Yuan Wu
Abstract: Intrinsic self-correction refers to the phenomenon where a language model refines its own outputs purely through prompting, without external feedback or parameter updates. While this approach improves performance across diverse tasks, its internal mechanism remains poorly understood. We analyze intrinsic self-correction from a representation-level perspective. We formalize and introduce the notion of a prompt-induced shift, which is the change in hidden representations caused by a self-correction prompt. Across 5 open-source LLMs, prompt-induced shifts in text detoxification and text toxification align with latent directions constructed from contrastive pairs. In detoxification, the shifts align with the non-toxic direction; in toxification, they align with the toxic direction. These results suggest that intrinsic self-correction functions as representation steering along interpretable latent directions, beyond what standard metrics such as task scores or model confidence capture. Our analysis offers an interpretability-based account of intrinsic self-correction and contributes to a more systematic understanding of LLM prompting.
Authors: Haoyu Zhao, Yihan Geng, Shange Tang, Yong Lin, Bohan Lyu, Hongzhou Lin, Chi Jin, Sanjeev Arora
Abstract: LLM-based formal proof assistants (e.g., in Lean) hold great promise for automating mathematical discovery. But beyond syntactic correctness, do these systems truly understand mathematical structure as humans do? We investigate this question in context of mathematical inequalities -- specifically the prover's ability to recognize that the given problem simplifies by applying a known inequality such as AM/GM. Specifically, we are interested in their ability to do this in a compositional setting where multiple inequalities must be applied as part of a solution. We introduce Ineq-Comp, a benchmark built from elementary inequalities through systematic transformations, including variable duplication, algebraic rewriting, and multi-step composition. Although these problems remain easy for humans, we find that most provers -- including Goedel, STP, and Kimina-7B -- struggle significantly. DeepSeek-Prover-V2-7B shows relative robustness, but still suffers a 20% performance drop (pass@32). Even for DeepSeek-Prover-V2-671B model, the gap between compositional variants and seed problems exists, implying that simply scaling up the model size alone does not fully solve the compositional weakness. Strikingly, performance remains poor for all models even when formal proofs of the constituent parts are provided in context, revealing that the source of weakness is indeed in compositional reasoning. Our results expose a persisting gap between the generalization behavior of current AI provers and human mathematical intuition. All data and evaluation code can be found at https://github.com/haoyuzhao123/LeanIneqComp.
Authors: Anthony Bardou, Patrick Thiran
Abstract: Time-Varying Bayesian Optimization (TVBO) is the go-to framework for optimizing a time-varying black-box objective function that may be noisy and expensive to evaluate, but its excellent empirical performance remains to be understood theoretically. Is it possible for the instantaneous regret of a TVBO algorithm to vanish asymptotically, and if so, when? We answer this question of great importance by providing upper bounds and algorithm-independent lower bounds for the cumulative regret of TVBO algorithms. In doing so, we provide important insights about the TVBO framework and derive sufficient conditions for a TVBO algorithm to have the no-regret property. To the best of our knowledge, our analysis is the first to cover all major classes of stationary kernel functions used in practice.
Authors: Jinyang Wu, Chonghua Liao, Mingkuan Feng, Shuai Zhang, Zhengqi Wen, Haoran Luo, Ling Yang, Huazhe Xu, Jianhua Tao
Abstract: Reinforcement learning (RL) has emerged as an effective paradigm for enhancing model reasoning. However, existing RL methods like GRPO often rely on unstructured self-sampling to fit scalar rewards, often producing inefficient rollouts that fail to capture transferable problem-solving strategies. To address these limitations, we propose **TemplateRL**, a structured template-guided RL framework that augments policy optimization with explicit template guidance. Our approach first constructs a problem-solving template library via MCTS on a small seed set, then seamlessly integrates this high-level structured guidance into RL training. By guiding rollout generation to align with proven template structures, TemplateRL significantly improves high-quality trajectory hit rates while reducing ineffective exploration. This structure-guided design steers the policy toward validated strategic patterns, stabilizing training dynamics, and enhancing RL sampling efficiency. Notably, the explicit template library is interpretable, editable, and supports online updates-enabling continuous updates during both training and inference. Extensive experiments demonstrate that TemplateRL outperforms GRPO by 99% on AIME and 41% on AMC, with superior stability on weak models and remarkable cross-domain generalization, highlighting its potential for broader tasks.
Authors: Wenjin Qin, Hailin Wang, Hao Shu, Feng Zhang, Jianjun Wang, Xiangyong Cao, Xi-Le Zhao, Gemine Vivone
Abstract: In recent years, tensor decomposition-based approaches for hyperspectral anomaly detection (HAD) have gained significant attention in the field of remote sensing. However, existing methods often fail to fully leverage both the global correlations and local smoothness of the background components in hyperspectral images (HSIs), which exist in both the spectral and spatial domains. This limitation results in suboptimal detection performance. To mitigate this critical issue, we put forward a novel HAD method named HAD-EUNTRFR, which incorporates an enhanced unified nonconvex tensor ring (TR) factors regularization. In the HAD-EUNTRFR framework, the raw HSIs are first decomposed into background and anomaly components. The TR decomposition is then employed to capture the spatial-spectral correlations within the background component. Additionally, we introduce a unified and efficient nonconvex regularizer, induced by tensor singular value decomposition (TSVD), to simultaneously encode the low-rankness and sparsity of the 3-D gradient TR factors into a unique concise form. The above characterization scheme enables the interpretable gradient TR factors to inherit the low-rankness and smoothness of the original background. To further enhance anomaly detection, we design a generalized nonconvex regularization term to exploit the group sparsity of the anomaly component. To solve the resulting doubly nonconvex model, we develop a highly efficient optimization algorithm based on the alternating direction method of multipliers (ADMM) framework. Experimental results on several benchmark datasets demonstrate that our proposed method outperforms existing state-of-the-art (SOTA) approaches in terms of detection accuracy.
Authors: Fahrettin Emin Tiras, Hayriye Serra Altinoluk
Abstract: Radio Frequency (RF) fingerprinting offers a promising approach for drone identification and security, although it suffers from significant performance degradation when operating on different transmission channels. This paper presents CrossRF, a domain-invariant deep learning approach that addresses the problem of cross-channel RF fingerprinting for Unmanned Aerial Vehicle (UAV) identification. Our approach aims to minimize the domain gap between different RF channels by using adversarial learning to train a more robust model that maintains consistent identification performance despite channel variations. We validate our approach using the UAVSig dataset, comprising real-world over-the-air RF signals from identical drone models operating across several frequency channels, ensuring that the findings correspond to real-world scenarios. The experimental results show CrossRF's efficiency, achieving up to 99.03% accuracy when adapting from Channel 3 to Channel 4, compared to only 26.39% using conventional methods. The model maintains robust performance in more difficult multi-channel scenarios (87.57% accuracy adapting from Channels 1,3 to 2,4) and achieves 89.45% accuracy with 0.9 precision for controller classification. These results confirm CrossRF's ability to significantly reduce performance degradation due to cross-channel variations while maintaining high identification accuracy with minimal training data requirements, making it particularly suitable for practical drone security applications.
Authors: Kristoffer Andersson, Alessandro Gnoatto, Camilo Andr\'es Garc\'ia Trillos
Abstract: We present the first deep-learning solver for backward stochastic Volterra integral equations (BSVIEs) and their fully-coupled forward-backward variants. The method trains a neural network to approximate the two solution fields in a single stage, avoiding the use of nested time-stepping cycles that limit classical algorithms. For the decoupled case we prove a non-asymptotic error bound composed of an a posteriori residual plus the familiar square root dependence on the time step. Numerical experiments are consistent with this rate and reveal two key properties: \emph{scalability}, in the sense that accuracy remains stable from low dimension up to 500 spatial variables while GPU batching keeps wall-clock time nearly constant; and \emph{generality}, since the same method handles coupled systems whose forward dynamics depend on the backward solution. These results open practical access to a family of high-dimensional, time-inconsistent problems in stochastic control and quantitative finance.
Authors: Anum Fatima, Gesine Reinert
Abstract: Complex data are often represented as a graph, which in turn can often be viewed as a realisation of a random graph, such as an inhomogeneous random graph model (IRG). For general fast goodness-of-fit tests in high dimensions, kernelised Stein discrepancy (KSD) tests are a powerful tool. Here, we develop a KSD-type test for IRG models that can be carried out with a single observation of the network. The test applies to a network of any size, but is particularly interesting for small networks for which asymptotic tests are not warranted. We also provide theoretical guarantees.
Authors: Peixuan Han, Zijia Liu, Jiaxuan You
Abstract: Large language models (LLMs) have shown promising potential in persuasion, but existing works on training LLM persuaders are still preliminary. Notably, while humans are skilled in modeling their opponent's thoughts and opinions proactively and dynamically, current LLMs struggle with such Theory of Mind (ToM) reasoning, resulting in limited diversity and opponent awareness. To address this limitation, we introduce Theory of Mind Augmented Persuader (ToMAP), a novel approach for building more flexible persuader agents by incorporating two theory of mind modules that enhance the persuader's awareness and analysis of the opponent's mental state. Specifically, we begin by prompting the persuader to consider possible objections to the target central claim, and then use a text encoder paired with a trained MLP classifier to predict the opponent's current stance on these counterclaims. Our carefully designed reinforcement learning schema enables the persuader learns how to analyze opponent-related information and utilize it to generate more effective arguments. Experiments show that the ToMAP persuader, while containing only 3B parameters, outperforms much larger baselines, like GPT-4o, with a relative gain of 39.4% across multiple persuadee models and diverse corpora. Notably, ToMAP exhibits complex reasoning chains and reduced repetition during training, which leads to more diverse and effective arguments. The opponent-aware feature of ToMAP also makes it suitable for long conversations and enables it to employ more logical and opponent-aware strategies. These results underscore our method's effectiveness and highlight its potential for developing more persuasive language agents. Code is available at: https://github.com/ulab-uiuc/ToMAP.
Authors: Yunkee Chae, Kyogu Lee
Abstract: We present MGE-LDM, a unified latent diffusion framework for simultaneous music generation, source imputation, and query-driven source separation. Unlike prior approaches constrained to fixed instrument classes, MGE-LDM learns a joint distribution over full mixtures, submixtures, and individual stems within a single compact latent diffusion model. At inference, MGE-LDM enables (1) complete mixture generation, (2) partial generation (i.e., source imputation), and (3) text-conditioned extraction of arbitrary sources. By formulating both separation and imputation as conditional inpainting tasks in the latent space, our approach supports flexible, class-agnostic manipulation of arbitrary instrument sources. Notably, MGE-LDM can be trained jointly across heterogeneous multi-track datasets (e.g., Slakh2100, MUSDB18, MoisesDB) without relying on predefined instrument categories. Audio samples are available at our project page: https://yoongi43.github.io/MGELDM_Samples/.
Authors: Jonathan Richens, David Abel, Alexis Bellot, Tom Everitt
Abstract: Are world models a necessary ingredient for flexible, goal-directed behaviour, or is model-free learning sufficient? We provide a formal answer to this question, showing that any agent capable of generalizing to multi-step goal-directed tasks must have learned a predictive model of its environment. We show that this model can be extracted from the agent's policy, and that increasing the agents performance or the complexity of the goals it can achieve requires learning increasingly accurate world models. This has a number of consequences: from developing safe and general agents, to bounding agent capabilities in complex environments, and providing new algorithms for eliciting world models from agents.
Authors: Baode Wang, Biao Wu, Weizhen Li, Meng Fang, Zuming Huang, Jun Huang, Haozhe Wang, Yanjie Liang, Ling Chen, Wei Chu, Yuan Qi
Abstract: Automated parsing of scanned documents into richly structured, machine-readable formats remains a critical bottleneck in Document AI, as traditional multi-stage pipelines suffer from error propagation and limited adaptability to diverse layouts. We introduce layoutRL, an end-to-end reinforcement learning framework that trains models to be explicitly layout-aware by optimizing a composite reward of normalized edit distance, paragraph count accuracy, and reading order preservation. Leveraging our newly released dataset, Infinity-Doc-55K, which combines 55K high-fidelity synthetic scanned document parsing data with expert-filtered real-world documents, we instantiate layoutRL in a vision-language-model-based parser called Infinity-Parser. Evaluated on English and Chinese benchmarks for OCR, table and formula extraction, and reading order detection, Infinity-Parser achieves new state-of-the-art performance in both accuracy and structural fidelity, outpacing specialist pipelines and general-purpose vision-language models. We will publicly release our code and dataset to accelerate progress in robust document understanding.
Authors: Kevin H. Lam, Thang D. Bui, George Deligiannidis, Yee Whye Teh
Abstract: Latent Gaussian variables have been popularised in probabilistic machine learning. In turn, gradient estimators are the machinery that facilitates gradient-based optimisation for models with latent Gaussian variables. The reparameterisation trick is often used as the default estimator as it is simple to implement and yields low-variance gradients for variational inference. In this work, we propose the R2-G2 estimator as the Rao-Blackwellisation of the reparameterisation gradient estimator. Interestingly, we show that the local reparameterisation gradient estimator for Bayesian MLPs is an instance of the R2-G2 estimator and Rao-Blackwellisation. This lets us extend benefits of Rao-Blackwellised gradients to a suite of probabilistic models. We show that initial training with R2-G2 consistently yields better performance in models with multiple applications of the reparameterisation trick.
Authors: Emmanuel J. Cand\`es, Andrew Ilyas, Tijana Zrnic
Abstract: Obtaining high-quality labeled datasets is often costly, requiring either human annotation or expensive experiments. In theory, powerful pre-trained AI models provide an opportunity to automatically label datasets and save costs. Unfortunately, these models come with no guarantees on their accuracy, making wholesale replacement of manual labeling impractical. In this work, we propose a method for leveraging pre-trained AI models to curate cost-effective and high-quality datasets. In particular, our approach results in probably approximately correct labels: with high probability, the overall labeling error is small. Our method is nonasymptotically valid under minimal assumptions on the dataset or the AI model being studied, and thus enables rigorous yet efficient dataset curation using modern AI models. We demonstrate the benefits of the methodology through text annotation with large language models, image labeling with pre-trained vision models, and protein folding analysis with AlphaFold.
Authors: Qirui Zheng, Xingbo Wang, Keyuan Cheng, Muhammad Asif Ali, Yunlong Lu, Wenxin Li
Abstract: The advent of artificial intelligence has propelled AI-Generated Game Commentary (AI-GGC) into a rapidly expanding field, offering benefits such as unlimited availability and personalized narration. However, current researches in this area remain fragmented, and a comprehensive survey that systematically unifies existing efforts is still missing. To bridge this gap, our survey introduces a unified framework that systematically organizes the AI-GGC landscape. We present a novel taxonomy focused on three core commentator capabilities: Live Observation, Strategic Analysis, and Historical Recall. Commentary is further categorized into three functional types: Descriptive, Analytical, and Background. Building on this structure, we provide an in-depth review of state-of-the-art methods, datasets, and evaluation metrics across various game genres. Finally, we highlight key challenges such as real-time reasoning, multimodal integration, and evaluation bottlenecks, and outline promising directions for future research and system development in AI-GGC.
Authors: Sungee Hong, Jiayi Wang, Zhengling Qi, Raymond K. W. Wong
Abstract: In reinforcement learning, distributional off-policy evaluation (OPE) focuses on estimating the return distribution of a target policy using offline data collected under a different policy. This work focuses on extending the widely used fitted Q-evaluation -- developed for expectation-based reinforcement learning -- to the distributional OPE setting. We refer to this extension as fitted distributional evaluation (FDE). While only a few related approaches exist, there remains no unified framework for designing FDE methods. To fill this gap, we present a set of guiding principles for constructing theoretically grounded FDE methods. Building on these principles, we develop several new FDE methods with convergence analysis and provide theoretical justification for existing methods, even in non-tabular environments. Extensive experiments, including simulations on linear quadratic regulators and Atari games, demonstrate the superior performance of the FDE methods.
Authors: Chi-Sheng Chen, Xinyu Zhang, Ya-Chuan Chen
Abstract: We propose a hybrid quantum-classical reinforcement learning framework for sector rotation in the Taiwan stock market. Our system employs Proximal Policy Optimization (PPO) as the backbone algorithm and integrates both classical architectures (LSTM, Transformer) and quantum-enhanced models (QNN, QRWKV, QASA) as policy and value networks. An automated feature engineering pipeline extracts financial indicators from capital share data to ensure consistent model input across all configurations. Empirical backtesting reveals a key finding: although quantum-enhanced models consistently achieve higher training rewards, they underperform classical models in real-world investment metrics such as cumulative return and Sharpe ratio. This discrepancy highlights a core challenge in applying reinforcement learning to financial domains -- namely, the mismatch between proxy reward signals and true investment objectives. Our analysis suggests that current reward designs may incentivize overfitting to short-term volatility rather than optimizing risk-adjusted returns. This issue is compounded by the inherent expressiveness and optimization instability of quantum circuits under Noisy Intermediate-Scale Quantum (NISQ) constraints. We discuss the implications of this reward-performance gap and propose directions for future improvement, including reward shaping, model regularization, and validation-based early stopping. Our work offers a reproducible benchmark and critical insights into the practical challenges of deploying quantum reinforcement learning in real-world finance.
Authors: Benjamin Sterling, Chad Gueli, M\'onica F. Bugallo
Abstract: Denoising diffusion probabilistic models (DDPMs) represent an entirely new class of generative AI methods that have yet to be fully explored. They use Langevin dynamics, represented as stochastic differential equations, to describe a process that transforms data into noise, the forward process, and a process that transforms noise into generated data, the reverse process. Many of these methods utilize auxiliary variables that formulate the data as a ``position" variable, and the auxiliary variables are referred to as ``velocity", ``acceleration", etc. In this sense, it is possible to ``critically damp" the dynamics. Critical damping has been successfully introduced in Critically-Damped Langevin Dynamics (CLD) and Critically-Damped Third-Order Langevin Dynamics (TOLD++), but has not yet been applied to dynamics of arbitrary order. The proposed methodology generalizes Higher-Order Langevin Dynamics (HOLD), a recent state-of-the-art diffusion method, by introducing the concept of critical damping from systems analysis. Similarly to TOLD++, this work proposes an optimal set of hyperparameters in the $n$-dimensional case, where HOLD leaves these to be user defined. Additionally, this work provides closed-form solutions for the mean and covariance of the forward process that greatly simplify its implementation. Experiments are performed on the CIFAR-10 and CelebA-HQ $256 \times 256$ datasets, and validated against the FID metric.
Authors: Amir Aghdam, Vincent Tao Hu, Bj\"orn Ommer
Abstract: We address the task of zero-shot video classification for extremely fine-grained actions (e.g., Windmill Dunk in basketball), where no video examples or temporal annotations are available for unseen classes. While image-language models (e.g., CLIP, SigLIP) show strong open-set recognition, they lack temporal modeling needed for video understanding. We propose ActAlign, a truly zero-shot, training-free method that formulates video classification as a sequence alignment problem, preserving the generalization strength of pretrained image-language models. For each class, a large language model (LLM) generates an ordered sequence of sub-actions, which we align with video frames using Dynamic Time Warping (DTW) in a shared embedding space. Without any video-text supervision or fine-tuning, ActAlign achieves 30.5% accuracy on ActionAtlas--the most diverse benchmark of fine-grained actions across multiple sports--where human performance is only 61.6%. ActAlign outperforms billion-parameter video-language models while using 8x fewer parameters. Our approach is model-agnostic and domain-general, demonstrating that structured language priors combined with classical alignment methods can unlock the open-set recognition potential of image-language models for fine-grained video understanding.
Authors: Huai-Chih Wang, Hsiang-Chun Chuang, Hsi-Chun Cheng, Dai-Jie Wu, Shao-Hua Sun
Abstract: Effective coordination among artificial agents in dynamic and uncertain environments remains a significant challenge in multi-agent systems. Existing approaches, such as self-play and population-based methods, either generalize poorly to unseen partners or require impractically extensive fine-tuning. To overcome these limitations, we propose Coordination Transformers (\coot), a novel in-context coordination framework that uses recent interaction histories to rapidly adapt to unseen partners. Unlike prior approaches that primarily aim to diversify training partners, \coot explicitly focuses on adapting to new partner behaviors by predicting actions aligned with observed interactions. Trained on trajectories collected from diverse pairs of agents with complementary preferences, \coot quickly learns effective coordination strategies without explicit supervision or parameter updates. Across diverse coordination tasks in Overcooked, \coot consistently outperforms baselines including population-based approaches, gradient-based fine-tuning, and a Meta-RL-inspired contextual adaptation method. Notably, fine-tuning proves unstable and ineffective, while Meta-RL struggles to achieve reliable coordination. By contrast, \coot achieves stable, rapid in-context adaptation and is consistently ranked the most effective collaborator in human evaluations.
Authors: Christian Intern\`o, Robert Geirhos, Markus Olhofer, Sunny Liu, Barbara Hammer, David Klindt
Abstract: The rapid advancement of generative AI enables highly realistic synthetic videos, posing significant challenges for content authentication and raising urgent concerns about misuse. Existing detection methods often struggle with generalization and capturing subtle temporal inconsistencies. We propose ReStraV(Representation Straightening Video), a novel approach to distinguish natural from AI-generated videos. Inspired by the "perceptual straightening" hypothesis -- which suggests real-world video trajectories become more straight in neural representation domain -- we analyze deviations from this expected geometric property. Using a pre-trained self-supervised vision transformer (DINOv2), we quantify the temporal curvature and stepwise distance in the model's representation domain. We aggregate statistics of these measures for each video and train a classifier. Our analysis shows that AI-generated videos exhibit significantly different curvature and distance patterns compared to real videos. A lightweight classifier achieves state-of-the-art detection performance (e.g., 97.17% accuracy and 98.63% AUROC on the VidProM benchmark), substantially outperforming existing image- and video-based methods. ReStraV is computationally efficient, it is offering a low-cost and effective detection solution. This work provides new insights into using neural representation geometry for AI-generated video detection.
Authors: Rushil Thareja, Preslav Nakov, Praneeth Vepakomma, Nils Lukas
Abstract: Large language models (LLMs) do not preserve privacy at inference-time. The LLM's outputs can inadvertently reveal information about the model's context, which presents a privacy challenge when the LLM is augmented via tools or databases containing sensitive information. Existing privacy-preserving methods at inference-time have significant limitations since they (i) lack provable guarantees or (ii) have a poor utility/privacy trade-off. We propose DP-Fusion, a Differentially Private Inference (DPI) mechanism for LLMs that provably bounds the influence a set of tokens in the context can have on the LLM's output. DP-Fusion works as follows: (1) label a subset of sensitive tokens, (2) infer the LLM without any sensitive tokens to obtain a baseline, (3) infer the LLM with the sensitive tokens, and (4) blend distributions so that the final output remains within a bounded distance of the baseline distribution. While this per-token influence bound also mitigates jailbreak-style prompt injection, we focus on \emph{document privatization}, where the goal is to paraphrase a document containing sensitive tokens, e.g., personally identifiable information, so that no attacker can reliably infer them from the paraphrased document while preserving high text quality. The privacy/utility trade-off is controlled by $\epsilon$, where $\epsilon=0$ hides sensitive tokens entirely, while higher values trade off privacy for improved text quality. We show that our method creates token-level provably privatized documents with substantially improved theoretical and empirical privacy, achieving $6\times$ lower perplexity than related DPI methods.
Authors: Gabriel P. Langlois, J\'er\^ome Darbon
Abstract: We prove in this work that the well-known lasso problem can be solved exactly without homotopy using novel differential inclusions techniques. Specifically, we show that a selection principle from the theory of differential inclusions transforms the dual lasso problem into the problem of calculating the trajectory of a projected dynamical system that we prove is integrable. Our analysis yields an exact algorithm for the lasso problem, numerically up to machine precision, that is amenable to computing regularization paths and is very fast. Moreover, we show the continuation of solutions to the integrable projected dynamical system in terms of the hyperparameter naturally yields a rigorous homotopy algorithm. Numerical experiments confirm that our algorithm outperforms the state-of-the-art algorithms in both efficiency and accuracy. Beyond this work, we expect our results and analysis can be adapted to compute exact or approximate solutions to a broader class of polyhedral-constrained optimization problems.
Authors: Mingda Zhang
Abstract: Accurate brain tumor segmentation is crucial for neuro-oncology diagnosis and treatment planning. Deep learning methods have made significant progress, but automatic segmentation still faces challenges, including tumor morphological heterogeneity and complex three-dimensional spatial relationships. This paper proposes a three-tier fusion architecture that achieves precise brain tumor segmentation. The method processes information progressively at the pixel, feature, and semantic levels. At the pixel level, physical modeling extends magnetic resonance imaging (MRI) to multimodal data, including simulated ultrasound and synthetic computed tomography (CT). At the feature level, the method performs Transformer-based cross-modal feature fusion through multi-teacher collaborative distillation, integrating three expert teachers (MRI, US, CT). At the semantic level, clinical textual knowledge generated by GPT-4V is transformed into spatial guidance signals using CLIP contrastive learning and Feature-wise Linear Modulation (FiLM). These three tiers together form a complete processing chain from data augmentation to feature extraction to semantic guidance. We validated the method on the Brain Tumor Segmentation (BraTS) 2020, 2021, and 2023 datasets. The model achieves average Dice coefficients of 0.8665, 0.9014, and 0.8912 on the three datasets, respectively, and reduces the 95% Hausdorff Distance (HD95) by an average of 6.57 millimeters compared with the baseline. This method provides a new paradigm for precise tumor segmentation and boundary localization.
Authors: Yihong Dong, Xue Jiang, Yongding Tao, Huanyu Liu, Kechi Zhang, Lili Mou, Rongyu Cao, Yingwei Ma, Jue Chen, Binhua Li, Zhi Jin, Fei Huang, Yongbin Li, Ge Li
Abstract: Reinforcement Learning with Verifiable Reward (RLVR) has significantly advanced the complex reasoning abilities of Large Language Models (LLMs). However, it struggles to break through the inherent capability boundaries of the base LLM, due to its essentially on-policy strategy coupled with LLM's immense action space and sparse reward. Critically, RLVR can lead to the capability boundary collapse, narrowing the LLM's problem-solving scope. To address this problem, we propose RL-PLUS, a novel hybrid-policy optimization approach for LLMs that synergizes internal exploitation with external data to achieve stronger reasoning capabilities and surpass the boundaries of base models. RL-PLUS integrates two core components, i.e., Multiple Importance Sampling to address distributional mismatch from external data, and Exploration-Based Advantage Function to guide the model towards high-value, unexplored reasoning paths. We provide both theoretical analysis and extensive experiments to demonstrate the superiority and generalizability of our approach. Compared with existing RLVR methods, RL-PLUS achieves 1) state-of-the-art performance on six math reasoning benchmarks; 2) superior performance on six out-of-distribution reasoning tasks; 3) consistent and significant gains across diverse model families, with average relative improvements up to 69.2\%. Moreover, the analysis of Pass@k curves indicates that RL-PLUS effectively resolves the capability boundary collapse problem.
Authors: Minghao Guo, Xi Zhu, Haochen Xue, Chong Zhang, Shuhang Lin, Jingyuan Huang, Ziyi Ye, Yongfeng Zhang
Abstract: Graph Neural Networks (GNNs) have achieved remarkable success in graph-based learning by propagating information among neighbor nodes via predefined aggregation mechanisms. However, such fixed schemes often suffer from two key limitations. First, they cannot handle the imbalance in node informativeness -- some nodes are rich in information, while others remain sparse. Second, predefined message passing primarily leverages local structural similarity while ignoring global semantic relationships across the graph, limiting the model's ability to capture distant but relevant information. We propose Retrieval-augmented Graph Agentic Network (ReaGAN), an agent-based framework that empowers each node with autonomous, node-level decision-making. Each node acts as an agent that independently plans its next action based on its internal memory, enabling node-level planning and adaptive message propagation. Additionally, retrieval-augmented generation (RAG) allows nodes to access semantically relevant content and build global relationships in the graph. ReaGAN achieves competitive performance under few-shot in-context settings using a frozen LLM backbone without fine-tuning, showcasing the potential of agentic planning and local-global retrieval in graph learning.
Authors: Xi Huang, Hongyi Zhou, Ge Li, Yucheng Tang, Weiran Liao, Bj\"orn Hein, Tamim Asfour, Rudolf Lioutikov
Abstract: We propose MoRe-ERL, a framework that combines Episodic Reinforcement Learning (ERL) and residual learning, which refines preplanned reference trajectories into safe, feasible, and efficient task-specific trajectories. This framework is general enough to incorporate into arbitrary ERL methods and motion generators seamlessly. MoRe-ERL identifies trajectory segments requiring modification while preserving critical task-related maneuvers. Then it generates smooth residual adjustments using B-Spline-based movement primitives to ensure adaptability to dynamic task contexts and smoothness in trajectory refinement. Experimental results demonstrate that residual learning significantly outperforms training from scratch using ERL methods, achieving superior sample efficiency and task performance. Hardware evaluations further validate the framework, showing that policies trained in simulation can be directly deployed in real-world systems, exhibiting a minimal sim-to-real gap.
Authors: Raviraj Joshi, Rakesh Paul, Kanishk Singla, Anusha Kamath, Michael Evans, Katherine Luna, Shaona Ghosh, Utkarsh Vaidya, Eileen Long, Sanjay Singh Chauhan, Niranjan Wartikar
Abstract: The increasing use of Large Language Models (LLMs) in agentic applications highlights the need for robust safety guard models. While content safety in English is well-studied, non-English languages lack similar advancements due to the high cost of collecting culturally aligned labeled datasets. We present CultureGuard, a novel solution for curating culturally aligned, high-quality safety datasets across multiple languages. Our approach introduces a four-stage synthetic data generation and filtering pipeline: cultural data segregation, cultural data adaptation, machine translation, and quality filtering. This pipeline enables the conversion and expansion of the Nemotron-Content-Safety-Dataset-V2 English safety dataset into eight distinct languages: Arabic, German, Spanish, French, Hindi, Japanese, Thai, and Chinese. The resulting dataset, Nemotron-Safety-Guard-Dataset-v3, comprises 386,661 samples in 9 languages and facilitates the training of Llama-3.1-Nemotron-Safety-Guard-8B-v3 via LoRA-based fine-tuning. The final model achieves state-of-the-art performance on several multilingual content safety benchmarks. Furthermore, we show our moderately multilingual fine-tuning enables robust cross-lingual transfer and strong zero-shot generalization to unseen languages. We also benchmark the latest open LLMs on multilingual safety and observe that these LLMs are more prone to give unsafe responses when prompted in non-English languages. This work advances multilingual LLM safety by enabling the development of culturally aware safety guard models.
Authors: Avishkar Behera, Riya Ann Easow, Venkatesh Parvathala, K. Sri Rama Murty
Abstract: This paper introduces a novel application of Test-Time Training (TTT) for Speech Enhancement, addressing the challenges posed by unpredictable noise conditions and domain shifts. This method combines a main speech enhancement task with a self-supervised auxiliary task in a Y-shaped architecture. The model dynamically adapts to new domains during inference time by optimizing the proposed self-supervised tasks like noise-augmented signal reconstruction or masked spectrogram prediction, bypassing the need for labeled data. We further introduce various TTT strategies offering a trade-off between adaptation and efficiency. Evaluations across synthetic and real-world datasets show consistent improvements across speech quality metrics, outperforming the baseline model. This work highlights the effectiveness of TTT in speech enhancement, providing insights for future research in adaptive and robust speech processing.
Authors: Jingze Shi, Yifan Wu, Yiran Peng, Bingheng Wu, Liangdong Wang, Guang Liu, Yuyu Luo
Abstract: The increasing demand for long-context modeling in large language models (LLMs) is bottlenecked by the quadratic complexity of the standard self-attention mechanism. The community has proposed sparse attention to mitigate this issue. However, position-aware sparse attention methods rely on static sparse structures that lack adaptability to diverse query contexts, while content-aware sparse attention methods depend on heuristic key-value selection, hindering full differentiability. We introduce a trainable dynamic mask sparse attention mechanism, a method that merges the advantages of both position-aware and content-aware approaches. Dynamic Mask Attention (DMA) achieves this through three key innovations: First, it leverages value vector representations to generate content-aware dynamic masks, enabling the model to adaptively identify and attend to critical information. Second, it computes position-aware sparse weights in a hardware-friendly manner, efficiently skipping unnecessary computational regions. Finally, we demonstrate that the introduced dynamic mask and sparse weights do not obstruct gradients, supporting end-to-end training. We have validated the performance of DMA through comprehensive experiments. A large body of experimental evidence shows that DMA consistently holds a Pareto advantage over state-of-the-art sparse attention baselines in tasks including scaling laws, multi-query associative recall, standard benchmarks, and needle in a haystack tests, while also delivering up to a 10x overall speedup. These results highlight its ability to effectively balance model efficiency with long-context modeling capabilities. Our computational kernel code is now open-source at https://github.com/SmallDoges/flash-dmattn to encourage further research and application by the community.
Authors: Ziang Chen, Liqiang Huang
Abstract: We study the approximation complexity of high-dimensional second-order elliptic PDEs with homogeneous boundary conditions on the unit hypercube, within the framework of Barron spaces. Under the assumption that the coefficients belong to suitably defined Barron spaces, we prove that the solution can be efficiently approximated by two-layer neural networks, circumventing the curse of dimensionality. Our results demonstrate the expressive power of shallow networks in capturing high-dimensional PDE solutions under appropriate structural assumptions.
Authors: Alexandre Brown, Glen Berseth
Abstract: Visual reinforcement learning (RL) is challenging due to the need to extract useful representations from high-dimensional inputs while learning effective control from sparse and noisy rewards. Although large perception models exist, integrating them effectively into RL for visual generalization and improved sample efficiency remains difficult. We propose SegDAC, a Segmentation-Driven Actor-Critic method. SegDAC uses Segment Anything (SAM) for object-centric decomposition and YOLO-World to ground the image segmentation process via text inputs. It includes a novel transformer-based architecture that supports a dynamic number of segments at each time step and effectively learns which segments to focus on using online RL, without using human labels. By evaluating SegDAC over a challenging visual generalization benchmark using Maniskill3, which covers diverse manipulation tasks under strong visual perturbations, we demonstrate that SegDAC achieves significantly better visual generalization, doubling prior performance on the hardest setting and matching or surpassing prior methods in sample efficiency across all evaluated tasks.
Authors: Seonglae Cho, Zekun Wu, Adriano Koshiyama
Abstract: Sparse Autoencoders (SAEs) can extract interpretable features from large language models (LLMs) without supervision. However, their effectiveness in downstream steering tasks is limited by the requirement for contrastive datasets or large activation storage. To address these limitations, we propose CorrSteer, which selects features by correlating sample correctness with SAE activations from generated tokens at inference time. This approach uses only inference-time activations to extract more relevant features, thereby reducing spurious correlations. It also obtains steering coefficients from average activations, automating the entire pipeline. Our method shows improved task performance on QA, bias mitigation, jailbreaking prevention, and reasoning benchmarks on Gemma-2 2B and LLaMA-3.1 8B, notably achieving a +3.3% improvement in MMLU performance with 4000 samples and a +27.2% improvement in HarmBench with only 108 samples. Selected features demonstrate semantically meaningful patterns aligned with each task's requirements, revealing the underlying capabilities that drive performance. Our work establishes correlation-based selection as an effective and scalable approach for automated SAE steering across language model applications.
Authors: Gaurav Bhatt, Kiran Koshy Thekumparampil, Tanmay Gangwani, Tesi Xiao, Leonid Sigal
Abstract: Traditional ranking systems optimize offline proxy objectives that rely on oversimplified assumptions about user behavior, often neglecting factors such as position bias and item diversity. Consequently, these models fail to improve true counterfactual utilities such as such as click-through rate or purchase probability, when evaluated in online A/B tests. We introduce RewardRank, a data-driven learning-to-rank (LTR) framework for counterfactual utility maximization. RewardRank first learns a reward model that predicts the utility of any ranking directly from logged user interactions, and then trains a ranker to maximize this reward using a differentiable soft permutation operator. To enable rigorous and reproducible evaluation, we further propose two benchmark suites: (i) Parametric Oracle Evaluation (PO-Eval), which employs an open-source click model as a counterfactual oracle on the Baidu-ULTR dataset, and (ii) LLM-as-User Evaluation (LAU-Eval), which simulates realistic user behavior via large language models on the Amazon-KDD-Cup dataset. RewardRank achieves the highest counterfactual utility across both benchmarks and demonstrates that optimizing classical metrics such as NDCG is sub-optimal for maximizing true user utility. Finally, using real user feedback from the Baidu-ULTR dataset, RewardRank establishes a new state of the art in offline relevance performance. Overall, our results show that learning-to-rank can be reformulated as direct optimization of counterfactual utility, achieved in a purely data-driven manner without relying on explicit modeling assumptions such as position bias. Our code is available at: $https://github.com/GauravBh1010tt/RewardRank$
Authors: Mona Mirzaie, Bodo Rosenhahn
Abstract: Trustworthy AI is mandatory for the broad deployment of autonomous vehicles. Although end-to-end approaches derive control commands directly from raw data, interpreting these decisions remains challenging, especially in complex urban scenarios. This is mainly attributed to very deep neural networks with non-linear decision boundaries, making it challenging to grasp the logic behind AI-driven decisions. This paper presents a method to enhance interpretability while optimizing control commands in autonomous driving. To address this, we propose loss functions that promote the interpretability of our model by generating sparse and localized feature maps. The feature activations allow us to explain which image regions contribute to the predicted control command. We conduct comprehensive ablation studies on the feature extraction step and validate our method on the CARLA benchmarks. We also demonstrate that our approach improves interpretability, which correlates with reducing infractions, yielding a safer, high-performance driving model. Notably, our monocular, non-ensemble model surpasses the top-performing approaches from the CARLA Leaderboard by achieving lower infraction scores and the highest route completion rate, all while ensuring interpretability.
Authors: Oph\'elia Miralles, Daniele Nerini, Jonas Bhend, Baudouin Raoult, Christoph Spirig
Abstract: Recent advances in neural weather forecasting have shown significant potential for accurate short-term forecasts. However, adapting such gridded approaches to smaller, topographically complex regions like Switzerland introduces computational challenges, especially when aiming for high spatial (1km) and temporal (10 min) resolution. This paper presents a Graph Neural Network (GNN)-based approach for high-resolution nowcasting in Switzerland using the Anemoi framework and observational inputs. The proposed architecture combines surface observations with selected past and future numerical weather prediction (NWP) states, enabling an observation-guided interpolation strategy that enhances short-term accuracy while preserving physical consistency. We evaluate two models, one trained using local nowcasting analyses and one trained without, on multiple surface variables and compare it against operational high-resolution NWP (ICON-CH1) and nowcasting (INCA) baselines. Results over the test period show that both GNNs consistently outperform ICON-CH1 when verified against INCA analyses across most variables and lead times. Relative to the INCA forecast system, scores against INCA analyses show AI gains beyond 2h (with early-lead disadvantages attributable to INCA's warm start from the analysis), while verification against held-out stations shows no systematic degradation at short lead-times for AI models and frequent outperformance across surface variables. A comprehensive verification procedure, including spatial skill scores for precipitation, pairwise significance testing and event-based evaluation, demonstrates the operational relevance of the approach for mountainous domains. These results indicate that high-resolution, observation-guided GNNs can match or exceed the skill of established forecasting systems for short lead times, including when they are trained without nowcasting analyses.
Authors: Andrew McCormack
Abstract: In this article the notion of the nondecreasing (ND) rank of a matrix or tensor is introduced. A tensor has an ND rank of r if it can be represented as a sum of r outer products of vectors, with each vector satisfying a monotonicity constraint. It is shown that for certain poset orderings finding an ND factorization of rank $r$ is equivalent to finding a nonnegative rank-r factorization of a transformed tensor. However, not every tensor that is monotonic has a finite ND rank. Theory is developed describing the properties of the ND rank, including typical, maximum, and border ND ranks. Highlighted also are the special settings where a matrix or tensor has an ND rank of one or two. As a means of finding low ND rank approximations to a data tensor we introduce a variant of the hierarchical alternating least squares algorithm. Low ND rank factorizations are found and interpreted for two datasets concerning the weight of pigs and a mental health survey during the COVID-19 pandemic.
Authors: Antonin Sulc, Thorsten Hellert
Abstract: The development of intelligent agents, particularly those powered by language models (LMs), has shown a critical role in various environments that require intelligent and autonomous decision-making. Environments are not passive testing grounds, and they represent the data required for agents to learn and exhibit in very challenging conditions that require adaptive, complex, and autonomous capacity to make decisions. While the paradigm of scaling models and datasets has led to remarkable emergent capabilities, we argue that scaling the structure, fidelity, and logical consistency of agent reasoning within these environments is a crucial, yet underexplored, dimension of AI research. This paper introduces a neuro-symbolic multi-agent architecture where the belief states of individual agents are formally represented as Kripke models. This foundational choice enables them to reason about known concepts of \emph{possibility} and \emph{necessity} using the formal language of modal logic. In this work, we use immutable, domain-specific knowledge to make an informed root cause diagnosis, which is encoded as logical constraints essential for proper, reliable, and explainable diagnosis. In the proposed model, we show constraints that actively guide the hypothesis generation of LMs, effectively preventing them from reaching physically or logically untenable conclusions. In a high-fidelity simulated particle accelerator environment, our system successfully diagnoses complex, cascading failures by combining the powerful semantic intuition of LMs with the rigorous, verifiable validation of modal logic and a factual world model and showcasing a viable path toward more robust, reliable, and verifiable autonomous agents.
Authors: Baolei Zhang, Haoran Xin, Yuxi Chen, Zhuqing Liu, Biao Yi, Tong Li, Lihai Nie, Zheli Liu, Minghong Fang
Abstract: Retrieval-Augmented Generation (RAG) integrates external knowledge into large language models to improve response quality. However, recent work has shown that RAG systems are highly vulnerable to poisoning attacks, where malicious texts are inserted into the knowledge database to influence model outputs. While several defenses have been proposed, they are often circumvented by more adaptive or sophisticated attacks. This paper presents RAGOrigin, a black-box responsibility attribution framework designed to identify which texts in the knowledge database are responsible for misleading or incorrect generations. Our method constructs a focused attribution scope tailored to each misgeneration event and assigns a responsibility score to each candidate text by evaluating its retrieval ranking, semantic relevance, and influence on the generated response. The system then isolates poisoned texts using an unsupervised clustering method. We evaluate RAGOrigin across seven datasets and fifteen poisoning attacks, including newly developed adaptive poisoning strategies and multi-attacker scenarios. Our approach outperforms existing baselines in identifying poisoned content and remains robust under dynamic and noisy conditions. These results suggest that RAGOrigin provides a practical and effective solution for tracing the origins of corrupted knowledge in RAG systems. Our code is available at: https://github.com/zhangbl6618/RAG-Responsibility-Attribution
URLs: https://github.com/zhangbl6618/RAG-Responsibility-Attribution
Authors: Rieko Tasaka, Tatsuya Kimura, Joe Suzuki
Abstract: This study addresses the unresolved problem of selecting the regularization parameter in the fused lasso. In particular, we extend the framework of the Spacing Test proposed by Tibshirani et al. to the fused lasso, providing a theoretical foundation for post-selection inference by characterizing the selection event as a polyhedral constraint. Based on the analysis of the solution path of the fused lasso using a LARS-type algorithm, we derive exact conditional $p$-values for the selected change-points. Our method broadens the applicability of the Spacing Test from the standard lasso to fused penalty structures. Furthermore, through numerical experiments comparing the proposed method with sequential versions of AIC and BIC as well as cross-validation, we demonstrate that the proposed approach properly controls the type I error while achieving high detection power. This work offers a theoretically sound and computationally practical solution for parameter selection and post-selection inference in structured signal estimation problems. Keywords: Fused Lasso, Regularization parameter selection, Spacing Test for Lasso, Selective inference, Change-point detection
Authors: Hyunho Cha, Daniel K. Park, Jungwoo Lee
Abstract: Quantum data re-uploading has proved powerful for classical inputs, where repeatedly encoding features into a small circuit yields universal function approximation. Extending this idea to quantum inputs remains underexplored, as the information contained in a quantum state is not directly accessible in classical form. We propose and analyze a quantum data re-uploading architecture in which a qubit interacts sequentially with fresh copies of an arbitrary input state. The circuit can approximate any bounded continuous function using only one ancilla qubit and single-qubit measurements. By alternating entangling unitaries with mid-circuit resets of the input register, the architecture realizes a discrete cascade of completely positive and trace-preserving maps, analogous to collision models in open quantum system dynamics. Our framework provides a qubit-efficient and expressive approach to designing quantum machine learning models that operate directly on quantum data.
Authors: Maurice Wenig, Paul G. Rump, Mark Blacher, Joachim Giesen
Abstract: In 2011, einsum was introduced to NumPy as a practical and convenient notation for tensor expressions in machine learning, quantum circuit simulation, and other fields. It has since been implemented in additional Python frameworks such as PyTorch and TensorFlow, as well as in other programming languages such as Julia. Despite its practical success, the einsum notation still lacks a solid theoretical basis, and is not unified across the different frameworks, limiting opportunities for formal reasoning and systematic optimization. In this work, we discuss the terminology of tensor expressions and provide a formal definition of the einsum language. Based on this definition, we formalize and prove important equivalence rules for tensor expressions and highlight their relevance in practical applications.
Authors: Rohan Kadekodi, Zhan Jin, Keisuke Kamahori, Yile Gu, Sean Khatiri, Noah H. Bayindirli, Sergey Gorbunov, Baris Kasikci
Abstract: The deployment of Large Language Models (LLMs) as agentic orchestrators has revolutionized task automation, but the need for privacy-preserving, cost-effective solutions demands on-device inference capabilities. However, local LLMs consistently underperform compared to frontier models in tool calling scenarios, struggling with both tool selection from large tool sets and accurate argument generation for complex parameter structures. We introduce a methodology that disaggregates a tool-calling task into two distinct subtasks: tool selection and argument generation. We propose "decoupled fine-tuning", a novel post-training approach that employs LoRA fine-tuning to create dedicated LoRA adapters for tool selection and tool-specific argument generation using separate loss masking for each of the subtasks. Furthermore, we present DualTune, an inference framework that leverages the LoRA adapters created using decoupled fine-tuning to perform efficient agent orchestration with the help of local models on end-user devices. DualTune decomposes the tool-call generation step into tool selection and argument generation, and dynamically loads the corresponding LoRA adapters to generate tool calls. Additionally, DualTune implements hierarchical orchestration to restrict the number of tools required for tool selection. Our experiments on the MCP-Bench benchmark demonstrate that the Qwen-2.5-7B model trained using decoupled fine-tuning improves the tool calling accuracy of the base model by 46%, and outperforms other local reasoning, non-reasoning and fine-tuned models of similar size in all cases, and models that are 2x larger, in most cases.
Authors: Guy Dar
Abstract: We build upon vec2vec, a procedure designed to align text embedding spaces without parallel data. vec2vec finds a near-perfect alignment, but it is expensive and unstable. We present mini-vec2vec, a simple and efficient alternative that requires substantially lower computational cost and is highly robust. Moreover, the learned mapping is a linear transformation. Our method consists of three main stages: a tentative matching of pseudo-parallel embedding vectors, transformation fitting, and iterative refinement. Our linear alternative exceeds the original instantiation of vec2vec by orders of magnitude in efficiency, while matching or exceeding their results. The method's stability and interpretable algorithmic steps facilitate scaling and unlock new opportunities for adoption in new domains and fields.
Authors: Vinayak Sharma, Ashish Padhy, Lord Sen, Vijay Jagdish Karanjkar, Sourav Behera, Shyamapada Mukherjee, Aviral Shrivastava
Abstract: Kolmogorov-Arnold Networks or KANs have shown the ability to outperform classical Deep Neural Networks, while using far fewer trainable parameters for regression problems on scientific domains. Even more powerful has been their interpretability due to their structure being composed of univariate B-Spline functions. This enables us to derive closed-form equations from trained KANs for a wide range of problems. This paper introduces a quantum-inspired variant of the KAN based on Quantum Data Re-uploading (DR) models. The Quantum-Inspired Re-uploading KAN or QuIRK model replaces B-Splines with single-qubit DR models as the univariate function approximator, allowing them to match or outperform traditional KANs while using even fewer parameters. This is especially apparent in the case of periodic functions. Additionally, since the model utilizes only single-qubit circuits, it remains classically tractable to simulate with straightforward GPU acceleration. Finally, we also demonstrate that QuIRK retains the interpretability advantages and the ability to produce closed-form solutions.
Authors: Samer Al-Hamadani
Abstract: Object detection traditionally relies on costly manual annotation. We present the first comprehensive cost-effectiveness analysis comparing supervised YOLO and zero-shot vision-language models (Gemini Flash 2.5 and GPT-4). Evaluated on 5,000 stratified COCO images and 500 diverse product images, combined with Total Cost of Ownership modeling, we derive break-even thresholds for architecture selection. Results show supervised YOLO attains 91.2% accuracy versus 68.5% for Gemini and 71.3% for GPT-4 on standard categories; the annotation expense for a 100-category system is $10,800, and the accuracy advantage only pays off beyond 55 million inferences (151,000 images/day for one year). On diverse product categories Gemini achieves 52.3% and GPT-4 55.1%, while supervised YOLO cannot detect untrained classes. Cost-per-correct-detection favors Gemini ($0.00050) and GPT-4 ($0.00067) over YOLO ($0.143) at 100,000 inferences. We provide decision frameworks showing that optimal architecture choice depends on inference volume, category stability, budget, and accuracy requirements.
Authors: Runlin Zhou, Letian Li, Zemin Zheng
Abstract: We study personalized federated learning for multivariate responses where client models are heterogeneous yet share variable-level structure. Existing entry-wise penalties ignore cross-response dependence, while matrix-wise fusion over-couples clients. We propose a Sparse Row-wise Fusion (SROF) regularizer that clusters row vectors across clients and induces within-row sparsity, and we develop RowFed, a communication-efficient federated algorithm that embeds SROF into a linearized ADMM framework with privacy-preserving partial participation. Theoretically, we establish an oracle property for SROF-achieving correct variable-level group recovery with asymptotic normality-and prove convergence of RowFed to a stationary solution. Under random client participation, the iterate gap contracts at a rate that improves with participation probability. Empirically, simulations in heterogeneous regimes show that RowFed consistently lowers estimation and prediction error and strengthens variable-level cluster recovery over NonFed, FedAvg, and a personalized matrix-fusion baseline. A real-data study further corroborates these gains while preserving interpretability. Together, our results position row-wise fusion as an effective and transparent paradigm for large-scale personalized federated multivariate learning, bridging the gap between entry-wise and matrix-wise formulations.
Authors: Binghao Huang, Jie Xu, Iretiayo Akinola, Wei Yang, Balakumar Sundaralingam, Rowland O'Flaherty, Dieter Fox, Xiaolong Wang, Arsalan Mousavian, Yu-Wei Chao, Yunzhu Li
Abstract: Humans excel at bimanual assembly tasks by adapting to rich tactile feedback -- a capability that remains difficult to replicate in robots through behavioral cloning alone, due to the suboptimality and limited diversity of human demonstrations. In this work, we present VT-Refine, a visuo-tactile policy learning framework that combines real-world demonstrations, high-fidelity tactile simulation, and reinforcement learning to tackle precise, contact-rich bimanual assembly. We begin by training a diffusion policy on a small set of demonstrations using synchronized visual and tactile inputs. This policy is then transferred to a simulated digital twin equipped with simulated tactile sensors and further refined via large-scale reinforcement learning to enhance robustness and generalization. To enable accurate sim-to-real transfer, we leverage high-resolution piezoresistive tactile sensors that provide normal force signals and can be realistically modeled in parallel using GPU-accelerated simulation. Experimental results show that VT-Refine improves assembly performance in both simulation and the real world by increasing data diversity and enabling more effective policy fine-tuning. Our project page is available at https://binghao-huang.github.io/vt_refine/.
Authors: Blake Werner, Lizhi Yang, Aaron D. Ames
Abstract: Robust humanoid locomotion in unstructured environments requires architectures that balance fast low-level stabilization with slower perceptual decision-making. We show that a simple layered control architecture (LCA), a proprioceptive stabilizer running at high rate, coupled with a compact low-rate perceptual policy, enables substantially more robust performance than monolithic end-to-end designs, even when using minimal perception encoders. Through a two-stage training curriculum (blind stabilizer pretraining followed by perceptual fine-tuning), we demonstrate that layered policies consistently outperform one-stage alternatives in both simulation and hardware. On a Unitree G1 humanoid, our approach succeeds across stair and ledge tasks where one-stage perceptual policies fail. These results highlight that architectural separation of timescales, rather than network scale or complexity, is the key enabler for robust perception-conditioned locomotion.
Authors: Lizhi Yang, Blake Werner, Massimiliano de Sa, Aaron D. Ames
Abstract: Reinforcement learning (RL), while powerful and expressive, can often prioritize performance at the expense of safety. Yet safety violations can lead to catastrophic outcomes in real-world deployments. Control Barrier Functions (CBFs) offer a principled method to enforce dynamic safety -- traditionally deployed online via safety filters. While the result is safe behavior, the fact that the RL policy does not have knowledge of the CBF can lead to conservative behaviors. This paper proposes CBF-RL, a framework for generating safe behaviors with RL by enforcing CBFs in training. CBF-RL has two key attributes: (1) minimally modifying a nominal RL policy to encode safety constraints via a CBF term, (2) and safety filtering of the policy rollouts in training. Theoretically, we prove that continuous-time safety filters can be deployed via closed-form expressions on discrete-time roll-outs. Practically, we demonstrate that CBF-RL internalizes the safety constraints in the learned policy -- both enforcing safer actions and biasing towards safer rewards -- enabling safe deployment without the need for an online safety filter. We validate our framework through ablation studies on navigation tasks and on the Unitree G1 humanoid robot, where CBF-RL enables safer exploration, faster convergence, and robust performance under uncertainty, enabling the humanoid robot to avoid obstacles and climb stairs safely in real-world settings without a runtime safety filter.
Authors: Wenqian Zhang, Weiyang Liu, Zhen Liu
Abstract: The design of complex machines stands as both a marker of human intelligence and a foundation of engineering practice. Given recent advances in large language models (LLMs), we ask whether they, too, can learn to create. We approach this question through the lens of compositional machine design: a task in which machines are assembled from standardized components to meet functional demands like locomotion or manipulation in a simulated physical environment. With this simplification, machine design is expressed as writing XML-like code that explicitly specifies pairwise part connections. To support this investigation, we introduce BesiegeField, a testbed built on the machine-building game Besiege, which enables part-based construction, physical simulation and reward-driven evaluation. Using BesiegeField, we benchmark state-of-the-art LLMs with agentic workflows and identify key capabilities required for success, including spatial reasoning, strategic assembly, and instruction-following. As current open-source models fall short, we explore reinforcement learning (RL) as a path to improvement: we curate a cold-start dataset, conduct RL finetuning experiments, and highlight open challenges at the intersection of language, machine design, and physical reasoning.
Authors: Ahmed Aly (Concordia University), Essam Mansour (Concordia University), Amr Youssef (Concordia University)
Abstract: Advanced Persistent Threats (APTs) are stealthy cyberattacks that often evade detection in system-level audit logs. Provenance graphs model these logs as connected entities and events, revealing relationships that are missed by linear log representations. Existing systems apply anomaly detection to these graphs but often suffer from high false positive rates and coarse-grained alerts. Their reliance on node attributes like file paths or IPs leads to spurious correlations, reducing detection robustness and reliability. To fully understand an attack's progression and impact, security analysts need systems that can generate accurate, human-like narratives of the entire attack. To address these challenges, we introduce OCR-APT, a system for APT detection and reconstruction of human-like attack stories. OCR-APT uses Graph Neural Networks (GNNs) for subgraph anomaly detection, learning behavior patterns around nodes rather than fragile attributes such as file paths or IPs. This approach leads to a more robust anomaly detection. It then iterates over detected subgraphs using Large Language Models (LLMs) to reconstruct multi-stage attack stories. Each stage is validated before proceeding, reducing hallucinations and ensuring an interpretable final report. Our evaluations on the DARPA TC3, OpTC, and NODLINK datasets show that OCR-APT outperforms state-of-the-art systems in both detection accuracy and alert interpretability. Moreover, OCR-APT reconstructs human-like reports that comprehensively capture the attack story.
Authors: Lina Berrayana, Ahmed Heakl, Muhammad Abdullah Sohail, Thomas Hofmann, Salman Khan, Wei Chen
Abstract: Current autoregressive language models (ARMs) achieve high accuracy but require long token sequences, making them costly. Discrete diffusion language models (DDLMs) enable parallel and flexible generation within a fixed number of steps and have recently emerged for their strong performance in complex reasoning and long-term planning tasks. We present a study exploring hybrid architectures that couple DDLMs with ARMs to assess whether their collaboration can yield complementary benefits. We first examine collaboration in text space, where one model plans the reasoning process and another executes the final answer based on that plan. We then extend this setup to latent-space communication, introducing a learned projector that maps DDLM latents into the ARM's embedding space, potentially bypassing some of the text-generation limitations of diffusion models. We find that shifting DDLM --> ARM communication from text space to latent space yields significant accuracy gains, for example increasing from 27.0% to 54.0% on DART-5 and from 0.0% to 14.0% on AIME24. We also find that combining a DDLM planner with an ARM executor can provide substantial computational savings with little to no impact on accuracy. For example, the latent-space pipeline, using 64 tokens for planning and roughly 5 for execution, surpasses Qwen3.1-7B on DART-5 and AIME, despite Qwen using 44 times more tokens. Overall, our study offers new insights into reasoning with DDLMs and highlights their potential in hybrid architectures.