Authors: Chen Hu, Qianxi Zhao, Yuming Li, Mingyu Zhou, Xiyin Li
Abstract: The Newton-Schulz (NS) iteration has gained increasing interest for its role in the Muon optimizer and the Stiefel manifold. However, the conventional NS iteration suffers from inefficiency and instability. Although various improvements have been introduced to NS iteration, they fail to deviate from the conventional iterative paradigm, which could increase computation burden largely due to the matrix products along the long dimension repeatedly. To address this, we consolidate the iterative structure into a unified framework, named Unified Newton-Schulz Orthogonalization (UNSO). To do so, we could avoid a polynomial expansion. Instead, we evaluate the role of each matrix power, remove the insignificant terms, and provide a recommended polynomial with learnable coefficients. These learnable coefficients are then optimized, and achieve an outstanding performance with stable convergence. The code of our method is available: https://github.com/greekinRoma/Unified_Newton_Schulz_Orthogonalization.
URLs: https://github.com/greekinRoma/Unified_Newton_Schulz_Orthogonalization.
Authors: Saurabh Anand, Shubham Malaviya, Manish Shukla, Sachin Lodha
Abstract: Training AI models in cybersecurity with help of vast datasets offers significant opportunities to mimic real-world behaviors effectively. However, challenges like data drift and scarcity of labelled data lead to frequent updates of models and the risk of overfitting. To address these challenges, we used parameter-efficient fine-tuning techniques for pre-trained language models wherein we combine compacters with various layer freezing strategies. To enhance the capabilities of these pre-trained language models, in this work we introduce two strategies that use large language models. In the first strategy, we utilize large language models as data-labelling tools wherein they generate labels for unlabeled data. In the second strategy, large language modes are utilized as fallback mechanisms for predictions having low confidence scores. We perform comprehensive experimental analysis on the proposed strategies on different downstream tasks specific to cybersecurity domain. We empirically demonstrate that by combining parameter-efficient pre-trained models with large language models, we can improve the reliability and robustness of models, making them more suitable for real-world cybersecurity applications.
Authors: Min Zeng, Xi Chen, Haiqin Yang, Yike Guo
Abstract: Continual learning in natural language processing plays a crucial role in adapting to evolving data and preventing catastrophic forgetting. Despite significant progress, existing methods still face challenges, such as inefficient parameter reuse across tasks, risking catastrophic forgetting when tasks are dissimilar, and the unnecessary introduction of new parameters for each task, which hampers knowledge sharing among similar tasks. To tackle these issues, we propose a Sparse Adapter Fusion Method (SAFM), which dynamically fuses old and new adapters to address these challenges. SAFM operates in two stages: the decision stage and the tuning stage. In the decision stage, SAFM determines whether to incorporate a new adapter, reuse an existing one, or add an empty adapter. The architecture search procedure, designed to prioritize reusing or adding empty adapters, minimizes parameter consumption and maximizes reuse. In the tuning stage, SAFM especially facilitates a layer-wise loss to encourage differentiation between adapters, effectively capturing knowledge within the same task. Experimental results consistently show that SAFM outperforms state-of-the-art (SOTA) methods, achieving comparable performance while utilizing less than 60% of the parameters.
Authors: Xinyao Li, Hangwei Qian, Jingjing Li, Ivor Tsang
Abstract: Artificial intelligence (AI) has shown remarkable success in materials discovery and property prediction, particularly for crystalline and polymer systems where material properties and structures are dominated by discrete graph representations. Such graph-central paradigm breaks down on composite materials, which possess continuous and nonlinear design spaces that lack well-defined graph structures. General composite descriptors, e.g., fiber volume and misalignment angle, cannot fully capture the fiber distributions that fundamentally determine microstructural characteristics, necessitating the integration of heterogeneous data sources through multimodal learning. Existing alignment-oriented multimodal frameworks have proven effective on abundant crystal or polymer data under discrete, unique graph-property mapping assumptions, but fail to address the highly continuous composite design space under extreme data scarcity. In this work, we introduce ORDinal-aware imagE-tabulaR alignment (ORDER), a multimodal pretraining framework that establishes ordinality as a core principle for composite material representations. ORDER ensures that materials with similar target properties occupy nearby regions in the latent space, which effectively preserves the continuous nature of composite properties and enables meaningful interpolation between sparsely observed designs. We evaluate ORDER on a public Nanofiber-enforced composite dataset and an internally curated dataset that simulates the construction of carbon fiber T700 with diverse fiber distributions. ORDER achieves consistent improvements over state-of-the-art multimodal baselines across property prediction, cross-modal retrieval, and microstructure generation tasks.
Authors: Ha Na Cho, Seungmin Jeong, Yawen Guo, Alexander Lopez, Hansen Bow, Kai Zheng
Abstract: Objective: Predicting length of stay after elective spine surgery is essential for optimizing patient outcomes and hospital resource use. This systematic review synthesizes computational methods used to predict length of stay in this patient population, highlighting model performance and key predictors. Methods: Following PRISMA guidelines, we systematically searched PubMed, Google Scholar, and ACM Digital Library for studies published between December 1st, 2015, and December 1st, 2024. Eligible studies applied statistical or machine learning models to predict length of stay for elective spine surgery patients. Three reviewers independently screened studies and extracted data. Results: Out of 1,263 screened studies, 29 studies met inclusion criteria. Length of stay was predicted as a continuous, binary, or percentile-based outcome. Models included logistic regression, random forest, boosting algorithms, and neural networks. Machine learning models consistently outperformed traditional statistical models, with AUCs ranging from 0.94 to 0.99. K-Nearest Neighbors and Naive Bayes achieved top performance in some studies. Common predictors included age, comorbidities (notably hypertension and diabetes), BMI, type and duration of surgery, and number of spinal levels. However, external validation and reporting practices varied widely across studies. Discussion: There is growing interest in artificial intelligence and machine learning in length of stay prediction, but lack of standardization and external validation limits clinical utility. Future studies should prioritize standardized outcome definitions and transparent reporting needed to advance real-world deployment. Conclusion: Machine learning models offer strong potential for length of stay prediction after elective spine surgery, highlighting their potential for improving discharge planning and hospital resource management.
Authors: Yuyang Bai, Zhuofeng Li, Ping Nie, Jianwen Xie, Yu Zhang
Abstract: Large language models (LLMs) increasingly rely on external knowledge to improve factuality, yet many real-world knowledge sources are organized as heterogeneous graphs rather than plain text. Reasoning over such graph-structured knowledge poses two key challenges: (1) navigating structured, schema-defined relations requires precise function calls rather than similarity-based retrieval, and (2) answering complex questions often demands multi-hop evidence aggregation through iterative information seeking. We propose GraphDancer, a reinforcement learning (RL) framework that teaches LLMs to navigate graphs by interleaving reasoning and function execution. To make RL effective for moderate-sized LLMs, we introduce a graph-aware curriculum that schedules training by the structural complexity of information-seeking trajectories using an easy-to-hard biased sampler. We evaluate GraphDancer on a multi-domain benchmark by training on one domain only and testing on unseen domains and out-of-distribution question types. Despite using only a 3B backbone, GraphDancer outperforms baselines equipped with either a 14B backbone or GPT-4o-mini, demonstrating robust cross-domain generalization of graph exploration and reasoning skills. Our code and models can be found at https://yuyangbai.com/graphdancer/ .
Authors: Terence D Sanger
Abstract: Scaled dot-product attention (SDPA) is a fundamental component responsible for the success of large-language models and other nonlinear signal processing applications. The rationale for SDPA has been based upon "query, key, value" concepts borrowed from database theory, but these concepts are difficult to reconcile with standard methods in mathematical signal processing. We show that SDPA can be rewritten in a different but mathematically equivalent form as a projection of the input vectors onto a common surface determined by the inputs themselves. Therefore SDPA discovers nonlinear dependencies in the input that are time-dependent and context-dependent. The rewritten form of SDPA permits increased speed of both feedforward and learning algorithms, but more importantly suggests potential extensions. In the context of language, we re-interpret the role of SDPA as finding a time-dependent contextual meaning determined by the surface on which the set of input vectors lies. Input token embeddings are then modified by the local context surface. This interpretation differs substantially from the concept of "self-attention", and provides a strong justification for the use of SDPA for time-series data with time-varying local nonlinear dependencies.
Authors: George Grigorev
Abstract: We present IMU-1, a 430M-parameter language model trained on 72B tokens that approaches the benchmark performance of models trained on 56x more data. We describe a validated training recipe combining recent architectural interventions (QK-norm attention, per-head gating, value residuals, LayerNorm scaling) with optimization advances (NorMuon with cautious weight decay, muP parametrization) and a three-stage training schedule with post-hoc checkpoint EMA. We provide ablations for each component and release code, weights and data to enable reproduction: https://huggingface.co/thepowerfuldeez/imu1_base
Authors: Zerui Cheng, Jiashuo Liu, Jianzhu Yao, Pramod Viswanath, Ge Zhang, Wenhao Huang
Abstract: Standard tabular benchmarks mainly focus on the evaluation of a model's capability to interpolate values inside a data manifold, where models good at performing local statistical smoothing are rewarded. However, there exists a very large category of high-value tabular data, including financial modeling and physical simulations, which are generated based upon deterministic computational processes, as opposed to stochastic and noisy relationships. Therefore, we investigate if tabular models can provide an extension from statistical interpolation to computational extrapolation. We propose TabularMath, a diagnostic benchmark of 114 deterministic problems (233,472 rows) generated from verified programs based on GSM8K and AIME. We evaluate 9 tabular architectures and in-context learning (ICL) with GPT-OSS-120B. On standard regression metrics, TabPFN v2.5 performs remarkably well, achieving R^2=0.998 in-distribution and maintaining positive R^2 even under distribution shift, which is unique among the tabular models we tested. When we measure rounded consistency (exact integer match), a different picture emerges: TabPFN v2.5 drops below 10% on out-of-distribution data, while ICL maintains around 40%. This gap between R^2 and exact-match accuracy suggests that tabular models learn smooth function approximations but struggle to recover precise computational outputs under extrapolation. The two paradigms appear complementary: TabPFN scales efficiently with data; ICL achieves exact computation from few examples. We release all code and data to support further investigation.
Authors: Pengyue Hou
Abstract: The stability of generative artificial intelligence trained on recursive synthetic data is conventionally monitored via Perplexity (PPL). We demonstrate that PPL is a deceptive metric in context-stabilized regimes (L=128). Using a rigorous sliding-window protocol (N=1500), we identify a novel failure mode termed "Semantic Tunneling." While the Baseline model maintains high grammatical fluency (PPL approx. 83.9), it suffers a catastrophic loss of semantic diversity, converging within seven generations to a single, low-entropy narrative attractor: the "Robert Boulton" Singularity. This phenomenon represents a total collapse of the latent manifold (Global Effective Rank 3.62 -> 2.22), where the model discards diverse world knowledge to optimize for statistically safe syntactic templates. To address this, we apply the Multi-Scale Negative Coupled Information Systems (MNCIS) framework recently established in Hou (2026) [arXiv:2601.11594]. We demonstrate that Adaptive Spectral Negative Coupling (ASNC) acts as a topological operator that actively induces "Manifold Unfolding." MNCIS forces the model to expand its effective rank from the anisotropic baseline of 3.62 to a hyper-diverse state of 5.35, effectively constructing an "Artificial Manifold" that resists the gravitational pull of semantic attractors and preserves the long-tail distribution of the training data.
Authors: Lixiang Fan, Bohao Li, Tao Zou, Bowen Du, Junchen Ye
Abstract: Recent years have witnessed the rapid development of deep-learning-based, graph-neural-network-based forecasting methods for modern intelligent transportation systems. However, most existing work focuses exclusively on capturing spatio-temporal dependencies from historical traffic data, while overlooking the fact that suddenly occurring transportation incidents, such as traffic accidents and adverse weather, serve as external disturbances that can substantially alter temporal patterns. We argue that this issue has become a major obstacle to modeling the dynamics of traffic systems and improving prediction accuracy, but the unpredictability of incidents makes it difficult to observe patterns from historical sequences. To address these challenges, this paper proposes a novel framework named the Incident-Guided Spatiotemporal Graph Neural Network (IGSTGNN). IGSTGNN explicitly models the incident's impact through two core components: an Incident-Context Spatial Fusion (ICSF) module to capture the initial heterogeneous spatial influence, and a Temporal Incident Impact Decay (TIID) module to model the subsequent dynamic dissipation. To facilitate research on the spatio-temporal impact of incidents on traffic flow, a large-scale dataset is constructed and released, featuring incident records that are time-aligned with traffic time series. On this new benchmark, the proposed IGSTGNN framework is demonstrated to achieve state-of-the-art performance. Furthermore, the generalizability of the ICSF and TIID modules is validated by integrating them into various existing models.
Authors: Saurav Singh, Rodney Sanchez, Alexander Ororbia, Jamison Heard
Abstract: Reinforcement learning (RL) has the potential to transform real-world decision-making systems by enabling autonomous agents to learn from experience. Deploying RL in real-world settings, especially in the context of human-robot interaction, requires defining state representations and reward functions, which are critical for learning efficiency and policy performance. Traditional RL approaches often rely on domain expertise and trial-and-error, necessitating extensive human involvement as well as direct interaction with the environment, which can be costly and impractical, especially in complex and safety-critical applications. This work proposes a novel RL framework that leverages off-policy evaluation (OPE) for state space and reward function selection, using only logged interaction data. This approach eliminates the need for real-time access to the environment or human-in-the-loop feedback, greatly reducing the dependency on costly real-time interactions. The proposed approach systematically evaluates multiple candidate state representations and reward functions by training offline RL agents and applying OPE to estimate policy performance. The optimal state space and reward function are selected based on their ability to produce high-performing policies under OPE metrics. Our method is validated on two environments: the Lunar Lander environment by OpenAI Gym, which provides a controlled setting for assessing state space and reward function selection, and a NASA-MATB-II human subjects study environment, which evaluates the approach's real-world applicability to human-robot teaming scenarios. This work enhances the feasibility and scalability of offline RL for real-world environments by automating critical RL design decisions through a data-driven OPE-based evaluation, enabling more reliable, effective, and sustainable RL formulation for complex human-robot interaction settings.
Authors: Trishit Mondal, Ameya D. Jagtap
Abstract: The hypersonic unstart phenomenon poses a major challenge to reliable air-breathing propulsion at Mach 5 and above, where strong shock-boundary-layer interactions and rapid pressure fluctuations can destabilize inlet operation. Here, we demonstrate a deep reinforcement learning (DRL)- based active flow control strategy to control unstart in a canonical two-dimensional hypersonic inlet at Mach 5 and Reynolds number $5\times 10^6$. The in-house CFD solver enables high-fidelity simulations with adaptive mesh refinement, resolving key flow features, including shock motion, boundary-layer dynamics, and flow separation, that are essential for learning physically consistent control policies suitable for real-time deployment. The DRL controller robustly stabilizes the inlet over a wide range of back pressures representative of varying combustion chamber conditions. It further generalizes to previously unseen scenarios, including different back-pressure levels, Reynolds numbers, and sensor configurations, while operating with noisy measurements, thereby demonstrating strong zero-shot generalization. Control remains robust in the presence of noisy sensor measurements, and a minimal, optimally selected sensor set achieves comparable performance, enabling practical implementation. These results establish a data-driven approach for real-time hypersonic flow control under realistic operational uncertainties.
Authors: Mahyar Alinejad, Yue Wang, George Atia
Abstract: Transfer learning promises to reduce the high sample complexity of deep reinforcement learning (RL), yet existing methods struggle with domain shift between source and target environments. Policy distillation provides powerful tactical guidance but fails to transfer long-term strategic knowledge, while automaton-based methods capture task structure but lack fine-grained action guidance. This paper introduces Context-Aware Distillation with Experience-gated Transfer (CADENT), a framework that unifies strategic automaton-based knowledge with tactical policy-level knowledge into a coherent guidance signal. CADENT's key innovation is an experience-gated trust mechanism that dynamically weighs teacher guidance against the student's own experience at the state-action level, enabling graceful adaptation to target domain specifics. Across challenging environments, from sparse-reward grid worlds to continuous control tasks, CADENT achieves 40-60\% better sample efficiency than baselines while maintaining superior asymptotic performance, establishing a robust approach for adaptive knowledge transfer in RL.
Authors: Abdul Rehman, Ilona Heldal, Jerry Chun-Wei Lin
Abstract: Attention Deficit Hyperactivity Disorder (ADHD) is a neurodevelopmental disorder that is challenging to diagnose and requires advanced approaches for reliable and transparent identification and classification. It is characterized by a pattern of inattention, hyperactivity and impulsivity that is more severe and more frequent than in individuals with a comparable level of development. In this paper, an explainable framework based on a fine-tuned hybrid Deep Neural Network (DNN) and Recurrent Neural Network (RNN) called HyExDNN-RNN model is proposed for ADHD detection, multi-class categorization, and decision interpretation. This framework not only detects ADHD, but also provides interpretable insights into the diagnostic process so that psychologists can better understand and trust the results of the diagnosis. We use the Pearson correlation coefficient for optimal feature selection and machine and deep learning models for experimental analysis and comparison. We use a standardized technique for feature reduction, model selection and interpretation to accurately determine the diagnosis rate and ensure the interpretability of the proposed framework. Our framework provided excellent results on binary classification, with HyExDNN-RNN achieving an F1 score of 99% and 94.2% on multi-class categorization. XAI approaches, in particular SHapley Additive exPlanations (SHAP) and Permutation Feature Importance (PFI), provided important insights into the importance of features and the decision logic of models. By combining AI with human expertise, we aim to bridge the gap between advanced computational techniques and practical psychological applications. These results demonstrate the potential of our framework to assist in ADHD diagnosis and interpretation.
Authors: Tianle Gu, Kexin Huang, Lingyu Li, Ruilin Luo, Shiyang Huang, Zongqi Wang, Yujiu Yang, Yan Teng, Yingchun Wang
Abstract: Safety moderation is pivotal for identifying harmful content. Despite the success of textual safety moderation, its multimodal counterparts remain hindered by a dual sparsity of data and supervision. Conventional reliance on binary labels lead to shortcut learning, which obscures the intrinsic classification boundaries necessary for effective multimodal discrimination. Hence, we propose a novel learning paradigm (UniMod) that transitions from sparse decision-making to dense reasoning traces. By constructing structured trajectories encompassing evidence grounding, modality assessment, risk mapping, policy decision, and response generation, we reformulate monolithic decision tasks into a multi-dimensional boundary learning process. This approach forces the model to ground its decision in explicit safety semantics, preventing the model from converging on superficial shortcuts. To facilitate this paradigm, we develop a multi-head scalar reward model (UniRM). UniRM provides multi-dimensional supervision by assigning attribute-level scores to the response generation stage. Furthermore, we introduce specialized optimization strategies to decouple task-specific parameters and rebalance training dynamics, effectively resolving interference between diverse objectives in multi-task learning. Empirical results show UniMod achieves competitive textual moderation performance and sets a new multimodal benchmark using less than 40\% of the training data used by leading baselines. Ablations further validate our multi-attribute trajectory reasoning, offering an effective and efficient framework for multimodal moderation. Supplementary materials are available at \href{https://trustworthylab.github.io/UniMod/}{project website}.
Authors: Zheqi Lv, Zhenxuan Fan, Qi Tian, Wenqiao Zhang, Yueting Zhuang
Abstract: Post-training quantization (PTQ) is a widely used method to compress large language models (LLMs) without fine-tuning. It typically sets quantization hyperparameters (e.g., scaling factors) based on current-layer activations. Although this method is efficient, it suffers from quantization bias and error accumulation, resulting in suboptimal and unstable quantization, especially when the calibration data is biased. To overcome these issues, we propose Future-Aware Quantization (FAQ), which leverages future-layer activations to guide quantization. This allows better identification and preservation of important weights, while reducing sensitivity to calibration noise. We further introduce a window-wise preview mechanism to softly aggregate multiple future-layer activations, mitigating over-reliance on any single layer. To avoid expensive greedy search, we use a pre-searched configuration to minimize overhead. Experiments show that FAQ consistently outperforms prior methods with negligible extra cost, requiring no backward passes, data reconstruction, or tuning, making it well-suited for edge deployment.
Authors: Shuxin Zhuang, Zi Liang, Runsheng Yu, Hongzong Li, Rong Feng, Shiqin Tang, Youzhi Zhang
Abstract: Recent vision-centric approaches have made significant strides in long-context modeling. Represented by DeepSeek-OCR, these models encode rendered text into continuous vision tokens, achieving high compression rates without sacrificing recognition precision. However, viewing the vision encoder as a lossy channel with finite representational capacity raises a fundamental question: what is the information upper bound of visual tokens? To investigate this limit, we conduct controlled stress tests by progressively increasing the information quantity (character count) within an image. We observe a distinct phase-transition phenomenon characterized by three regimes: a near-perfect Stable Phase, an Instability Phase marked by increased error variance, and a total Collapse Phase. We analyze the mechanical origins of these transitions and identify key factors. Furthermore, we formulate a probabilistic scaling law that unifies average vision token load and visual density into a latent difficulty metric. Extensive experiments across various Vision-Language Models demonstrate the universality of this scaling law, providing critical empirical guidance for optimizing the efficiency-accuracy trade-off in visual context compression.
Authors: Qingyu Wu, Jianfei Shen, Feiyi Fan, Yang Gu, Chenyang Xu, Yiqiang Chen
Abstract: For low-semantic sensor signals from human activity recognition (HAR), contrastive learning (CL) is essential to implement novel applications or generic models without manual annotation, which is a high-performance self-supervised learning (SSL) method. However, CL relies heavily on data augmentation for pairwise comparisons. Especially for low semantic data in the HAR area, conducting good performance augmentation strategies in pretext tasks still rely on manual attempts lacking generalizability and flexibility. To reduce the augmentation burden, we propose an end-to-end auto-augmentation contrastive learning (AutoCL) method for wearable-based HAR. AutoCL is based on a Siamese network architecture that shares the parameters of the backbone and with a generator embedded to learn auto-augmentation. AutoCL trains the generator based on the representation in the latent space to overcome the disturbances caused by noise and redundant information in raw sensor data. The architecture empirical study indicates the effectiveness of this design. Furthermore, we propose a stop-gradient design and correlation reduction strategy in AutoCL to enhance encoder representation learning. Extensive experiments based on four wide-used HAR datasets demonstrate that the proposed AutoCL method significantly improves recognition accuracy compared with other SOTA methods.
Authors: Mingda Liu, Zhenghan Zhu, Ze'an Miao, Katsuki Fujisawa
Abstract: Model editing has emerged as a practical approach for mitigating factual errors and outdated knowledge in large language models (LLMs). Among existing methods, the Locate-and-Edit (L&E) paradigm is the dominant framework: it locates MLP parameters implicated in expressing a target fact, and then performs a localized update to rewrite that fact. However, long sequences of edits often trigger abrupt model collapse in L&E beyond a critical point. We empirically identify a strong correlation between collapse and explosive growth of edited MLP weight norms, and formally prove that commonly used L&E update rules can induce exponential norm growth across sequential edits in the absence of explicit norm control. To address this issue, we propose Norm-Anchor Scaling NAS, a plug-and-play norm-constrained strategy. Across extensive experiments, NAS delays the collapse point of representative L&E algorithms by more than 4 times and yields a 72.2% average relative gain in editing performance, requiring only a single additional line of code and incurring negligible computational overhead.
Authors: Wenhao Sun, Rong-Cheng Tu, Yifu Ding, Zhao Jin, Jingyi Liao, Yongcheng Jing, Dacheng Tao
Abstract: While Diffusion Language Models (DLMs) offer a flexible, arbitrary-order alternative to the autoregressive paradigm, their non-causal nature precludes standard KV caching, forcing costly hidden state recomputation at every decoding step. Existing DLM caching approaches reduce this cost by selective hidden state updates; however, they are still limited by (i) costly token-wise update identification heuristics and (ii) rigid, uniform budget allocation that fails to account for heterogeneous hidden state dynamics. To address these challenges, we present SPA-Cache that jointly optimizes update identification and budget allocation in DLM cache. First, we derive a low-dimensional singular proxy that enables the identification of update-critical tokens in a low-dimensional subspace, substantially reducing the overhead of update identification. Second, we introduce an adaptive strategy that allocates fewer updates to stable layers without degrading generation quality. Together, these contributions significantly improve the efficiency of DLMs, yielding up to an $8\times$ throughput improvement over vanilla decoding and a $2$--$4\times$ speedup over existing caching baselines.
Authors: Dayu Wang, Jiaye Yang, Weikang Li, Jiahui Liang, Yang Li
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has demonstrated remarkable success in enhancing the reasoning capabilities of Large Language Models (LLMs). However, recent studies question whether RL genuinely expands reasoning capacity or merely aligns existing latent capabilities, arguing that exploration remains confined within the pre-trained model's low-rank bias manifold. In this work, we challenge this accessibility boundary hypothesis by demonstrating that the latent reasoning space can be fundamentally expanded through targeted geometric interventions. We propose Manifold-Reshaping Policy Optimization (MRPO), a geometric framework designed to fundamentally restructure the inference space of LLMs. MRPO operates in two stages: first, we employ Spectral Orthogonal Exploration (SOE) to eject the policy initialization into the null space of the bias manifold; second, we integrate an Effective Rank regularization term into the policy optimization objective. This approach incentivizes the discovery and maintenance of high-dimensional reasoning trajectories against the entropy-reducing tendency of standard RL. Empirically, our 4B-parameter method achieves state-of-the-art performance on mathematical tasks, significantly outperforming larger models (e.g., Qwen3-32B) and expanding the capability boundary beyond standard GRPO. Our code is available at https://anonymous.4open.science/r/MRPO-D57B/
Authors: Xianglong Yan, ChengZhu Bao, Zhiteng Li, Tianao Zhang, Shaoqiu Zhang, Ruobing Xie, Samm Sun, Yulun Zhang
Abstract: Large language models (LLMs) deliver strong performance, but their high compute and memory costs make deployment difficult in resource-constrained scenarios. Weight-only post-training quantization (PTQ) is appealing, as it reduces memory usage and enables practical speedup without low-bit operators or specialized hardware. However, accuracy often degrades significantly in weight-only PTQ at sub-4-bit precision, and our analysis identifies two main causes: (1) down-projection matrices are a well-known quantization bottleneck, but maintaining their fidelity often requires extra bit-width; (2) weight quantization induces activation deviations, but effective correction strategies remain underexplored. To address these issues, we propose D$^2$Quant, a novel weight-only PTQ framework that improves quantization from both the weight and activation perspectives. On the weight side, we design a Dual-Scale Quantizer (DSQ) tailored to down-projection matrices, with an absorbable scaling factor that significantly improves accuracy without increasing the bit budget. On the activation side, we propose Deviation-Aware Correction (DAC), which incorporates a mean-shift correction within LayerNorm to mitigate quantization-induced activation distribution shifts. Extensive experiments across multiple LLM families and evaluation metrics show that D$^2$Quant delivers superior performance for weight-only PTQ at sub-4-bit precision. The code and models will be available at https://github.com/XIANGLONGYAN/D2Quant.
Authors: Hankyeol Kim, Pilsung Kang
Abstract: Physics-Informed Neural Networks (PINNs) are effective methods for solving inverse problems and discovering governing equations from observational data. However, their performance degrades significantly under complex measurement noise and gross outliers. To address this issue, we propose the Noise-Adaptive Physics-Informed Neural Network (naPINN), which robustly recovers physical solutions from corrupted measurements without prior knowledge of the noise distribution. naPINN embeds an energy-based model into the training loop to learn the latent distribution of prediction residuals. Leveraging the learned energy landscape, a trainable reliability gate adaptively filters data points exhibiting high energy, while a rejection cost regularization prevents trivial solutions where valid data are discarded. We demonstrate the efficacy of naPINN on various benchmark partial differential equations corrupted by non-Gaussian noise and varying rates of outliers. The results show that naPINN significantly outperforms existing robust PINN baselines, successfully isolating outliers and accurately reconstructing the dynamics under severe data corruption.
Authors: Xiaoce Wang, Guibin Zhang, Junzhe Li, Jinzhe Tu, Chun Li, Ming Li
Abstract: Existing GUI agent models relying on coordinate-based one-step visual grounding struggle with generalizing to varying input resolutions and aspect ratios. Alternatives introduce coordinate-free strategies yet suffer from learning under severe data scarcity. To address the limitations, we propose ToolTok, a novel paradigm of multi-step pathfinding for GUI agents, where operations are modeled as a sequence of progressive tool usage. Specifically, we devise tools aligned with human interaction habits and represent each tool using learnable token embeddings. To enable efficient embedding learning under limited supervision, ToolTok introduces a semantic anchoring mechanism that grounds each tool with semantically related concepts as natural inductive bias. To further enable a pre-trained large language model to progressively acquire tool semantics, we construct an easy-to-hard curriculum consisting of three tasks: token definition question-answering, pure text-guided tool selection, and simplified visual pathfinding. Extensive experiments on multiple benchmarks show that ToolTok achieves superior performance among models of comparable scale (4B) and remains competitive with a substantially larger model (235B). Notably, these results are obtained using less than 1% of the training data required by other post-training approaches. In addition, ToolTok demonstrates strong generalization across unseen scenarios. Our training & inference code is open-source at https://github.com/ZephinueCode/ToolTok.
Authors: Hao Zeng, Huipeng Huang, Xinhao Qu, Jianguo Huang, Bingyi Jing, Hongxin Wei
Abstract: Data annotation often involves multiple sources with different cost-quality trade-offs, such as fast large language models (LLMs), slow reasoning models, and human experts. In this work, we study the problem of routing inputs to the most cost-efficient annotation source while controlling the labeling error on test instances. We propose \textbf{HyPAC}, a method that adaptively labels inputs to the most cost-efficient annotation source while providing distribution-free guarantees on annotation error. HyPAC calibrates two decision thresholds using importance sampling and upper confidence bounds, partitioning inputs into three regions based on uncertainty and routing each to the appropriate annotation source. We prove that HyPAC achieves the minimum expected cost with a probably approximately correct (PAC) guarantee on the annotation error, free of data distribution and pre-trained models. Experiments on common benchmarks demonstrate the effectiveness of our method, reducing the annotation cost by 78.51\% while tightly controlling the annotation error.
Authors: Hua Wang, Jinghao Lu, Fan Zhang
Abstract: Transformer-based foundation models have achieved remarkable progress in tasks such as time-series forecasting and image segmentation. However, they frequently suffer from error accumulation in multivariate long-sequence prediction and exhibit vulnerability to out-of-distribution samples in image-related tasks. Furthermore, these challenges become particularly pronounced in large-scale Web data analysis tasks, which typically involve complex temporal patterns and multimodal features. This complexity substantially increases optimization difficulty, rendering models prone to stagnation at saddle points within high-dimensional parameter spaces. To address these issues, we propose a lightweight Transformer architecture in conjunction with a novel Escape-Explore Optimizer (EEO). The optimizer enhances both exploration and generalization while effectively avoiding sharp minima and saddle-point traps. Experimental results show that, in representative Web data scenarios, our method achieves performance on par with state-of-the-art models across 11 time-series benchmark datasets and the Synapse medical image segmentation task. Moreover, it demonstrates superior generalization and stability, thereby validating its potential as a versatile cross-task foundation model for Web-scale data mining and analysis.
Authors: Jingwen Xu, Yiyang Lu, Zisu Huang, Changze Lv, Xiaohua Wang, Shizheng Li, Zhibo Xu, Zhengkang Guo, Zhengyuan Wang, Muzhao Tian, Xuanjing Huang, Xiaoqing Zheng
Abstract: Training LLMs for code-related tasks typically depends on high-quality code-documentation pairs, which are costly to curate and often scarce for niche programming languages. We introduce BatCoder, a self-supervised reinforcement learning framework designed to jointly optimize code generation and documentation production. BatCoder employs a back-translation strategy: a documentation is first generated from code, and then the generated documentation is used to reconstruct the original code. The semantic similarity between the original and reconstructed code serves as an implicit reward, enabling reinforcement learning to improve the model's performance both in generating code from documentation and vice versa. This approach allows models to be trained using only code, substantially increasing the available training examples. Evaluated on HumanEval and MBPP with a 7B model, BatCoder achieved 83.5% and 81.0% pass@1, outperforming strong open-source baselines. Moreover, the framework demonstrates consistent scaling with respect to both training corpus size and model capacity.
Authors: Bizhe Bai, Xinyue Wang, Peng Ye, Tao Chen
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) improves LLM reasoning, yet growing evidence indicates an exploration ceiling: it often reweights existing solution traces rather than discovering new strategies, limiting gains under large sampling budgets (e.g., pass-at-256). We address this limitation with PSN-RLVR, which perturbs policy parameters before rollout generation to induce temporally consistent, trajectory-level exploration that better preserves long-horizon chain-of-thought coherence than action-space noise. To mitigate the resulting sampling-update mismatch, we incorporate truncated importance sampling (TIS). To avoid expensive KL-based adaptive noise control, we propose a computationally efficient real-time adaptive noise scheduler driven by a lightweight surrogate that combines semantic diversity with normalized self-certainty. Instantiated on GRPO, a widely used RLVR method, PSN-GRPO consistently expands the effective reasoning capability boundary across multiple mathematical reasoning benchmarks and model families, yielding higher pass-at-k under large sampling budgets and outperforming prior exploration-oriented RLVR methods (e.g., Pass-at-k-style training) while remaining orthogonal and thus composable for additional gains.
Authors: Xuancheng Li, Haitao Li, Yujia Zhou, Yiqun Liu, Qingyao Ai
Abstract: Large language models (LLMs) are largely static and often redo reasoning or repeat mistakes. Prior experience reuse typically relies on external retrieval, which is similarity-based, can introduce noise, and adds latency. We introduce SEAM (Structured Experience Adapter Module), a lightweight, executor-specific plug-in that stores experience in its parameters and generates a structured, instance-tailored experience entry in a single forward pass to guide a frozen LLM executor. SEAM is trained for utility via executor rollouts and GRPO while keeping the executor frozen, and it can be further improved after deployment with supervised fine-tuning on logged successful trajectories. Experiments on mathematical reasoning benchmarks show consistent accuracy gains across executors with low overhead. Extensive ablations and analyses further elucidate the mechanisms underlying SEAM's effectiveness and robustness.
Authors: Yupeng Chen, Junchi Yu, Aoxi Liu, Philip Torr, Adel Bibi
Abstract: Recent advances in end-to-end trained omni-models have significantly improved multimodal understanding. At the same time, safety red-teaming has expanded beyond text to encompass audio-based jailbreak attacks. However, an important bridge between textual and audio jailbreaks remains underexplored. In this work, we study the cross-modality transfer of jailbreak attacks from text to audio, motivated by the semantic similarity between the two modalities and the maturity of textual jailbreak methods. We first analyze the connection between modality alignment and cross-modality jailbreak transfer, showing that strong alignment can inadvertently propagate textual vulnerabilities to the audio modality, which we term the alignment curse. Guided by this analysis, we conduct an empirical evaluation of textual jailbreaks, text-transferred audio jailbreaks, and existing audio-based jailbreaks on recent omni-models. Our results show that text-transferred audio jailbreaks perform comparably to, and often better than, audio-based jailbreaks, establishing them as simple yet powerful baselines for future audio red-teaming. We further demonstrate strong cross-model transferability and show that text-transferred audio attacks remain effective even under a stricter audio-only access threat model.
Authors: Zekang Yang, Hong Liu, Xiangdong Wang
Abstract: Deep learning has been extensively researched in the analysis of pathology whole-slide images (WSIs). However, most existing methods are limited to providing prediction interpretability by locating the model's salient areas in a post-hoc manner, failing to offer more reliable and accountable explanations. In this work, we propose Phenotype-Aware Multiple Instance Learning (PA-MIL), a novel ante-hoc interpretable framework that identifies cancer-related phenotypes from WSIs and utilizes them for cancer subtyping. To facilitate PA-MIL in learning phenotype-aware features, we 1) construct a phenotype knowledge base containing cancer-related phenotypes and their associated genotypes. 2) utilize the morphological descriptions of phenotypes as language prompting to aggregate phenotype-related features. 3) devise the Genotype-to-Phenotype Neural Network (GP-NN) grounded in genotype-to-phenotype relationships, which provides multi-level guidance for PA-MIL. Experimental results on multiple datasets demonstrate that PA-MIL achieves competitive performance compared to existing MIL methods while offering improved interpretability. PA-MIL leverages phenotype saliency as evidence and, using a linear classifier, achieves competitive results compared to state-of-the-art methods. Additionally, we thoroughly analyze the genotype-phenotype relationships, as well as cohort-level and case-level interpretability, demonstrating the reliability and accountability of PA-MIL.
Authors: Bartlomiej Sobieski, Jakub Grzywaczewski, Karol Dobiczek, Mateusz W\'ojcik, Tomasz Bartczak, Patryk Szatkowski, Przemys{\l}aw Bombi\'nski, Matthew Tivnan, Przemyslaw Biecek
Abstract: Lung cancer remains the leading cause of cancer mortality, driving the development of automated screening tools to alleviate radiologist workload. Standing at the frontier of this effort is Sybil, a deep learning model capable of predicting future risk solely from computed tomography (CT) with high precision. However, despite extensive clinical validation, current assessments rely purely on observational metrics. This correlation-based approach overlooks the model's actual reasoning mechanism, necessitating a shift to causal verification to ensure robust decision-making before clinical deployment. We propose S(H)NAP, a model-agnostic auditing framework that constructs generative interventional attributions validated by expert radiologists. By leveraging realistic 3D diffusion bridge modeling to systematically modify anatomical features, our approach isolates object-specific causal contributions to the risk score. Providing the first interventional audit of Sybil, we demonstrate that while the model often exhibits behavior akin to an expert radiologist, differentiating malignant pulmonary nodules from benign ones, it suffers from critical failure modes, including dangerous sensitivity to clinically unjustified artifacts and a distinct radial bias.
Authors: Jiaming Ma, Binwu Wang, Pengkun Wang, Xu Wang, Zhengyang Zhou, Yang Wang
Abstract: Prevailing spatiotemporal prediction models typically operate under a forward (unidirectional) learning paradigm, in which models extract spatiotemporal features from historical observation input and map them to target spatiotemporal space for future forecasting (label). However, these models frequently exhibit suboptimal performance when spatiotemporal discrepancies exist between inputs and labels, for instance, when nodes with similar time-series inputs manifest distinct future labels, or vice versa. To address this limitation, we propose explicitly incorporating label features during the training phase. Specifically, we introduce the Spatiotemporal Residual Theorem, which generalizes the conventional unidirectional spatiotemporal prediction paradigm into a bidirectional learning framework. Building upon this theoretical foundation, we design an universal module, termed ReLearner, which seamlessly augments Spatiotemporal Neural Networks (STNNs) with a bidirectional learning capability via an auxiliary inverse learning process. In this process, the model relearns the spatiotemporal feature residuals between input data and future data. The proposed ReLearner comprises two critical components: (1) a Residual Learning Module, designed to effectively disentangle spatiotemporal feature discrepancies between input and label representations; and (2) a Residual Smoothing Module, employed to smooth residual terms and facilitate stable convergence. Extensive experiments conducted on 11 real-world datasets across 14 backbone models demonstrate that ReLearner significantly enhances the predictive performance of existing STNNs.Our code is available on GitHub.
Authors: Subhodeep Ghosh, Bayan Divaaniaazar, Md Ishat-E-Rabban, Spencer Clarke, Senjuti Basu Roy
Abstract: Data annotation is essential for supervised learning, yet producing accurate, unbiased, and scalable labels remains challenging as datasets grow in size and modality. Traditional human-centric pipelines are costly, slow, and prone to annotator variability, motivating reliability-aware automated annotation. We present AURA (Agentic AI for Unified Reliability Modeling and Annotation Aggregation), an agentic AI framework for large-scale, multi-modal data annotation. AURA coordinates multiple AI agents to generate and validate labels without requiring ground truth. At its core, AURA adapts a classical probabilistic model that jointly infers latent true labels and annotator reliability via confusion matrices, using Expectation-Maximization to reconcile conflicting annotations and aggregate noisy predictions. Across the four benchmark datasets evaluated, AURA achieves accuracy improvements of up to 5.8% over baseline. In more challenging settings with poor quality annotators, the improvement is up to 50% over baseline. AURA also accurately estimates the reliability of annotators, allowing assessment of annotator quality even without any pre-validation steps.
Authors: Huanran Li, Jeremy Johnson, Daniel Pimentel-Alarc\'on
Abstract: This paper approaches high-rank matrix completion (HRMC) by filling missing entries in a data matrix where columns lie near a union of subspaces, clustering these columns, and identifying the underlying subspaces. Current methods often lack theoretical support, produce uninterpretable results, and require more samples than theoretically necessary. We propose clustering incomplete vectors by grouping proxy subspaces and minimizing two criteria over the Grassmannian: (a) the chordal distance between each point and its corresponding subspace and (b) the geodesic distances between subspaces of all data points. Experiments on synthetic and real datasets demonstrate that our method performs comparably to leading methods in high sampling rates and significantly better in low sampling rates, thus narrowing the gap to the theoretical sampling limit of HRMC.
Authors: Samin Semsar, Kiran Laxmikant Prabhu, Gabriella Waters, James Foulds
Abstract: There are ongoing discussions about predictive policing systems, such as those deployed in Los Angeles, California and Baltimore, Maryland, being unfair, for example, by exhibiting racial bias. Studies found that unfairness may be due to feedback loops and being trained on historically biased recorded data. However, comparative studies on predictive policing systems are few and are not sufficiently comprehensive. In this work, we perform a comprehensive comparative simulation study on the fairness and accuracy of predictive policing technologies in Baltimore. Our results suggest that the situation around bias in predictive policing is more complex than was previously assumed. While predictive policing exhibited bias due to feedback loops as was previously reported, we found that the traditional alternative, hot spots policing, had similar issues. Predictive policing was found to be more fair and accurate than hot spots policing in the short term, although it amplified bias faster, suggesting the potential for worse long-run behavior. In Baltimore, in some cases the bias in these systems tended toward over-policing in White neighborhoods, unlike in previous studies. Overall, this work demonstrates a methodology for city-specific evaluation and behavioral-tendency comparison of predictive policing systems, showing how such simulations can reveal inequities and long-term tendencies.
Authors: Jingyi Xu, Shengnan Wang, Weidong Yang, Siwei Tu, Lei Bai, Ben Fei
Abstract: Arctic sea ice plays a critical role in regulating Earth's climate system, significantly influencing polar ecological stability and human activities in coastal regions. Recent advances in artificial intelligence have facilitated the development of skillful pan-Arctic sea ice forecasting systems, where data-driven approaches showcase tremendous potential to outperform conventional physics-based numerical models in terms of accuracy, computational efficiency and forecasting lead times. Despite the latest progress made by deep learning (DL) forecasting models, most of their skillful forecasting lead times are confined to daily subseasonal scale and monthly averaged values for up to six months, which drastically hinders their deployment for real-world applications, e.g., maritime routine planning for Arctic transportation and scientific investigation. Extending daily forecasts from subseasonal to seasonal (S2S) scale is scientifically crucial for operational applications. To bridge the gap between the forecasting lead time of current DL models and the significant daily S2S scale, we introduce IceBench-S2S, the first comprehensive benchmark for evaluating DL approaches in mitigating the challenge of forecasting Arctic sea ice concentration in successive 180-day periods. It proposes a generalized framework that first compresses spatial features of daily sea ice data into a deep latent space. The temporally concatenated deep features are subsequently modeled by DL-based forecasting backbones to predict the sea ice variation at S2S scale. IceBench-S2S provides a unified training and evaluation pipeline for different backbones, along with practical guidance for model selection in polar environmental monitoring tasks.
Authors: Protik Nag, Krishnan Raghavan, Vignesh Narayanan
Abstract: We introduce $\textbf{Hierarchical Taylor Series-based Continual Learning (HTCL)}$, a framework that couples fast local adaptation with conservative, second-order global consolidation to address the high variance introduced by random task ordering. To address task-order effects, HTCL identifies the best intra-group task sequence and integrates the resulting local updates through a Hessian-regularized Taylor expansion, yielding a consolidation step with theoretical guarantees. The approach naturally extends to an $L$-level hierarchy, enabling multiscale knowledge integration in a manner not supported by conventional single-level CL systems. Across a wide range of datasets and replay and regularization baselines, HTCL acts as a model-agnostic consolidation layer that consistently enhances performance, yielding mean accuracy gains of $7\%$ to $25\%$ while reducing the standard deviation of final accuracy by up to $68\%$ across random task permutations.
Authors: Zhiqi Li, Yuchen Sun, Duowen Chen, Jinjin He, Bo Zhu
Abstract: We propose \emph{Euler Mean Flows (EMF)}, a flow-based generative framework for one-step and few-step generation that enforces long-range trajectory consistency with minimal sampling cost. The key idea of EMF is to replace the trajectory consistency constraint, which is difficult to supervise and optimize over long time scales, with a principled linear surrogate that enables direct data supervision for long-horizon flow-map compositions. We derive this approximation from the semigroup formulation of flow-based models and show that, under mild regularity assumptions, it faithfully approximates the original consistency objective while being substantially easier to optimize. This formulation leads to a unified, JVP-free training framework that supports both $u$-prediction and $x_1$-prediction variants, avoiding explicit Jacobian computations and significantly reducing memory and computational overhead. Experiments on image synthesis, particle-based geometry generation, and functional generation demonstrate improved optimization stability and sample quality under fixed sampling budgets, together with approximately $50\%$ reductions in training time and memory consumption compared to existing one-step methods for image generation.
Authors: Haichuan Wang, Tao Lin, Lingkai Kong, Ce Li, Hezi Jiang, Milind Tambe
Abstract: Existing alignment methods directly use the reward model learned from user preference data to optimize an LLM policy, subject to KL regularization with respect to the base policy. This practice is suboptimal for maximizing user's utility because the KL regularization may cause the LLM to inherit the bias in the base policy that conflicts with user preferences. While amplifying rewards for preferred outputs can mitigate this bias, it also increases the risk of reward hacking. This tradeoff motivates the problem of optimally designing reward models under KL regularization. We formalize this reward model optimization problem as a Stackelberg game, and show that a simple reward shaping scheme can effectively approximate the optimal reward model. We empirically evaluate our method in inference-time alignment settings and demonstrate that it integrates seamlessly into existing alignment methods with minimal overhead. Our method consistently improves average reward and achieves win-tie rates exceeding 66% against all baselines, averaged across evaluation settings.
Authors: Haonan Dong, Chun-Wun Cheng, Angelica I. Aviles-Rivero
Abstract: In this paper, we introduce product interactions, an algebraic formalism in which neural network layers are constructed from compositions of a multiplication operator defined over suitable algebras. Product interactions provide a principled way to generate and organize algebraic expressions by increasing interaction order. Our central observation is that algebraic expressions in modern neural networks admit a unified construction in terms of linear, quadratic, and higher-order product interactions. Convolutional and equivariant networks arise as symmetry-constrained linear product interactions, while attention and Mamba correspond to higher-order product interactions.
Authors: Nan Zhang, Eugene Kwek, Yusen Zhang, Muyu Pan, Suhang Wang, Prasenjit Mitra, Rui Zhang
Abstract: Weight-only quantization is important for compressing Large Language Models (LLMs). Inspired by the spirit of classical magnitude pruning, we study whether the magnitude of weight updates during reasoning-incentivized fine-tuning can provide valuable signals for quantizing Large Reasoning Models (LRMs). We hypothesize that the smallest and largest weight updates during fine-tuning are more important than those of intermediate magnitude, a phenomenon we term "protecting both ends". Upon hypothesis validation, we introduce QuantLRM, which stands for weight quantization of LRMs via fine-tuning signals. We fit simple restricted quadratic functions on weight updates to protect both ends. By multiplying the average quadratic values with the count of zero weight updates of channels, we compute channel importance that is more effective than using activation or second-order information. We run QuantLRM to quantize various fine-tuned models (including supervised, direct preference optimization, and reinforcement learning fine-tuning) over four reasoning benchmarks (AIME-120, FOLIO, temporal sequences, and GPQA-Diamond) and empirically find that QuantLRM delivers a consistent improvement for LRMs quantization, with an average improvement of 6.55% on a reinforcement learning fine-tuned model. Also supporting non-fine-tuned LRMs, QuantLRM gathers effective signals via pseudo-fine-tuning, which greatly enhances its applicability.
Authors: Alireza Moradi, Mathieu Tanneau, Reza Zandehshahvar, Pascal Van Hentenryck
Abstract: The rapid growth of renewable energy penetration has intensified the need for reliable probabilistic forecasts to support grid operations at aggregated (fleet or system) levels. In practice, however, system operators often lack access to fleet-level probabilistic models and instead rely on site-level forecasts produced by heterogeneous third-party providers. Constructing coherent and calibrated fleet-level probabilistic forecasts from such inputs remains challenging due to complex cross-site dependencies and aggregation-induced miscalibration. This paper proposes a calibrated probabilistic aggregation framework that directly converts site-level probabilistic forecasts into reliable fleet-level forecasts in settings where system-level models cannot be trained or maintained. The framework integrates copula-based dependence modeling to capture cross-site correlations with Context-Aware Conformal Prediction (CACP) to correct miscalibration at the aggregated level. This combination enables dependence-aware aggregation while providing valid coverage and maintaining sharp prediction intervals. Experiments on large-scale solar generation datasets from MISO, ERCOT, and SPP demonstrate that the proposed Copula+CACP approach consistently achieves near-nominal coverage with significantly sharper intervals than uncalibrated aggregation baselines.
Authors: Ali Forootani, Raffaele Iervolino
Abstract: This paper proposes a unified family of learnable Koopman operator parameterizations that integrate linear dynamical systems theory with modern deep learning forecasting architectures. We introduce four learnable Koopman variants-scalar-gated, per-mode gated, MLP-shaped spectral mapping, and low-rank Koopman operators which generalize and interpolate between strictly stable Koopman operators and unconstrained linear latent dynamics. Our formulation enables explicit control over the spectrum, stability, and rank of the linear transition operator while retaining compatibility with expressive nonlinear backbones such as Patchtst, Autoformer, and Informer. We evaluate the proposed operators in a large-scale benchmark that also includes LSTM, DLinear, and simple diagonal State-Space Models (SSMs), as well as lightweight transformer variants. Experiments across multiple horizons and patch lengths show that learnable Koopman models provide a favorable bias-variance trade-off, improved conditioning, and more interpretable latent dynamics. We provide a full spectral analysis, including eigenvalue trajectories, stability envelopes, and learned spectral distributions. Our results demonstrate that learnable Koopman operators are effective, stable, and theoretically principled components for deep forecasting.
Authors: Jiaxuan Zou, Zixuan Gong, Ye Su, Huayi Tang, Yong Liu
Abstract: Neural scaling laws govern the prediction power-law improvement of test loss with respect to model capacity ($N$), datasize ($D$), and compute ($C$). However, existing theoretical explanations often rely on specific architectures or complex kernel methods, lacking intuitive universality. In this paper, we propose a unified framework that abstracts general learning tasks as the progressive coverage of patterns from a long-tail (Zipfian) distribution. We introduce the Effective Frontier ($k_\star$), a threshold in the pattern rank space that separates learned knowledge from the unlearned tail. We prove that reducible loss is asymptotically determined by the probability mass of the tail a resource-dependent frontier truncation. Based on our framework, we derive the precise scaling laws for $N$, $D$, and $C$, attributing them to capacity, coverage, and optimization bottlenecks, respectively. Furthermore, we unify these mechanisms via a Max-Bottleneck principle, demonstrating that the Kaplan and Chinchilla scaling laws are not contradictory, but equilibrium solutions to the same constrained optimization problem under different active bottlenecks.
Authors: Arturo Tozzi
Abstract: High dimensional representation drift is commonly quantified using Euclidean or cosine distances, which presuppose fixed coordinates when comparing representations across time, training or preprocessing stages. While effective in many settings, these measures entangle intrinsic changes in the data with variations induced by arbitrary parametrizations. We introduce a projective geometric view of representation drift grounded in the Fubini Study metric, which identifies representations that differ only by gauge transformations such as global rescalings or sign flips. Applying this framework to empirical high dimensional datasets, we explicitly construct representation trajectories and track their evolution through cumulative geometric drift. Comparing Euclidean, cosine and Fubini Study distances along these trajectories reveals that conventional metrics systematically overestimate change whenever representations carry genuine projective ambiguity. By contrast, the Fubini Study metric isolates intrinsic evolution by remaining invariant under gauge-induced fluctuations. We further show that the difference between cosine and Fubini Study drift defines a computable, monotone quantity that directly captures representation churn attributable to gauge freedom. This separation provides a diagnostic for distinguishing meaningful structural evolution from parametrization artifacts, without introducing model-specific assumptions. Overall, we establish a geometric criterion for assessing representation stability in high-dimensional systems and clarify the limits of angular distances. Embedding representation dynamics in projective space connects data analysis with established geometric programs and yields observables that are directly testable in empirical workflows.
Authors: Hongyuan Su, Yu Zheng, Yong Li
Abstract: Large language models are transforming systems research by automating the discovery of performance-critical algorithms for computer systems. Despite plausible codes generated by LLMs, producing solutions that meet the stringent correctness and performance requirements of systems demands iterative optimization. Test-time reinforcement learning offers high search efficiency but requires parameter updates infeasible under API-only access, while existing training-free evolutionary methods suffer from inefficient context utilization and undirected search. We introduce ContextEvolve, a multi-agent framework that achieves RL-level search efficiency under strict parameter-blind constraints by decomposing optimization context into three orthogonal dimensions: a Summarizer Agent condenses semantic state via code-to-language abstraction, a Navigator Agent distills optimization direction from trajectory analysis, and a Sampler Agent curates experience distribution through prioritized exemplar retrieval. This orchestration forms a functional isomorphism with RL-mapping to state representation, policy gradient, and experience replay-enabling principled optimization in a textual latent space. On the ADRS benchmark, ContextEvolve outperforms state-of-the-art baselines by 33.3% while reducing token consumption by 29.0%. Codes for our work are released at https://anonymous.4open.science/r/ContextEvolve-ACC
Authors: Jihao Xin, Tian Lvu, Hatem Ltaief, David Keyes, Marco Canini
Abstract: Long-context inference in large language models is increasingly bottlenecked by the memory and compute cost of the KV-Cache. Low-rank factorization compresses KV projections by writing $W \approx A * B$, where A produces latent KV states and B can be absorbed into downstream weights. In modern RoPE-based LLMs, this absorption fails: RoPE forces latent KV states to be reconstructed to full dimension, reintroducing substantial memory and compute overhead. We propose RoPE-Aligned Pruning (RAP), which prunes entire RoPE-aligned column pairs to preserve RoPE's 2x2 rotation structure, restore B absorption, and eliminate reconstruction. Our evaluation on LLaMA-3-8B and Mistral-7B shows that RAP enables joint reduction of KV-Cache, attention parameters, and FLOPs by 20-30%, all at once, while maintaining strong accuracy. Notably, RAP reduces attention latency to 83% (prefill) and 77% (decode) of baseline.
Authors: Eliron Rahimi, Elad Hirshel, Rom Himelstein, Amit LeVi, Avi Mendelson, Chaim Baskin
Abstract: Diffusion language models (DLMs) have recently emerged as a promising alternative to autoregressive (AR) models, offering parallel decoding and controllable sampling dynamics while achieving competitive generation quality at scale. Despite this progress, the role of sampling mechanisms in shaping refusal behavior and jailbreak robustness remains poorly understood. In this work, we present a fundamental analytical framework for step-wise refusal dynamics, enabling comparison between AR and diffusion sampling. Our analysis reveals that the sampling strategy itself plays a central role in safety behavior, as a factor distinct from the underlying learned representations. Motivated by this analysis, we introduce the Step-Wise Refusal Internal Dynamics (SRI) signal, which supports interpretability and improved safety for both AR and DLMs. We demonstrate that the geometric structure of SRI captures internal recovery dynamics, and identifies anomalous behavior in harmful generations as cases of \emph{incomplete internal recovery} that are not observable at the text level. This structure enables lightweight inference-time detectors that generalize to unseen attacks while matching or outperforming existing defenses with over $100\times$ lower inference overhead.
Authors: David Vigouroux (ANITI, IMT Atlantique), Lucas Drumetz (IMT Atlantique - MEE, Lab-STICC\_OSE, ODYSSEY), Ronan Fablet (IMT Atlantique - MEE, Lab-STICC\_OSE, ODYSSEY), Fran\c{c}ois Rousseau (IMT Atlantique - ITI, LaTIM)
Abstract: We introduce an unsupervised approach for constructing a global reference system by learning, in the ambient space, vector fields that span the tangent spaces of an unknown data manifold. In contrast to isometric objectives, which implicitly assume manifold flatness, our method learns tangent vector fields whose flows transport all samples to a common, learnable reference point. The resulting arc-lengths along these flows define interpretable intrinsic coordinates tied to a shared global frame. To prevent degenerate collapse, we enforce a non-shrinking constraint and derive a scalable, integration-free objective inspired by flow matching. Within our theoretical framework, we prove that minimizing the proposed objective recovers a global coordinate chart when one exists. Empirically, we obtain correct tangent alignment and coherent global coordinate structure on synthetic manifolds. We also demonstrate the scalability of our method on CIFAR-10, where the learned coordinates achieve competitive downstream classification performance.
Authors: Fatemeh Karimi Nejadasl, Judy Shamoun-Baranes, Eldar Rakhimberdiev
Abstract: Learning behavioral taxonomies from animal-borne sensors is challenging because labels are scarce, classes are highly imbalanced, and behaviors may be absent from the annotated set. We study generalized behavior discovery in short multivariate motion snippets from gulls, where each sample is a sequence with 3-axis IMU acceleration (20 Hz) and GPS speed, spanning nine expert-annotated behavior categories. We propose a semi-supervised discovery pipeline that (i) learns an embedding function from the labeled subset, (ii) performs label-guided clustering over embeddings of both labeled and unlabeled samples to form candidate behavior groups, and (iii) decides whether a discovered group is truly novel using a containment score. Our key contribution is a KDE + HDR (highest-density region) containment score that measures how much a discovered cluster distribution is contained within, or contains, each known-class distribution; the best-match containment score serves as an interpretable novelty statistic. In experiments where an entire behavior is withheld from supervision and appears only in the unlabeled pool, the method recovers a distinct cluster and the containment score flags novelty via low overlap, while a negative-control setting with no novel behavior yields consistently higher overlaps. These results suggest that HDR-based containment provides a practical, quantitative test for generalized class discovery in ecological motion time series under limited annotation and severe class imbalance.
Authors: Mohan Jiang, Dayuan Fu, Junhao Shi, Ji Zeng, Weiye Si, Keyu Li, Xuefeng Li, Yang Xiao, Wenjie Li, Dequan Wang, Pengfei Liu
Abstract: While Large Language Models (LLMs) excel at short-term tasks, scaling them to long-horizon agentic workflows remains challenging. The core bottleneck lies in the scarcity of training data that captures authentic long-dependency structures and cross-stage evolutionary dynamics--existing synthesis methods either confine to single-feature scenarios constrained by model distribution, or incur prohibitive human annotation costs, failing to provide scalable, high-quality supervision. We address this by reconceptualizing data synthesis through the lens of real-world software evolution. Our key insight: Pull Request (PR) sequences naturally embody the supervision signals for long-horizon learning. They decompose complex objectives into verifiable submission units, maintain functional coherence across iterations, and encode authentic refinement patterns through bug-fix histories. Building on this, we propose daVinci-Agency, which systematically mines structured supervision from chain-of-PRs through three interlocking mechanisms: (1) progressive task decomposition via continuous commits, (2) long-term consistency enforcement through unified functional objectives, and (3) verifiable refinement from authentic bug-fix trajectories. Unlike synthetic trajectories that treat each step independently, daVinci-Agency's PR-grounded structure inherently preserves the causal dependencies and iterative refinements essential for teaching persistent goal-directed behavior and enables natural alignment with project-level, full-cycle task modeling. The resulting trajectories are substantial--averaging 85k tokens and 116 tool calls--yet remarkably data-efficient: fine-tuning GLM-4.6 on 239 daVinci-Agency samples yields broad improvements across benchmarks, notably achieving a 47% relative gain on Toolathlon. Beyond benchmark performance, our analysis confirms...
Authors: Gabriele D'Acunto, Paolo Di Lorenzo, Sergio Barbarossa
Abstract: Causal artificial intelligence aims to enhance explainability, trustworthiness, and robustness in AI by leveraging structural causal models (SCMs). In this pursuit, recent advances formalize network sheaves and cosheaves of causal knowledge. Pushing in the same direction, we tackle the learning of consistent causal abstraction network (CAN), a sheaf-theoretic framework where (i) SCMs are Gaussian, (ii) restriction maps are transposes of constructive linear causal abstractions (CAs) adhering to the semantic embedding principle, and (iii) edge stalks correspond--up to permutation--to the node stalks of more detailed SCMs. Our problem formulation separates into edge-specific local Riemannian problems and avoids nonconvex objectives. We propose an efficient search procedure, solving the local problems with SPECTRAL, our iterative method with closed-form updates and suitable for positive definite and semidefinite covariance matrices. Experiments on synthetic data show competitive performance in the CA learning task, and successful recovery of diverse CAN structures.
Authors: Alessandro De Palma
Abstract: Adversarial training attains strong empirical robustness to specific adversarial attacks by training on concrete adversarial perturbations, but it produces neural networks that are not amenable to strong robustness certificates through neural network verification. On the other hand, earlier certified training schemes directly train on bounds from network relaxations to obtain models that are certifiably robust, but display sub-par standard performance. Recent work has shown that state-of-the-art trade-offs between certified robustness and standard performance can be obtained through a family of losses combining adversarial outputs and neural network bounds. Nevertheless, differently from empirical robustness, verifiability still comes at a significant cost in standard performance. In this work, we propose to leverage empirically-robust teachers to improve the performance of certifiably-robust models through knowledge distillation. Using a versatile feature-space distillation objective, we show that distillation from adversarially-trained teachers consistently improves on the state-of-the-art in certified training for ReLU networks across a series of robust computer vision benchmarks.
Authors: Praveen Rao
Abstract: Large language models (LLMs) require enormous computing power to pretrain on massive datasets. When limited datasets are available, smaller-sized LLMs are better choice to pretrain (on user-specified datasets) by following the scaling laws of LLMs. Using pretrained models, vector embeddings can be generated for raw data and stored using vector databases to support modern AI applications and semantic search. In this work, we investigate the performance of pretraining techniques for smaller-sized LLMs on an experimental testbed (with commodity GPUs) available to academic users at no charge. We consider data parallelism, intra-operator parallelism, and inter-operator/pipeline parallelism, and their combinations for pretraining. We set up different GPU clusters with homogeneous and heterogeneous GPU hardware. Furthermore, we investigate the impact of network latency on pretraining performance especially when GPUs are geographically distributed. We used GPT-2 medium and large models and pretrained them using open-source packages, namely, Alpa and Ray. We observed that Alpa's execution plans that collectively optimized intra-operator and inter-operator/pipeline parallelism consistently performed the best when GPUs were geographically distributed. This was especially true when the network latencies were in 10's of milliseconds. Based on the insights gained from the experiments, we propose a systematic approach for selecting the appropriate pretraining technique to achieve high training performance/lower execution time as well as to reduce the number of GPUs used.
Authors: Alexander Ryabchenko, Idan Attias, Daniel M. Roy
Abstract: We develop a reduction-based framework for online learning with delayed feedback that recovers and improves upon existing results for both first-order and bandit convex optimization. Our approach introduces a continuous-time model under which regret decomposes into a delay-independent learning term and a delay-induced drift term, yielding a delay-adaptive reduction that converts any algorithm for online linear optimization into one that handles round-dependent delays. For bandit convex optimization, we significantly improve existing regret bounds, with delay-dependent terms matching state-of-the-art first-order rates. For first-order feedback, we recover state-of-the-art regret bounds via a simpler, unified analysis. Quantitatively, for bandit convex optimization we obtain $O(\sqrt{d_{\text{tot}}} + T^{\frac{3}{4}}\sqrt{k})$ regret, improving the delay-dependent term from $O(\min\{\sqrt{T d_{\text{max}}},(Td_{\text{tot}})^{\frac{1}{3}}\})$ in previous work to $O(\sqrt{d_{\text{tot}}})$. Here, $k$, $T$, $d_{\text{max}}$, and $d_{\text{tot}}$ denote the dimension, time horizon, maximum delay, and total delay, respectively. Under strong convexity, we achieve $O(\min\{\sigma_{\text{max}} \ln T, \sqrt{d_{\text{tot}}}\} + (T^2\ln T)^{\frac{1}{3}} {k}^{\frac{2}{3}})$, improving the delay-dependent term from $O(d_{\text{max}} \ln T)$ in previous work to $O(\min\{\sigma_{\text{max}} \ln T, \sqrt{d_{\text{tot}}}\})$, where $\sigma_{\text{max}}$ denotes the maximum number of outstanding observations and may be considerably smaller than $d_{\text{max}}$.
Authors: Md Ishtyaq Mahmud, Veena Kochat, Suresh Satpati, Jagan Mohan Reddy Dwarampudi, Humaira Anzum, Kunal Rai, Tania Banerjee
Abstract: High-resolution spatial transcriptomics platforms, such as Xenium, generate single-cell images that capture both molecular and spatial context, but their extremely high dimensionality poses major challenges for representation learning and clustering. In this study, we analyze data from the Xenium platform, which captures high-resolution images of tumor microarray (TMA) tissues and converts them into cell-by-gene matrices suitable for computational analysis. We benchmark and extend nonnegative matrix factorization (NMF) for spatial transcriptomics by introducing two spatially regularized variants. First, we propose Spatial NMF (SNMF), a lightweight baseline that enforces local spatial smoothness by diffusing each cell's NMF factor vector over its spatial neighborhood. Second, we introduce Hybrid Spatial NMF (hSNMF), which performs spatially regularized NMF followed by Leiden clustering on a hybrid adjacency that integrates spatial proximity (via a contact-radius graph) and transcriptomic similarity through a tunable mixing parameter alpha. Evaluated on a cholangiocarcinoma dataset, SNMF and hSNMF achieve markedly improved spatial compactness (CHAOS < 0.004, Moran's I > 0.96), greater cluster separability (Silhouette > 0.12, DBI < 1.8), and higher biological coherence (CMC and enrichment) compared to other spatial baselines. Availability and implementation: https://github.com/ishtyaqmahmud/hSNMF
Authors: Francesco Leonardi, Boris Bonev, Kaspar Riesen
Abstract: Machine learning force fields (MLFFs) have become essential for accurate and efficient atomistic modeling. Despite their high accuracy, most existing approaches rely on fixed angular expansions, limiting flexibility in weighting local geometric interactions. We introduce Modular Angular-Radial Attention (MARA), a module that extends spherical attention -- originally developed for SO(3) tasks -- to the molecular domain and SE(3), providing an efficient approximation of equivariant interactions. MARA operates directly on the angular and radial coordinates of neighboring atoms, enabling flexible, geometrically informed, and modular weighting of local environments. Unlike existing attention mechanisms in SE(3)-equivariant architectures, MARA can be integrated in a plug-and-play manner into models such as MACE without architectural modifications. Across molecular benchmarks, MARA improves energy and force predictions, reduces high-error events, and enhances robustness. These results demonstrate that continuous spherical attention is an effective and generalizable geometric operator that increases the expressiveness, stability, and reliability of atomistic models.
Authors: Riccardo Zaccone, Stefanos Laskaridis, Marco Ciccone, Samuel Horv\'ath
Abstract: The growing scale of deep neural networks, encompassing large language models (LLMs) and vision transformers (ViTs), has made training from scratch prohibitively expensive and deployment increasingly costly. These models are often used as computational monoliths with fixed cost, a rigidity that does not leverage overparametrized architectures and largely hinders adaptive deployment across different cost budgets. We argue that importance-ordered nested components can be extracted from pretrained models, and selectively activated on the available computational budget. To this end, our proposed FlexRank method leverages low-rank weight decomposition with nested, importance-based consolidation to extract submodels of increasing capabilities. Our approach enables a "train-once, deploy-everywhere" paradigm that offers a graceful trade-off between cost and performance without training from scratch for each budget - advancing practical deployment of large models.
Authors: Marcos Villagra, Bidhan Roy, Raihan Seraj, Zhiying Jiang
Abstract: Decentralized Diffusion Models (DDMs) route denoising through experts trained independently on disjoint data clusters, which can strongly disagree in their predictions. What governs the quality of generations in such systems? We present the first ever systematic investigation of this question. A priori, the expectation is that minimizing denoising trajectory sensitivity -- minimizing how perturbations amplify during sampling -- should govern generation quality. We demonstrate this hypothesis is incorrect: a stability-quality dissociation. Full ensemble routing, which combines all expert predictions at each step, achieves the most stable sampling dynamics and best numerical convergence while producing the worst generation quality (FID 47.9 vs. 22.6 for sparse Top-2 routing). Instead, we identify expert-data alignment as the governing principle: generation quality depends on routing inputs to experts whose training distribution covers the current denoising state. Across two distinct DDM systems, we validate expert-data alignment using (i) data-cluster distance analysis, confirming sparse routing selects experts with data clusters closest to the current denoising state, and (ii) per-expert analysis, showing selected experts produce more accurate predictions than non-selected ones, and (iii) expert disagreement analysis, showing quality degrades when experts disagree. For DDM deployment, our findings establish that routing should prioritize expert-data alignment over numerical stability metrics.
Authors: Wenshuai Zhao, Zhiyuan Li, Yi Zhao, Mohammad Hassan Vali, Martin Trapp, Joni Pajarinen, Juho Kannala, Arno Solin
Abstract: Diffusion models have shown remarkable success across a wide range of generative tasks. However, they often suffer from spatially inconsistent generation, arguably due to the inherent locality of their denoising mechanisms. This can yield samples that are locally plausible but globally inconsistent. To mitigate this issue, we propose sparsely supervised learning for diffusion models, a simple yet effective masking strategy that can be implemented with only a few lines of code. Interestingly, the experiments show that it is safe to mask up to 98\% of pixels during diffusion model training. Our method delivers competitive FID scores across experiments and, most importantly, avoids training instability on small datasets. Moreover, the masking strategy reduces memorization and promotes the use of essential contextual information during generation.
Authors: Sayak Chakrabarti, Toniann Pitassi, Josh Alman
Abstract: Quantization reduces the numerical precision of Transformer computations and is widely used to accelerate inference, yet its effect on expressivity remains poorly characterized. We demonstrate a fine-grained theoretical tradeoff between expressivity and precision: For every p we exhibit a function {\Gamma}, inspired by the equality function, and prove that a one-layer softmax Transformer can compute {\Gamma}, with p bits of precision, but not with p-1 bits of precision. This result concretely explains the widely observed phenomenon of empirical loss of expressivity when quantization is used. Practically, it suggests that tasks requiring equality-like comparisons (exact match, membership, etc.) are especially sensitive to quantization. Dropping even one bit can cross a threshold where the model cannot represent the needed comparison reliably. Thus, it paves the way for developing heuristics that will help practitioners choose how much quantization is possible: the precision should be chosen as a function of the length of equality to be checked for the specific task. Our proofs combine explicit finite-precision Transformer constructions with communication-complexity lower bounds, yielding a tight "one-bit" threshold.
Authors: Punya Syon Pandey, Zhijing Jin
Abstract: Supervised fine-tuning (SFT) is the standard approach for binary classification tasks such as toxicity detection, factuality verification, and causal inference. However, SFT often performs poorly in real-world settings with label noise, class imbalance, or sparse supervision. We introduce BinaryPPO, an offline reinforcement learning large language model (LLM) framework that reformulates binary classification as a reward maximization problem. Our method leverages a variant of Proximal Policy Optimization (PPO) with a confidence-weighted reward function that penalizes uncertain or incorrect predictions, enabling the model to learn robust decision policies from static datasets without online interaction. Across eight domain-specific benchmarks and multiple models with differing architectures, BinaryPPO improves accuracy by 40-60 percentage points, reaching up to 99%, substantially outperforming supervised baselines. We provide an in-depth analysis of the role of reward shaping, advantage scaling, and policy stability in enabling this improvement. Overall, we demonstrate that confidence-based reward design provides a robust alternative to SFT for binary classification. Our code is available at https://github.com/psyonp/BinaryPPO.
Authors: Fahim Tajwar, Guanning Zeng, Yueer Zhou, Yuda Song, Daman Arora, Yiding Jiang, Jeff Schneider, Ruslan Salakhutdinov, Haiwen Feng, Andrea Zanette
Abstract: Reinforcement learning is the method of choice to train models in sampling-based setups with binary outcome feedback, such as navigation, code generation, and mathematical problem solving. In such settings, models implicitly induce a likelihood over correct rollouts. However, we observe that reinforcement learning does not maximize this likelihood, and instead optimizes only a lower-order approximation. Inspired by this observation, we introduce Maximum Likelihood Reinforcement Learning (MaxRL), a sampling-based framework to approximate maximum likelihood using reinforcement learning techniques. MaxRL addresses the challenges of non-differentiable sampling by defining a compute-indexed family of sample-based objectives that interpolate between standard reinforcement learning and exact maximum likelihood as additional sampling compute is allocated. The resulting objectives admit a simple, unbiased policy-gradient estimator and converge to maximum likelihood optimization in the infinite-compute limit. Empirically, we show that MaxRL Pareto-dominates existing methods in all models and tasks we tested, achieving up to 20x test-time scaling efficiency gains compared to its GRPO-trained counterpart. We also observe MaxRL to scale better with additional data and compute. Our results suggest MaxRL is a promising framework for scaling RL training in correctness based settings.
Authors: Magamed Taimeskhanov, Samuel Vaiter, Damien Garreau
Abstract: A popular approach to post-training control of large language models (LLMs) is the steering of intermediate latent representations. Namely, identify a well-chosen direction depending on the task at hand and perturbs representations along this direction at inference time. While many propositions exist to pick this direction, considerably less is understood about how to choose the magnitude of the move, whereas its importance is clear: too little and the intended behavior does not emerge, too much and the model's performance degrades beyond repair. In this work, we propose the first theoretical analysis of steering strength. We characterize its effect on next token probability, presence of a concept, and cross-entropy, deriving precise qualitative laws governing these quantities. Our analysis reveals surprising behaviors, including non-monotonic effects of steering strength. We validate our theoretical predictions empirically on eleven language models, ranging from a small GPT architecture to modern models.
Authors: Mohammad Taha Askari, Lutz Lampe, Amirhossein Ghazisaeidi
Abstract: We introduce neural probabilistic amplitude shaping, a joint-distribution learning framework for coherent fiber systems. The proposed scheme provides a 0.5 dB signal-to-noise ratio gain over sequence selection for dual-polarized 64-QAM transmission across a single-span 205 km link.
Authors: Dan Haramati, Carl Qi, Tal Daniel, Amy Zhang, Aviv Tamar, George Konidaris
Abstract: We propose a hierarchical entity-centric framework for offline Goal-Conditioned Reinforcement Learning (GCRL) that combines subgoal decomposition with factored structure to solve long-horizon tasks in domains with multiple entities. Achieving long-horizon goals in complex environments remains a core challenge in Reinforcement Learning (RL). Domains with multiple entities are particularly difficult due to their combinatorial complexity. GCRL facilitates generalization across goals and the use of subgoal structure, but struggles with high-dimensional observations and combinatorial state-spaces, especially under sparse reward. We employ a two-level hierarchy composed of a value-based GCRL agent and a factored subgoal-generating conditional diffusion model. The RL agent and subgoal generator are trained independently and composed post hoc through selective subgoal generation based on the value function, making the approach modular and compatible with existing GCRL algorithms. We introduce new variations to benchmark tasks that highlight the challenges of multi-entity domains, and show that our method consistently boosts performance of the underlying RL agent on image-based long-horizon tasks with sparse rewards, achieving over 150% higher success rates on the hardest task in our suite and generalizing to increasing horizons and numbers of entities. Rollout videos are provided at: https://sites.google.com/view/hecrl
Authors: Jade Chng, Rong Xing, Yunfei Luo, Kristen Linnemeyer-Risser, Tauhidur Rahman, Andrew Yousef, Philip A Weissbrod
Abstract: Pharyngeal health plays a vital role in essential human functions such as breathing, swallowing, and vocalization. Early detection of swallowing abnormalities, also known as dysphagia, is crucial for timely intervention. However, current diagnostic methods often rely on radiographic imaging or invasive procedures. In this study, we propose an automated framework for detecting dysphagia using portable and noninvasive acoustic sensing coupled with applied machine learning. By capturing subtle acoustic signals from the neck during swallowing tasks, we aim to identify patterns associated with abnormal physiological conditions. Our approach achieves promising test-time abnormality detection performance, with an AUC-ROC of 0.904 under 5 independent train-test splits. This work demonstrates the feasibility of using noninvasive acoustic sensing as a practical and scalable tool for pharyngeal health monitoring.
Authors: Xuemin Yu, Ankur Garg, Samira Ebrahimi Kahou, Hassan Sajjad
Abstract: Deep Learning models encode rich semantic information in their hidden representations. However, it remains challenging to understand which parts of this information models actually rely on when making predictions. A promising line of post-hoc concept-based explanation methods relies on clustering token representations. However, commonly used approaches such as hierarchical clustering are computationally infeasible for large-scale datasets, and K-Means often yields shallow or frequency-dominated clusters. We propose the vector quantized latent concept (VQLC) method, a framework built upon the vector quantized-variational autoencoder (VQ-VAE) architecture that learns a discrete codebook mapping continuous representations to concept vectors. We perform thorough evaluations and show that VQLC improves scalability while maintaining comparable quality of human-understandable explanations.
Authors: Huu Binh Ta (University of Virginia), Michael Cardei (University of Virginia), Alvaro Velasquez (University of Colorado at Boulder), Ferdinando Fioretto (University of Virginia)
Abstract: Discrete diffusion models generate sequences by iteratively denoising samples corrupted by categorical noise, offering an appealing alternative to autoregressive decoding for structured and symbolic generation. However, standard training targets a likelihood-based objective that primarily matches the data distribution and provides no native mechanism for enforcing hard constraints or optimizing non-differentiable properties at inference time. This work addresses this limitation and introduces Search-Augmented Masked Diffusion (SearchDiff), a training-free neurosymbolic inference framework that integrates informed search directly into the reverse denoising process. At each denoising step, the model predictions define a proposal set that is optimized under a user-specified property satisfaction, yielding a modified reverse transition that steers sampling toward probable and feasible solutions. Experiments in biological design and symbolic reasoning illustrate that SearchDiff substantially improves constraint satisfaction and property adherence, while consistently outperforming discrete diffusion and autoregressive baselines.
Authors: Viresh Pati, Yubin Kim, Vinh Pham, Jevon Twitty, Shihao Yang, Jiecheng Lu
Abstract: This paper presents $\textbf{CAPS}$ (Clock-weighted Aggregation with Prefix-products and Softmax), a structured attention mechanism for time series forecasting that decouples three distinct temporal structures: global trends, local shocks, and seasonal patterns. Standard softmax attention entangles these through global normalization, while recent recurrent models sacrifice long-term, order-independent selection for order-dependent causal structure. CAPS combines SO(2) rotations for phase alignment with three additive gating paths -- Riemann softmax, prefix-product gates, and a Clock baseline -- within a single attention layer. We introduce the Clock mechanism, a learned temporal weighting that modulates these paths through a shared notion of temporal importance. Experiments on long- and short-term forecasting benchmarks surpass vanilla softmax and linear attention mechanisms and demonstrate competitive performance against seven strong baselines with linear complexity. Our code implementation is available at https://github.com/vireshpati/CAPS-Attention.
Authors: Ke Wang, Yifan Tang, Nguyen Gia Hien Vu, Faez Ahmed, G. Gary Wang
Abstract: Deep generative models for engineering design often require substantial computational cost, large training datasets, and extensive retraining when design requirements or datasets change, limiting their applicability in real-world engineering design workflow. In this work, we propose a zero-shot generation framework for parametric engineering design based on TabPFN, enabling conditional design generation using only a limited number of reference samples and without any task-specific model training or fine-tuning. The proposed method generates design parameters sequentially conditioned on target performance indicators, providing a flexible alternative to conventional generative models. The effectiveness of the proposed approach is evaluated on three engineering design datasets, i.e., ship hull design, BlendedNet aircraft, and UIUC airfoil. Experimental results demonstrate that the proposed method achieves competitive diversity across highly structured parametric design spaces, remains robust to variations in sampling, resolution and parameter dimensionality of geometry generation, and achieves a low performance error (e.g., less than 2% in generated ship hull designs' performance). Compared with diffusion-based generative models, the proposed framework significantly reduces computational overhead and data requirements while preserving reliable generation performance. These results highlight the potential of zero-shot, data-efficient generation as a practical and efficient tool for engineering design, enabling rapid deployment, flexible adaptation to new design settings, and ease of integration into real-world engineering workflows.
Authors: Arjun Roy, Prajna G. Malettira, Manish Nagaraj, Kaushik Roy
Abstract: Geometric data pruning methods, while practical for leveraging pretrained models, are fundamentally unstable. Their reliance on extrinsic geometry renders them highly sensitive to latent space perturbations, causing performance to degrade during cross-architecture transfer or in the presence of feature noise. We introduce TopoPrune, a framework which resolves this challenge by leveraging topology to capture the stable, intrinsic structure of data. TopoPrune operates at two scales, (1) utilizing a topology-aware manifold approximation to establish a global low-dimensional embedding of the dataset. Subsequently, (2) it employs differentiable persistent homology to perform a local topological optimization on the manifold embeddings, ranking samples by their structural complexity. We demonstrate that our unified dual-scale topological approach ensures high accuracy and precision, particularly at significant dataset pruning rates (e.g., 90%). Furthermore, through the inherent stability properties of topology, TopoPrune is (a) exceptionally robust to noise perturbations of latent feature embeddings and (b) demonstrates superior transferability across diverse network architectures. This study demonstrates a promising avenue towards stable and principled topology-based frameworks for robust data-efficient learning.
Authors: Zihao Jing, Qiuhao Zeng, Ruiyi Fang, Yan Sun, Boyu Wang, Pingzhao Hu
Abstract: Molecular understanding is central to advancing areas such as scientific discovery, yet Large Language Models (LLMs) struggle to understand molecular graphs effectively. Existing graph-LLM bridges often adapt the Q-Former-style connector with fixed-length static tokens, which is originally designed for vision tasks. These designs overlook stereochemistry and substructural context and typically require costly LLM-backbone fine-tuning, limiting efficiency and generalization. We introduce EDT-Former, an Entropy-guided Dynamic Token Transformer that generates tokens aligned with informative molecular patches, thereby preserving both local and global structural features for molecular graph understanding. Beyond prior approaches, EDT-Former enables alignment between frozen graph encoders and LLMs without tuning the LLM backbone (excluding the embedding layer), resulting in computationally efficient finetuning, and achieves stateof-the-art results on MoleculeQA, Molecule-oriented Mol-Instructions, and property prediction benchmarks (TDC, MoleculeNet), underscoring its effectiveness for scalable and generalizable multimodal molecular understanding
Authors: Sacha Morin, Moonsub Byeon, Alexia Jolicoeur-Martineau, S\'ebastien Lachapelle
Abstract: Semi-supervised imitation learning (SSIL) consists in learning a policy from a small dataset of action-labeled trajectories and a much larger dataset of action-free trajectories. Some SSIL methods learn an inverse dynamics model (IDM) to predict the action from the current state and the next state. An IDM can act as a policy when paired with a video model (VM-IDM) or as a label generator to perform behavior cloning on action-free data (IDM labeling). In this work, we first show that VM-IDM and IDM labeling learn the same policy in a limit case, which we call the IDM-based policy. We then argue that the previously observed advantage of IDM-based policies over behavior cloning is due to the superior sample efficiency of IDM learning, which we attribute to two causes: (i) the ground-truth IDM tends to be contained in a lower complexity hypothesis class relative to the expert policy, and (ii) the ground-truth IDM is often less stochastic than the expert policy. We argue these claims based on insights from statistical learning theory and novel experiments, including a study of IDM-based policies using recent architectures for unified video-action prediction (UVA). Motivated by these insights, we finally propose an improved version of the existing LAPO algorithm for latent action policy learning.
Authors: Bohan Wang, Zewen Liu, Lu Lin, Hui Liu, Li Xiong, Ming Jin, Wei Jin
Abstract: Interpretable time series deep learning systems are often assessed by checking temporal consistency on explanations, implicitly treating this as evidence of robustness. We show that this assumption can fail: Predictions and explanations can be adversarially decoupled, enabling targeted misclassification while the explanation remains plausible and consistent with a chosen reference rationale. We propose TSEF (Time Series Explanation Fooler), a dual-target attack that jointly manipulates the classifier and explainer outputs. In contrast to single-objective misclassification attacks that disrupt explanation and spread attribution mass broadly, TSEF achieves targeted prediction changes while keeping explanations consistent with the reference. Across multiple datasets and explainer backbones, our results consistently reveal that explanation stability is a misleading proxy for decision robustness and motivate coupling-aware robustness evaluations for trustworthy time series tasks.
Authors: Lucas Rosenblatt, Peihan Liu, Ryan McKenna, Natalia Ponomareva
Abstract: Research on differentially private synthetic tabular data has largely focused on independent and identically distributed rows where each record corresponds to a unique individual. This perspective neglects the temporal complexity in longitudinal datasets, such as electronic health records, where a user contributes an entire (sub) table of sequential events. While practitioners might attempt to model such data by flattening user histories into high-dimensional vectors for use with standard marginal-based mechanisms, we demonstrate that this strategy is insufficient. Flattening fails to preserve temporal coherence even when it maintains valid marginal distributions. We introduce PATH, a novel generative framework that treats the full table as the unit of synthesis and leverages the autoregressive capabilities of privately fine-tuned large language models. Extensive evaluations show that PATH effectively captures long-range dependencies that traditional methods miss. Empirically, our method reduces the distributional distance to real trajectories by over 60% and reduces state transition errors by nearly 50% compared to leading marginal mechanisms while achieving similar marginal fidelity.
Authors: Meng Ding, Jinhui Xu, Kaiyi Ji
Abstract: Continual learning (CL) aims to train models on a sequence of tasks while retaining performance on previously learned ones. A core challenge in this setting is catastrophic forgetting, where new learning interferes with past knowledge. Among various mitigation strategies, data-replay methods, where past samples are periodically revisited, are considered simple yet effective, especially when memory constraints are relaxed. However, the theoretical effectiveness of full data replay, where all past data is accessible during training, remains largely unexplored. In this paper, we present a comprehensive theoretical framework for analyzing full data-replay training in continual learning from a feature learning perspective. Adopting a multi-view data model, we identify the signal-to-noise ratio (SNR) as a critical factor affecting forgetting. Focusing on task-incremental binary classification across $M$ tasks, our analysis verifies two key conclusions: (1) forgetting can still occur under full replay when the cumulative noise from later tasks dominates the signal from earlier ones; and (2) with sufficient signal accumulation, data replay can recover earlier tasks-even if their initial learning was poor. Notably, we uncover a novel insight into task ordering: prioritizing higher-signal tasks not only facilitates learning of lower-signal tasks but also helps prevent catastrophic forgetting. We validate our theoretical findings through synthetic and real-world experiments that visualize the interplay between signal learning and noise memorization across varying SNRs and task correlation regimes.
Authors: Saurav Raj Pandey, Harlin Lee
Abstract: We present BiTimeCrossNet (BTCNet), a multimodal self-supervised learning framework for long physiological recordings such as overnight sleep studies. While many existing approaches train on short segments treated as independent samples, BTCNet incorporates information about when each segment occurs within its parent recording, for example within a sleep session. BTCNet further learns pairwise interactions between physiological signals via cross-attention, without requiring task labels or sequence-level supervision. We evaluate BTCNet on pediatric sleep data across six downstream tasks, including sleep staging, arousal detection, and respiratory event detection. Under frozen-backbone linear probing, BTCNet consistently outperforms an otherwise identical non-time-aware variant, with gains that generalize to an independent pediatric dataset. Compared to existing multimodal self-supervised sleep models, BTCNet achieves strong performance, particularly on respiration-related tasks.
Authors: Scagnetto Arjuna
Abstract: This work studies electrocardiogram (ECG) biometrics at large scale, evaluating how strongly an ECG can be linked to an individual and, consequently, how its anonymization may be compromised. We show that identity information is already present in tabular representations (fiducial features): even a simple MLP-based embedding network yields non-trivial performance, indicating that anonymization based solely on releasing features does not guarantee privacy. We then adopt embedding-based deep learning models (ArcFace), first on features and then on ECG waveforms, showing a performance jump when moving from tabular inputs to waveforms, and a further gain with larger training sets and consistent normalization across train/val/test. On a large-scale test set, verification achieves high TAR at strict FAR thresholds (TAR=0.908 @ FAR=1e-3; TAR=0.820 @ FAR=1e-4) with EER=2.53% (all-vs-all); closed-set identification yields Rank@1=0.812 and Rank@10=0.910. In open-set, a two-stage pipeline (top-K shortlist on embeddings + re-ranking) reaches DIR@FAR up to 0.976 at FAR=1e-3 and 1e-4. Overall, the results show that ECG carries a measurable individual signature: re-identification is already possible with tabular features and is further amplified by embedding-based models, making privacy implications and realistic operational protocols essential to consider.
Authors: Arian Khorasani, Th\'eophile Demazure
Abstract: We study multimodal affect modeling when EEG and peripheral physiology are asynchronous, which most fusion methods ignore or handle with costly warping. We propose Cross-Temporal Attention Fusion (CTAF), a self-supervised module that learns soft bidirectional alignments between modalities and builds a robust clip embedding using time-aware cross attention, a lightweight fusion gate, and alignment-regularized contrastive objectives with optional weak supervision. On the K-EmoCon dataset, under leave-one-out cross-validation evaluation, CTAF yields higher cosine margins for matched pairs and better cross-modal token retrieval within one second, and it is competitive with the baseline on three-bin accuracy and macro-F1 while using few labels. Our contributions are a time-aware fusion mechanism that directly models correspondence, an alignment-driven self-supervised objective tailored to EEG and physiology, and an evaluation protocol that measures alignment quality itself. Our approach accounts for the coupling between the central and autonomic nervous systems in psychophysiological time series. These results indicate that CTAF is a strong step toward label-efficient, generalizable EEG-peripheral fusion under temporal asynchrony.
Authors: Yu Qin, Phillip Sloan, Raul Santos-Rodriguez, Majid Mirmehdi, Telmo de Menezes e Silva Filho
Abstract: Multimodal models are ubiquitous, yet existing explainability methods are often single-modal, architecture-dependent, or too computationally expensive to run at scale. We introduce LEMON (Local Explanations via Modality-aware OptimizatioN), a model-agnostic framework for local explanations of multimodal predictions. LEMON fits a single modality-aware surrogate with group-structured sparsity to produce unified explanations that disentangle modality-level contributions and feature-level attributions. The approach treats the predictor as a black box and is computationally efficient, requiring relatively few forward passes while remaining faithful under repeated perturbations. We evaluate LEMON on vision-language question answering and a clinical prediction task with image, text, and tabular inputs, comparing against representative multimodal baselines. Across backbones, LEMON achieves competitive deletion-based faithfulness while reducing black-box evaluations by 35-67 times and runtime by 2-8 times compared to strong multimodal baselines.
Authors: Benjamin D. Shaffer, Shawn Koohy, Brooks Kinch, M. Ani Hsieh, Nathaniel Trask
Abstract: We aim to develop physics foundation models for science and engineering that provide real-time solutions to Partial Differential Equations (PDEs) which preserve structure and accuracy under adaptation to unseen geometries. To this end, we introduce General-Geometry Neural Whitney Forms (Geo-NeW): a data-driven finite element method. We jointly learn a differential operator and compatible reduced finite element spaces defined on the underlying geometry. The resulting model is solved to generate predictions, while exactly preserving physical conservation laws through Finite Element Exterior Calculus. Geometry enters the model as a discretized mesh both through a transformer-based encoding and as the basis for the learned finite element spaces. This explicitly connects the underlying geometry and imposed boundary conditions to the solution, providing a powerful inductive bias for learning neural PDEs, which we demonstrate improves generalization to unseen domains. We provide a novel parameterization of the constitutive model ensuring the existence and uniqueness of the solution. Our approach demonstrates state-of-the-art performance on several steady-state PDE benchmarks, and provides a significant improvement over conventional baselines on out-of-distribution geometries.
Authors: Reza Rezvan (Chalmers University of Technology), Gustav Gille (Chalmers University of Technology), Moritz Schauer (Chalmers University of Technology, University of Gothenburg), Richard Torkar (Chalmers University of Technology, University of Gothenburg)
Abstract: Flow matching learns a velocity field that transports a base distribution to data. We study how small latent perturbations propagate through these flows and show that Jacobian-vector products (JVPs) provide a practical lens on dependency structure in the generated features. We derive closed-form expressions for the optimal drift and its Jacobian in Gaussian and mixture-of-Gaussian settings, revealing that even globally nonlinear flows admit local affine structure. In low-dimensional synthetic benchmarks, numerical JVPs recover the analytical Jacobians. In image domains, composing the flow with an attribute classifier yields an attribute-level JVP estimator that recovers empirical correlations on MNIST and CelebA. Conditioning on small classifier-Jacobian norms reduces correlations in a way consistent with a hypothesized common-cause structure, while we emphasize that this conditioning is not a formal do intervention.
Authors: Wasu Top Piriyakulkij, Wolfgang Lehrach, Kevin Ellis, Kevin Murphy
Abstract: Building agents that can perform new skills by composing existing skills is a long-standing goal of AI agent research. Towards this end, we investigate how to efficiently acquire a sequence of skills, formalized as hierarchical neural options. However, existing model-free hierarchical reinforcement algorithms need a lot of data. We propose a novel method, which we call AgentOWL (Option and World model Learning Agent), that jointly learns -- in a sample efficient way -- an abstract world model (abstracting across both states and time) and a set of hierarchical neural options. We show, on a subset of Object-Centric Atari games, that our method can learn more skills using much less data than baseline methods.
Authors: Mathieu Even, Cl\'ement Berenfeld, Linus Bleistein, Tudor Cebere, Julie Josse, Aur\'elien Bellet
Abstract: Membership Inference Attacks (MIAs) are widely used to quantify training data memorization and assess privacy risks. Standard evaluation requires repeated retraining, which is computationally costly for large models. One-run methods (single training with randomized data inclusion) and zero-run methods (post hoc evaluation) are often used instead, though their statistical validity remains unclear. To address this gap, we frame MIA evaluation as a causal inference problem, defining memorization as the causal effect of including a data point in the training set. This novel formulation reveals and formalizes key sources of bias in existing protocols: one-run methods suffer from interference between jointly included points, while zero-run evaluations popular for LLMs are confounded by non-random membership assignment. We derive causal analogues of standard MIA metrics and propose practical estimators for multi-run, one-run, and zero-run regimes with non-asymptotic consistency guarantees. Experiments on real-world data show that our approach enables reliable memorization measurement even when retraining is impractical and under distribution shift, providing a principled foundation for privacy evaluation in modern AI systems.
Authors: Michael Ogezi, Martin Bell, Freda Shi, Ethan Smith
Abstract: For certain image generation tasks, vector graphics such as Scalable Vector Graphics (SVGs) offer clear benefits such as increased flexibility, size efficiency, and editing ease, but remain less explored than raster-based approaches. A core challenge is that the numerical, geometric parameters, which make up a large proportion of SVGs, are inefficiently encoded as long sequences of tokens. This slows training, reduces accuracy, and hurts generalization. To address these problems, we propose Continuous Number Modeling (CNM), an approach that directly models numbers as first-class, continuous values rather than discrete tokens. This formulation restores the mathematical elegance of the representation by aligning the model's inputs with the data's continuous nature, removing discretization artifacts introduced by token-based encoding. We then train a multimodal transformer on 2 million raster-to-SVG samples, followed by fine-tuning via reinforcement learning using perceptual feedback to further improve visual quality. Our approach improves training speed by over 30% while maintaining higher perceptual fidelity compared to alternative approaches. This work establishes CNM as a practical and efficient approach for high-quality vector generation, with potential for broader applications. We make our code available http://github.com/mikeogezi/CNM.
Authors: Yingchuan Zhang, Terry Ma, Wenxuan Zhong, Ping Ma
Abstract: Large language models (LLMs) achieve higher accuracy on challenging reasoning tasks by scaling test-time compute through multiple trajectory sampling. However, standard aggregation methods like majority voting or individual confidence-based filtering face a fundamental "blind spot": they evaluate each trace in isolation. As problems scale in difficulty, models often generate hallucinated paths that exhibit misleadingly high confidence, causing the true solution to be suppressed by a narrow margin in traditional voting. We ask: can we enable traces to "peer-review" each other to resolve these near-miss errors? We introduce Packet-Conditioned Revision (PACER), a training-free, inference-only framework that enables reasoning traces to revise their conclusions through a structured coordination step. After a preliminary screening of generated traces, PACER constructs a compact consensus packet containing (i) unique candidate answers, (ii) their aggregated confidence scores, and (iii) representative reasoning summaries for each candidate answer. Individual traces then perform a targeted self-review conditioned on this packet, allowing them to identify specific logical junctions where they diverged from the broader consensus and pivot if their original reasoning is found to be flawed. Final predictions are obtained via confidence-weighted voting over these revised trajectories. On challenging competitive math benchmarks such as AIME and BRUMO, PACER matches or exceeds the accuracy of 256-sample majority voting, significantly outperforming raw ensemble baselines by transforming simple consensus into a collaborative logical refinement process.
Authors: Sourajit Das, Dibyajyoti Chakraborthy, Romit Maulik
Abstract: Discovering causal structures from multivariate time series is a key problem because interactions span across multiple lags and possibly involve instantaneous dependencies. Additionally, the search space of the dynamic graphs is combinatorial in nature. In this study, we propose \textit{Stable Causal Dynamic Differentiable Discovery (SC3D)}, a two-stage differentiable framework that jointly learns lag-specific adjacency matrices and, if present, an instantaneous directed acyclic graph (DAG). In Stage 1, SC3D performs edge preselection through node-wise prediction to obtain masks for lagged and instantaneous edges, whereas Stage 2 refines these masks by optimizing a likelihood with sparsity along with enforcing acyclicity on the instantaneous block. Numerical results across synthetic and benchmark dynamical systems demonstrate that SC3D achieves improved stability and more accurate recovery of both lagged and instantaneous causal structures compared to existing temporal baselines.
Authors: Rares Grozavescu, Pengyu Zhang, Etienne Meunier, Mark Girolami
Abstract: Data-driven surrogate models have emerged as powerful tools for accelerating the simulation of turbulent flows. However, classical approaches which perform autoregressive rollouts often trade off between strong short-term accuracy and long-horizon stability. Koopman autoencoders, inspired by Koopman operator theory, provide a physics-based alternative by mapping nonlinear dynamics into a latent space where linear evolution is conducted. In practice, most existing formulations operate in a discrete-time setting, limiting temporal flexibility. In this work, we introduce a continuous-time Koopman framework that models latent evolution through numerical integration schemes. By allowing variable timesteps at inference, the method demonstrates robustness to temporal resolution and generalizes beyond training regimes. In addition, the learned dynamics closely adhere to the analytical matrix exponential solution, enabling efficient long-horizon forecasting. We evaluate the approach on classical CFD benchmarks and report accuracy, stability, and extrapolation properties.
Authors: Jonas Petersen, Camilla Mazzoleni, Riccardo Maggioni
Abstract: Transformers achieve remarkable performance across many domains, yet struggle with tasks requiring multi-hop relational reasoning over structured data. We analyze this limitation through circuit complexity: standard transformers are $\mathsf{TC}^0$-complete and require $\Omega(k)$ layers for $k$-hop reasoning. We introduce RASA (Relation-Aware Sparse Attention), a minimal modification adding: (1) edge-type embeddings that inject relational structure into attention scores, and (2) sparse masking that restricts attention to graph-adjacent positions. While RASA has the same asymptotic depth requirements, sparse masking reduces the attention search space from $O(2^{n^2})$ to $O(2^m)$ patterns, and edge biases provide explicit relation routing. Empirically, on MetaQA (1/2/3-hop) and WebQuestionsSP, RASA outperforms standard transformers and matches GPT-4 at lower cost, with advantages growing with reasoning depth (+7.1 points on 3-hop). We do not claim formal learnability guarantees; the contribution is empirical validation that minimal structural modifications substantially improve multi-hop reasoning.
Authors: Jae-Sung Bae, Minje Kim
Abstract: Despite strong performance in data-rich regimes, deep learning often underperforms in the data-scarce settings common in practice. While foundation models (FMs) trained on massive datasets demonstrate strong generalization by extracting general-purpose features, they can still suffer from scarce labeled data during downstream fine-tuning. To address this, we propose GeLDA, a semantics-aware generative latent data augmentation framework that leverages conditional diffusion models to synthesize samples in an FM-induced latent space. Because this space is low-dimensional and concentrates task-relevant information compared to the input space, GeLDA enables efficient, high-quality data generation. GeLDA conditions generation on auxiliary feature vectors that capture semantic relationships among classes or subdomains, facilitating data augmentation in low-resource domains. We validate GeLDA in two large-scale recognition tasks: (a) in zero-shot language-specific speech emotion recognition, GeLDA improves the Whisper-large baseline's unweighted average recall by 6.13%; and (b) in long-tailed image classification, it achieves 74.7% tail-class accuracy on ImageNet-LT, setting a new state-of-the-art result.
Authors: Mingxuan Li, Junzhe Zhang, Elias Bareinboim
Abstract: Expressive policies based on flow-matching have been successfully applied in reinforcement learning (RL) more recently due to their ability to model complex action distributions from offline data. These algorithms build on standard policy gradients, which assume that there is no unmeasured confounding in the data. However, this condition does not necessarily hold for pixel-based demonstrations when a mismatch exists between the demonstrator's and the learner's sensory capabilities, leading to implicit confounding biases in offline data. We address the challenge by investigating the problem of confounded observations in offline RL from a causal perspective. We develop a novel causal offline RL objective that optimizes policies' worst-case performance that may arise due to confounding biases. Based on this new objective, we introduce a practical implementation that learns expressive flow-matching policies from confounded demonstrations, employing a deep discriminator to assess the discrepancy between the target policy and the nominal behavioral policy. Experiments across 25 pixel-based tasks demonstrate that our proposed confounding-robust augmentation procedure achieves a success rate 120\% that of confounding-unaware, state-of-the-art offline RL methods.
Authors: Ali Abbasi, Chayne Thrash, Haoran Qin, Shansita Sharma, Sepehr Seifi, Soheil Kolouri
Abstract: Advances in large language models have driven strong performance across many tasks, but their memory and compute costs still hinder deployment. SVD-based compression reduces storage and can speed up inference via low-rank factors, yet performance depends on how rank is allocated under a global compression ratio. Prior methods often use homogeneous ranks for similarly sized matrices, despite large differences in loss sensitivity, or rely on expensive iterative pre-truncation optimization to determine per matrix ranks. We propose \textbf{Zero Sum SVD} (\textbf{ZS-SVD}), a post-training method that performs \emph{global} singular component selection using activation whitening and first-order calibration loss estimates in whitened coordinates. \textbf{ZS-SVD} prunes components across the whole model with a \textbf{zero sum} rule that keeps the cumulative predicted loss change near zero, automatically yielding heterogeneous ranks without solving a rank allocation optimization. Motivated by evidence that gradients near pretrained solutions exhibit low rank structure, we also introduce an optional lightweight correction that applies a \textbf{single} projected gradient update after truncation, followed by re-truncation. Extensive experiments across multiple LLM architectures show consistent gains across diverse benchmarks and compression ratios. Code is available at https://github.com/mint-vu/Zero-Sum-SVD
Authors: Stefanos Pertigkiozoglou, Mircea Petrache, Shubhendu Trivedi, Kostas Daniilidis
Abstract: Equivariant neural networks exploit underlying task symmetries to improve generalization, but strict equivariance constraints can induce more complex optimization dynamics that can hinder learning. Prior work addresses these limitations by relaxing strict equivariance during training, but typically relies on prespecified, explicit, or implicit target levels of relaxation for each network layer, which are task-dependent and costly to tune. We propose Recurrent Equivariant Constraint Modulation (RECM), a layer-wise constraint modulation mechanism that learns appropriate relaxation levels solely from the training signal and the symmetry properties of each layer's input-target distribution, without requiring any prior knowledge about the task-dependent target relaxation level. We demonstrate that under the proposed RECM update, the relaxation level of each layer provably converges to a value upper-bounded by its symmetry gap, namely the degree to which its input-target distribution deviates from exact symmetry. Consequently, layers processing symmetric distributions recover full equivariance, while those with approximate symmetries retain sufficient flexibility to learn non-symmetric solutions when warranted by the data. Empirically, RECM outperforms prior methods across diverse exact and approximate equivariant tasks, including the challenging molecular conformer generation on the GEOM-Drugs dataset.
Authors: Gibbs Nwemadji, Bruno Loureiro, Jean Barbier
Abstract: Pre-training on a source task is usually expected to facilitate fine-tuning on similar downstream problems. In this work, we mathematically show that this naive intuition is not always true: excessive pre-training can computationally slow down fine-tuning optimization. We study this phenomenon for low-rank adaptation (LoRA) fine-tuning on single-index models trained under one-pass SGD. Leveraging a summary statistics description of the fine-tuning dynamics, we precisely characterize how the convergence rate depends on the initial fine-tuning alignment and the degree of non-linearity of the target task. The key take away is that even when the pre-training and down- stream tasks are well aligned, strong pre-training can induce a prolonged search phase and hinder convergence. Our theory thus provides a unified picture of how pre-training strength and task difficulty jointly shape the dynamics and limitations of LoRA fine-tuning in a nontrivial tractable model.
Authors: Hari K Prakash, Charles H Martin
Abstract: \emph{Memorization} in neural networks lacks a precise operational definition and is often inferred from the grokking regime, where training accuracy saturates while test accuracy remains very low. We identify a previously unreported third phase of grokking in this training regime: \emph{anti-grokking}, a late-stage collapse of generalization. We revisit two canonical grokking setups: a 3-layer MLP trained on a subset of MNIST and a transformer trained on modular addition, but extended training far beyond standard. In both cases, after models transition from pre-grokking to successful generalization, test accuracy collapses back to chance while training accuracy remains perfect, indicating a distinct post-generalization failure mode. To diagnose anti-grokking, we use the open-source \texttt{WeightWatcher} tool based on HTSR/SETOL theory. The primary signal is the emergence of \emph{Correlation Traps}: anomalously large eigenvalues beyond the Marchenko--Pastur bulk in the empirical spectral density of shuffled weight matrices, which are predicted to impair generalization. As a secondary signal, anti-grokking corresponds to the average HTSR layer quality metric $\alpha$ deviating from $2.0$. Neither metric requires access to the test or training data. We compare these signals to alternative grokking diagnostic, including $\ell_2$ norms, Activation Sparsity, Absolute Weight Entropy, and Local Circuit Complexity. These track pre-grokking and grokking but fail to identify anti-grokking. Finally, we show that Correlation Traps can induce catastrophic forgetting and/or prototype memorization, and observe similar pathologies in large-scale LLMs, like OSS GPT 20/120B.
Authors: Xiyuan Wei, Linli Zhou, Bokun Wang, Chih-Jen Lin, Tianbao Yang
Abstract: This paper studies optimization for a family of problems termed $\textbf{compositional entropic risk minimization}$, in which each data's loss is formulated as a Log-Expectation-Exponential (Log-E-Exp) function. The Log-E-Exp formulation serves as an abstraction of the Log-Sum-Exponential (LogSumExp) function when the explicit summation inside the logarithm is taken over a gigantic number of items and is therefore expensive to evaluate. While entropic risk objectives of this form arise in many machine learning problems, existing optimization algorithms suffer from several fundamental limitations including non-convergence, numerical instability, and slow convergence rates. To address these limitations, we propose a geometry-aware stochastic algorithm, termed $\textbf{SCENT}$, for the dual formulation of entropic risk minimization cast as a min--min optimization problem. The key to our design is a $\textbf{stochastic proximal mirror descent (SPMD)}$ update for the dual variable, equipped with a Bregman divergence induced by a negative exponential function that faithfully captures the geometry of the objective. Our main contributions are threefold: (i) we establish an $O(1/\sqrt{T})$ convergence rate of the proposed SCENT algorithm for convex problems; (ii) we theoretically characterize the advantages of SPMD over standard SGD update for optimizing the dual variable; and (iii) we demonstrate the empirical effectiveness of SCENT on extreme classification, partial AUC maximization, contrastive learning and distributionally robust optimization, where it consistently outperforms existing baselines.
Authors: Francesco De Santis, Gabriele Ciravegna, Giovanni De Felice, Arianna Casanova, Francesco Giannini, Michelangelo Diligenti, Mateo Espinosa Zarlenga, Pietro Barbiero, Johannes Schneider, Danilo Giordano
Abstract: Concept Bottleneck Models (CBMs) promote interpretability by grounding predictions in human-understandable concepts. However, existing CBMs typically fix their task predictor to a single linear or Boolean expression, limiting both predictive accuracy and adaptability to diverse user needs. We propose Mixture of Concept Bottleneck Experts (M-CBEs), a framework that generalizes existing CBMs along two dimensions: the number of experts and the functional form of each expert, exposing an underexplored region of the design space. We investigate this region by instantiating two novel models: Linear M-CBE, which learns a finite set of linear expressions, and Symbolic M-CBE, which leverages symbolic regression to discover expert functions from data under user-specified operator vocabularies. Empirical evaluation demonstrates that varying the mixture size and functional form provides a robust framework for navigating the accuracy-interpretability trade-off, adapting to different user and task needs.
Authors: Anthony Fuller, James R. Green, Evan Shelhamer
Abstract: Model soups are strange and strangely effective combinations of parameters. They take a model (the stock), fine-tune it into multiple models (the ingredients), and then mix their parameters back into one model (the soup) to improve predictions. While all known soups require supervised learning, and optimize the same loss on labeled data, our recipes for Self-\emph{Soup}ervision generalize soups to self-supervised learning (SSL). Our Self-Souping lets us flavor ingredients on new data sources, e.g. from unlabeled data from a task for transfer or from a shift for robustness. We show that Self-Souping on corrupted test data, then fine-tuning back on uncorrupted train data, boosts robustness by +3.5\% (ImageNet-C) and +7\% (LAION-C). Self-\emph{Soup}ervision also unlocks countless SSL algorithms to cook the diverse ingredients needed for more robust soups. We show for the first time that ingredients can differ in their SSL hyperparameters -- and more surprisingly, in their SSL algorithms. We cook soups of MAE, MoCoV3, and MMCR ingredients that are more accurate than any one single SSL ingredient.
Authors: Prajna G. Malettira, Manish Nagaraj, Arjun Roy, Shubham Negi, Kaushik Roy
Abstract: Structured pruning is essential for efficient deployment of Large Language Models (LLMs). The varying sensitivity of LLM sub-blocks to pruning necessitates the identification of optimal non-uniformly pruned models. Existing methods evaluate the importance of layers, attention heads, or weight channels in isolation. Such localized focus ignores the complex global structural dependencies that exist across the model. Training-aware structured pruning addresses global dependencies, but its computational cost can be just as expensive as post-pruning training. To alleviate the computational burden of training-aware pruning and capture global structural dependencies, we propose TraceNAS, a training-free Neural Architecture Search (NAS) framework that jointly explores structured pruning of LLM depth and width. TraceNAS identifies pruned models that maintain a high degree of loss landscape alignment with the pretrained model using a scale-invariant zero-shot proxy, effectively selecting models that exhibit maximal performance potential during post-pruning training. TraceNAS is highly efficient, enabling high-fidelity discovery of pruned models on a single GPU in 8.5 hours, yielding a 10$\times$ reduction in GPU-hours compared to training-aware methods. Evaluations on the Llama and Qwen families demonstrate that TraceNAS is competitive with training-aware baselines across commonsense and reasoning benchmarks.
Authors: Zesen Wang, Mikael Johansson
Abstract: Decentralized training is often regarded as inferior to centralized training because the consensus errors between workers are thought to undermine convergence and generalization, even with homogeneous data distributions. This work challenges this view by introducing decentralized SGD with Adaptive Consensus (DSGD-AC), which intentionally preserves non-vanishing consensus errors through a time-dependent scaling mechanism. We prove that these errors are not random noise but systematically align with the dominant Hessian subspace, acting as structured perturbations that guide optimization toward flatter minima. Across image classification and machine translation benchmarks, DSGD-AC consistently surpasses both standard DSGD and centralized SGD in test accuracy and solution flatness. Together, these results establish consensus errors as a useful implicit regularizer and open a new perspective on the design of decentralized learning algorithms.
Authors: Zeyu Fang, Zuyuan Zhang, Mahdi Imani, Tian Lan
Abstract: Model-based offline reinforcement learning is brittle under distribution shift: policy improvement drives rollouts into state--action regions weakly supported by the dataset, where compounding model error yields severe value overestimation. We propose Manifold-Constrained Energy-based Transition Models (MC-ETM), which train conditional energy-based transition models using a manifold projection--diffusion negative sampler. MC-ETM learns a latent manifold of next states and generates near-manifold hard negatives by perturbing latent codes and running Langevin dynamics in latent space with the learned conditional energy, sharpening the energy landscape around the dataset support and improving sensitivity to subtle out-of-distribution deviations. For policy optimization, the learned energy provides a single reliability signal: rollouts are truncated when the minimum energy over sampled next states exceeds a threshold, and Bellman backups are stabilized via pessimistic penalties based on Q-value-level dispersion across energy-guided samples. We formalize MC-ETM through a hybrid pessimistic MDP formulation and derive a conservative performance bound separating in-support evaluation error from truncation risk. Empirically, MC-ETM improves multi-step dynamics fidelity and yields higher normalized returns on standard offline control benchmarks, particularly under irregular dynamics and sparse data coverage.
Authors: Haoran Su, Yandong Sun, Hanxiao Deng
Abstract: Traffic signal control is a critical challenge in urban transportation, requiring coordination among multiple intersections to optimize network-wide traffic flow. While reinforcement learning has shown promise for adaptive signal control, existing methods struggle with multi-agent coordination and sample efficiency. We introduce MADT (Multi-Agent Decision Transformer), a novel approach that reformulates multi-agent traffic signal control as a sequence modeling problem. MADT extends the Decision Transformer paradigm to multi-agent settings by incorporating: (1) a graph attention mechanism for modeling spatial dependencies between intersections, (2) a|temporal transformer encoder for capturing traffic dynamics, and (3) return-to-go conditioning for target performance specification. Our approach enables offline learning from historical traffic data, with architecture design that facilitates potential online fine-tuning. Experiments on synthetic grid networks and real-world traffic scenarios demonstrate that MADT achieves state-of-the-art performance, reducing average travel time by 5-6% compared to the strongest baseline while exhibiting superior coordination among adjacent intersections.
Authors: Binxu Wang, Jacob Zavatone-Veth, Cengiz Pehlevan
Abstract: Diffusion models trained on different, non-overlapping subsets of a dataset often produce strikingly similar outputs when given the same noise seed. We trace this consistency to a simple linear effect: the shared Gaussian statistics across splits already predict much of the generated images. To formalize this, we develop a random matrix theory (RMT) framework that quantifies how finite datasets shape the expectation and variance of the learned denoiser and sampling map in the linear setting. For expectations, sampling variability acts as a renormalization of the noise level through a self-consistent relation $\sigma^2 \mapsto \kappa(\sigma^2)$, explaining why limited data overshrink low-variance directions and pull samples toward the dataset mean. For fluctuations, our variance formulas reveal three key factors behind cross-split disagreement: \textit{anisotropy} across eigenmodes, \textit{inhomogeneity} across inputs, and overall scaling with dataset size. Extending deterministic-equivalence tools to fractional matrix powers further allows us to analyze entire sampling trajectories. The theory sharply predicts the behavior of linear diffusion models, and we validate its predictions on UNet and DiT architectures in their non-memorization regime, identifying where and how samples deviates across training data split. This provides a principled baseline for reproducibility in diffusion training, linking spectral properties of data to the stability of generative outputs.
Authors: Pedro A. Ortega
Abstract: Many ideas in modern control and reinforcement learning treat decision-making as inference: start from a baseline distribution and update it when a signal arrives. We ask when this can be made literal rather than metaphorical. We study the special case where a KL-regularized soft update is exactly a Bayesian posterior inside a single fixed probabilistic model, so the update variable is a genuine channel through which information is transmitted. In this regime, behavioral change is driven only by evidence carried by that channel: the update must be explainable as an evidence reweighing of the baseline. This yields a sharp identification result: posterior updates determine the relative, context-dependent incentive signal that shifts behavior, but they do not uniquely determine absolute rewards, which remain ambiguous up to context-specific baselines. Requiring one reusable continuation value across different update directions adds a further coherence constraint linking the reward descriptions associated with different conditioning orders.
Authors: Yunsung Chung, Keum San Chun, Migyeong Gwak, Han Feng, Yingshuo Liu, Chanho Lim, Viswam Nathan, Nassir Marrouche, Sharanya Arcot Desai
Abstract: Advances in wearable computing and AI have increased interest in leveraging PPG for health monitoring over the past decade. One of the biggest challenges in developing health algorithms based on such biosignals is the sparsity of clinical labels, which makes biosignals temporally distant from lab draws less reliable for supervision. To address this problem, we introduce a simple training strategy that learns a biomarker-specific decay of sample weight over the time gap between a segment and its ground truth label and uses this weight in the loss with a regularizer to prevent trivial solutions. On smartwatch PPG from 450 participants across 10 biomarkers, the approach improves over baselines. In the subject-wise setting, the proposed approach averages 0.715 AUPRC, compared to 0.674 for a fine-tuned self-supervised baseline and 0.626 for a feature-based Random Forest. A comparison of four decay families shows that a simple linear decay function is most robust on average. Beyond accuracy, the learned decay rates summarize how quickly each biomarker's PPG evidence becomes stale, providing an interpretable view of temporal sensitivity.
Authors: Jagan Mohan Reddy Dwarampudi, Jennifer L Purks, Joshua Wong, Renjie Hu, Tania Banerjee
Abstract: We introduce a reproducible, bias-resistant machine learning framework that integrates domain-informed feature engineering, nested cross-validation, and calibrated decision-threshold optimization for small-sample neuroimaging data. Conventional cross-validation frameworks that reuse the same folds for both model selection and performance estimation yield optimistically biased results, limiting reproducibility and generalization. Demonstrated on a high-dimensional structural MRI dataset of deep brain stimulation cognitive outcomes, the framework achieved a nested-CV balanced accuracy of 0.660\,$\pm$\,0.068 using a compact, interpretable subset selected via importance-guided ranking. By combining interpretability and unbiased evaluation, this work provides a generalizable computational blueprint for reliable machine learning in data-limited biomedical domains.
Authors: Xiaoyuan Cheng, Wenxuan Yuan, Boyang Li, Yuanchao Xu, Yiming Yang, Hao Liang, Bei Peng, Robert Loftin, Zhuo Sun, Yukun Hu
Abstract: Diffusion policy sampling enables reinforcement learning (RL) to represent multimodal action distributions beyond suboptimal unimodal Gaussian policies. However, existing diffusion-based RL methods primarily focus on offline settings for reward maximization, with limited consideration of safety in online settings. To address this gap, we propose Augmented Lagrangian-Guided Diffusion (ALGD), a novel algorithm for off-policy safe RL. By revisiting optimization theory and energy-based model, we show that the instability of primal-dual methods arises from the non-convex Lagrangian landscape. In diffusion-based safe RL, the Lagrangian can be interpreted as an energy function guiding the denoising dynamics. Counterintuitively, direct usage destabilizes both policy generation and training. ALGD resolves this issue by introducing an augmented Lagrangian that locally convexifies the energy landscape, yielding a stabilized policy generation and training process without altering the distribution of the optimal policy. Theoretical analysis and extensive experiments demonstrate that ALGD is both theoretically grounded and empirically effective, achieving strong and stable performance across diverse environments.
Authors: Sidahmed Benabderrahmane, Petko Valtchev, James Cheney, Talal Rahwan
Abstract: Detecting rare and diverse anomalies in highly imbalanced datasets-such as Advanced Persistent Threats (APTs) in cybersecurity-remains a fundamental challenge for machine learning systems. Active learning offers a promising direction by strategically querying an oracle to minimize labeling effort, yet conventional approaches often fail to exploit the intrinsic geometric structure of the feature space for model refinement. In this paper, we introduce SDA2E, a Sparse Dual Adversarial Attention-based AutoEncoder designed to learn compact and discriminative latent representations from imbalanced, high-dimensional data. We further propose a similarity-guided active learning framework that integrates three novel strategies to refine decision boundaries efficiently: mormal-like expansion, which enriches the training set with points similar to labeled normals to improve reconstruction fidelity; anomaly-like prioritization, which boosts ranking accuracy by focusing on points resembling known anomalies; and a hybrid strategy that combines both for balanced model refinement and ranking. A key component of our framework is a new similarity measure, Normalized Matching 1s (SIM_NM1), tailored for sparse binary embeddings. We evaluate SDA2E extensively across 52 imbalanced datasets, including multiple DARPA Transparent Computing scenarios, and benchmark it against 15 state-of-the-art anomaly detection methods. Results demonstrate that SDA2E consistently achieves superior ranking performance (nDCG up to 1.0 in several cases) while reducing the required labeled data by up to 80% compared to passive training. Statistical tests confirm the significance of these improvements. Our work establishes a robust, efficient, and statistically validated framework for anomaly detection that is particularly suited to cybersecurity applications such as APT detection.
Authors: Zimo Wang, Ishit Mehta, Haolin Lu, Chung-En Sun, Ge Yan, Tsui-Wei Weng, Tzu-Mao Li
Abstract: Time-unconditional generative models learn time-independent denoising vector fields. But without time conditioning, the same noisy input may correspond to multiple noise levels and different denoising directions, which interferes with the supervision signal. Inspired by distance field modeling, we propose Distance Marching, a new time-unconditional approach with two principled inference methods. Crucially, we design losses that focus on closer targets. This yields denoising directions better directed toward the data manifold. Across architectures, Distance Marching consistently improves FID by 13.5% on CIFAR-10 and ImageNet over recent time-unconditional baselines. For class-conditional ImageNet generation, despite removing time input, Distance Marching surpasses flow matching using our losses and inference methods. It achieves lower FID than flow matching's final performance using 60% of the sampling steps and 13.6% lower FID on average across backbone sizes. Moreover, our distance prediction is also helpful for early stopping during sampling and for OOD detection. We hope distance field modeling can serve as a principled lens for generative modeling.
Authors: Asif Tauhid, Sidahmed Benabderrahmane, Mohamad Altrabulsi, Ahamed Foisal, Talal Rahwan
Abstract: Advanced Persistent Threats (APTs) are sophisticated, long-term cyberattacks that are difficult to detect because they operate stealthily and often blend into normal system behavior. This paper presents a neuro-symbolic anomaly detection framework that combines a Graph Autoencoder (GAE) with rare pattern mining to identify APT-like activities in system-level provenance data. Our approach first constructs a process behavioral graph using k-Nearest Neighbors based on feature similarity, then learns normal relational structure using a Graph Autoencoder. Anomaly candidates are identified through deviations between observed and reconstructed graph structure. To further improve detection, we integrate an rare pattern mining module that discovers infrequent behavioral co-occurrences and uses them to boost anomaly scores for processes exhibiting rare signatures. We evaluate the proposed method on the DARPA Transparent Computing datasets and show that rare-pattern boosting yields substantial gains in anomaly ranking quality over the baseline GAE. Compared with existing unsupervised approaches on the same benchmark, our single unified model consistently outperforms individual context-based detectors and achieves performance competitive with ensemble aggregation methods that require multiple separate detectors. These results highlight the value of coupling graph-based representation learning with classical pattern mining to improve both effectiveness and interpretability in provenance-based security anomaly detection.
Authors: Yin Jin, Tucker R. Stewart, Deyi Zhou, Chhavi Gupta, Arjita Nema, Scott C. Brakenridge, Grant E. O'Keefe, Juhua Hu
Abstract: Sepsis is a major public health concern due to its high morbidity, mortality, and cost. Its clinical outcome can be substantially improved through early detection and timely intervention. By leveraging publicly available datasets, machine learning (ML) has driven advances in both research and clinical practice. However, existing public datasets consider ICU patients (Intensive Care Unit) as a uniform group and neglect the potential challenges presented by critically ill trauma patients in whom injury-related inflammation and organ dysfunction can overlap with the clinical features of sepsis. We propose that a targeted identification of post-traumatic sepsis is necessary in order to develop methods for early detection. Therefore, we introduce a publicly available standardized post-trauma sepsis onset dataset extracted, relabeled using standardized post-trauma clinical facts, and validated from MIMIC-III. Furthermore, we frame early detection of post-trauma sepsis onset according to clinical workflow in ICUs in a daily basis resulting in a new rare event detection problem. We then establish a general benchmark through comprehensive experiments, which shows the necessity of further advancements using this new dataset. The data code is available at https://github.com/ML4UWHealth/SepsisOnset_TraumaCohort.git.
URLs: https://github.com/ML4UWHealth/SepsisOnset_TraumaCohort.git.
Authors: Jiaqi Wen, Lei Fan, Jianyi Yang
Abstract: Predict-then-Optimize (PTO) pipelines are widely employed in computing and networked systems, where Machine Learning (ML) models are used to predict critical contextual information for downstream decision-making tasks such as cloud LLM serving, data center demand response, and edge workload scheduling. However, these ML predictors are often vulnerable to out-of-distribution (OOD) samples at test time, leading to significant decision performance degradation due to large prediction errors. To address the generalization challenges under OOD conditions, we present the framework of Distributionally Robust Decision-Focused Learning (DR-DFL), which trains ML models to optimize decision performance under the worst-case distribution. Instead of relying on classical Distributionally Robust Optimization (DRO) techniques, we propose Diffusion-Augmented Distributionally Robust Decision-Focused Learning (3D-Learning), which searches for the worst-case distribution within the parameterized space of a diffusion model. By leveraging the powerful distribution modeling capabilities of diffusion models, 3D-Learning identifies worst-case distributions that remain consistent with real data, achieving a favorable balance between average and worst-case scenarios. Empirical results on an LLM resource provisioning task demonstrate that 3D-Learning outperforms existing DRO and Data Augmentation methods in OOD generalization performance.
Authors: Jack Michael Solomon, Rishi Leburu, Matthias Chung
Abstract: Inverse problems are fundamental to many scientific and engineering disciplines; they arise when one seeks to reconstruct hidden, underlying quantities from noisy measurements. Many applications demand not just point estimates but interpretable uncertainty. Providing fast inference alongside uncertainty estimates remains challenging yet desirable in numerous applications. We propose the Variational Sparse Paired Autoencoder (vsPAIR) to address this challenge. The architecture pairs a standard VAE encoding observations with a sparse VAE encoding quantities of interest, connected through a learned latent mapping. The variational structure enables uncertainty estimation, the paired architecture encourages interpretability by anchoring QoI representations to clean data, and sparse encodings provide structure by concentrating information into identifiable factors rather than diffusing across all dimensions. We also propose modifications to existing sparse VAE methods: a hard-concrete spike-and-slab relaxation for differentiable training and a beta hyperprior for adaptive sparsity levels. To validate the effectiveness of our proposed architecture, we conduct experiments on blind inpainting and computed tomography, demonstrating that vsPAIR is a capable inverse problem solver that can provide interpretable and structured uncertainty estimates.
Authors: Haocheng Xi, Shuo Yang, Yilong Zhao, Muyang Li, Han Cai, Xingyang Li, Yujun Lin, Zhuoyang Zhang, Jintao Zhang, Xiuyu Li, Zhiying Xu, Jun Wu, Chenfeng Xu, Ion Stoica, Song Han, Kurt Keutzer
Abstract: Despite rapid progress in autoregressive video diffusion, an emerging system algorithm bottleneck limits both deployability and generation capability: KV cache memory. In autoregressive video generation models, the KV cache grows with generation history and quickly dominates GPU memory, often exceeding 30 GB, preventing deployment on widely available hardware. More critically, constrained KV cache budgets restrict the effective working memory, directly degrading long horizon consistency in identity, layout, and motion. To address this challenge, we present Quant VideoGen (QVG), a training free KV cache quantization framework for autoregressive video diffusion models. QVG leverages video spatiotemporal redundancy through Semantic Aware Smoothing, producing low magnitude, quantization friendly residuals. It further introduces Progressive Residual Quantization, a coarse to fine multi stage scheme that reduces quantization error while enabling a smooth quality memory trade off. Across LongCat Video, HY WorldPlay, and Self Forcing benchmarks, QVG establishes a new Pareto frontier between quality and memory efficiency, reducing KV cache memory by up to 7.0 times with less than 4% end to end latency overhead while consistently outperforming existing baselines in generation quality.
Authors: Xiaocai Zhang, Neema Nassir, Lok Sang Chan, Milad Haghani
Abstract: Coordinating traffic signals along multimodal corridors is challenging because many multi-agent deep reinforcement learning (DRL) approaches remain vehicle-centric and struggle with high-dimensional discrete action spaces. We propose MA2B-DDQN, a human-centric multi-agent action-branching double Deep Q-Network (DQN) framework that explicitly optimizes traveler-level equity. Our key contribution is an action-branching discrete control formulation that decomposes corridor control into (i) local, per-intersection actions that allocate green time between the next two phases and (ii) a single global action that selects the total duration of those phases. This decomposition enables scalable coordination under discrete control while reducing the effective complexity of joint decision-making. We also design a human-centric reward that penalizes the number of delayed individuals in the corridor, accounting for pedestrians, vehicle occupants, and transit passengers. Extensive evaluations across seven realistic traffic scenarios in Melbourne, Australia, demonstrate that our approach significantly reduces the number of impacted travelers, outperforming existing DRL and baseline methods. Experiments confirm the robustness of our model, showing minimal variance across diverse settings. This framework not only advocates for a fairer traffic signal system but also provides a scalable solution adaptable to varied urban traffic conditions.
Authors: Hoang M. Ngo, Nhat Hoang-Xuan, Quan Nguyen, Nguyen Do, Incheol Shin, My T. Thai
Abstract: Quantum Machine Learning (QML) promises significant computational advantages, but preserving training data privacy remains challenging. Classical approaches like differentially private stochastic gradient descent (DP-SGD) add noise to gradients but fail to exploit the unique properties of quantum gradient estimation. In this work, we introduce the Differentially Private Parameter-Shift Rule (Q-ShiftDP), the first privacy mechanism tailored to QML. By leveraging the inherent boundedness and stochasticity of quantum gradients computed via the parameter-shift rule, Q-ShiftDP enables tighter sensitivity analysis and reduces noise requirements. We combine carefully calibrated Gaussian noise with intrinsic quantum noise to provide formal privacy and utility guarantees, and show that harnessing quantum noise further improves the privacy-utility trade-off. Experiments on benchmark datasets demonstrate that Q-ShiftDP consistently outperforms classical DP methods in QML.
Authors: Shrenik Patel, Christine Truong
Abstract: Constrained multi-agent reinforcement learning (MARL) faces a fundamental tension between exploration and safety-constrained optimization. Existing leading approaches, such as Lagrangian methods, typically rely on global penalties or centralized critics that react to violations after they occur, often suppressing exploration and leading to over-conservatism. We propose Co2PO, a novel MARL communication-augmented framework that enables coordination-driven safety through selective, risk-aware communication. Co2PO introduces a shared blackboard architecture for broadcasting positional intent and yield signals, governed by a learned hazard predictor that proactively forecasts potential violations over an extended temporal horizon. By integrating these forecasts into a constrained optimization objective, Co2PO allows agents to anticipate and navigate collective hazards without the performance trade-offs inherent in traditional reactive constraints. We evaluate Co2PO across a suite of complex multi-agent safety benchmarks, where it achieves higher returns compared to leading constrained baselines while converging to cost-compliant policies at deployment. Ablation studies further validate the necessity of risk-triggered communication, adaptive gating, and shared memory components.
Authors: Wei-Kai Chang, Rajiv Khanna
Abstract: Machine unlearning, the ability to erase the effect of specific training samples without retraining from scratch, is critical for privacy, regulation, and efficiency. However, most progress in unlearning has been empirical, with little theoretical understanding of when and why unlearning works. We tackle this gap by framing unlearning through the lens of asymptotic linear stability to capture the interaction between optimization dynamics and data geometry. The key quantity in our analysis is data coherence which is the cross sample alignment of loss surface directions near the optimum. We decompose coherence along three axes: within the retain set, within the forget set, and between them, and prove tight stability thresholds that separate convergence from divergence. To further link data properties to forgettability, we study a two layer ReLU CNN under a signal plus noise model and show that stronger memorization makes forgetting easier: when the signal to noise ratio (SNR) is lower, cross sample alignment is weaker, reducing coherence and making unlearning easier; conversely, high SNR, highly aligned models resist unlearning. For empirical verification, we show that Hessian tests and CNN heatmaps align closely with the predicted boundary, mapping the stability frontier of gradient based unlearning as a function of batching, mixing, and data/model alignment. Our analysis is grounded in random matrix theory tools and provides the first principled account of the trade offs between memorization, coherence, and unlearning.
Authors: Jiangyong Yu, Xiaomeng Han, Xing Hu, Chen Xu, Zhe Jiang, Dawei Yang
Abstract: Large Language Models (LLMs) have demonstrated remarkable performance across a wide range of tasks, but their deployment is often constrained by substantial memory footprints and computational costs. While prior work has achieved significant progress in compressing and accelerating linear layers, nonlinear layers-such as SiLU, RMSNorm, and Softmax-still heavily depend on high-precision floating-point operations. In this paper, we propose a calibration-free, dynamic-programming-optimal, and hardware-friendly framework called Non-uniform Linear Interpolation (NLI). NLI is capable of efficiently approximating a variety of nonlinear functions, enabling seamless integration into LLMs and other deep neural networks with almost no loss in accuracy. NLI ingeniously recasts cutpoint selection as a dynamic-programming problem, achieving the globally minimal interpolation error in O(MxN2) time via Bellman's optimality principle. Based on the NLI algorithm, we also design and implement a plug-and-play universal nonlinear computation unit. Hardware experiments demonstrate that the NLI Engine achieves more than 4x improvement in computational efficiency compared to the state-of-the-art designs.
Authors: Evan Wang, Simon Chess, Daniel Lee, Siyuan Ge, Ajit Mallavarapu, Vasily Ilin
Abstract: As neural theorem provers become increasingly agentic, the ability to interpret and act on compiler feedback is critical. However, existing Lean datasets consist almost exclusively of correct proofs, offering little supervision for understanding and repairing failures. We study Lean proof repair as a supervised learning problem: given an erroneous proof and compiler feedback, predict both a corrected proof and a natural-language diagnosis grounded in the same feedback. We introduce APRIL (Automated Proof Repair in Lean), a dataset of 260,000 supervised tuples pairing systematically generated proof failures with compiler diagnostics and aligned repair and explanation targets. Training language models on APRIL substantially improves repair accuracy and feedback-conditioned reasoning; in our single-shot repair evaluation setting, a finetuned 4B-parameter model outperforms the strongest open-source baseline. We view diagnostic-conditioned supervision as a complementary training signal for feedback-using provers. Our dataset is available at \href{https://huggingface.co/datasets/uw-math-ai/APRIL}{this link}.
Authors: Hiroki Naganuma, Shagun Gupta, Youssef Briki, Ioannis Mitliagkas, Irina Rish, Parameswaran Raman, Hao-Jun Michael Shi
Abstract: To maximize hardware utilization, modern machine learning systems typically employ large constant or manually tuned batch size schedules, relying on heuristics that are brittle and costly to tune. Existing adaptive strategies based on gradient noise scale (GNS) offer a principled alternative. However, their assumption of SGD's Euclidean geometry creates a fundamental mismatch with popular optimizers based on generalized norms, such as signSGD / Signum ($\ell_\infty$) and stochastic spectral descent (specSGD) / Muon ($\mathcal{S}_\infty$). In this work, we derive gradient noise scales for signSGD and specSGD that naturally emerge from the geometry of their respective dual norms. To practically estimate these non-Euclidean metrics, we propose an efficient variance estimation procedure that leverages the local mini-batch gradients on different ranks in distributed data-parallel systems. Our experiments demonstrate that adaptive batch size strategies using non-Euclidean GNS enable us to match the validation loss of constant-batch baselines while reducing training steps by up to 66% for Signum and Muon on a 160 million parameter Llama model.
Authors: Xiangrui Zhang, Chunyue Song, Wei Dai, Zheng Zhang, Kaihua Gao, Furong Gao
Abstract: To improve the reliability and interpretability of industrial process monitoring, this article proposes a Causal Graph Spatial-Temporal Autoencoder (CGSTAE). The network architecture of CGSTAE combines two components: a correlation graph structure learning module based on spatial self-attention mechanism (SSAM) and a spatial-temporal encoder-decoder module utilizing graph convolutional long-short term memory (GCLSTM). The SSAM learns correlation graphs by capturing dynamic relationships between variables, while a novel three-step causal graph structure learning algorithm is introduced to derive a causal graph from these correlation graphs. The algorithm leverages a reverse perspective of causal invariance principle to uncover the invariant causal graph from varying correlations. The spatial-temporal encoder-decoder, built with GCLSTM units, reconstructs time-series process data within a sequence-to-sequence framework. The proposed CGSTAE enables effective process monitoring and fault detection through two statistics in the feature space and residual space. Finally, we validate the effectiveness of CGSTAE in process monitoring through the Tennessee Eastman process and a real-world air separation process.
Authors: Xueying Ding, Haomin Wen, Simon Kl\"utterman, Leman Akoglu
Abstract: Outlier detection (OD) is widely used in practice; but its effective deployment on new tasks is hindered by lack of labeled outliers, which makes algorithm and hyperparameter selection notoriously hard. Foundation models (FMs) have transformed ML, and OD is no exception: Shen et. al. (2025) introduced FoMo-0D, the first FM for OD, achieving remarkable performance against numerous baselines. This work introduces OUTFORMER, which advances FoMo-0D with (1) a mixture of synthetic priors and (2) self-evolving curriculum training. OUTFORMER is pretrained solely on synthetic labeled datasets and infers test labels of a new task by using its training data as in-context input. Inference is fast and zero-shot, requiring merely forward pass and no labeled outliers. Thanks to in-context learning, it requires zero additional work-no OD model training or bespoke model selection-enabling truly plug-and-play deployment. OUTFORMER achieves state-of-the-art performance on the prominent AdBench, as well as two new large-scale OD benchmarks that we introduce, comprising over 1,500 datasets, while maintaining speedy inference.
Authors: Guohao Yang, Tongle Wu, Yuanxiong Guo, Ying Sun, Yanmin Gong
Abstract: Fine-tuning is essential to adapt general-purpose large language models (LLMs) to domain-specific tasks. As a privacy-preserving framework to leverage decentralized data for collaborative model training, Federated Learning (FL) is gaining popularity in LLM fine-tuning, but remains challenging due to the high cost of transmitting full model parameters and computing full gradients on resource-constrained clients. While Parameter-Efficient Fine-Tuning (PEFT) methods are widely used in FL to reduce communication and memory costs, they often sacrifice model performance compared to FFT. This paper proposes FedKRSO (Federated $K$-Seed Random Subspace Optimization), a novel method that enables communication and memory efficient FFT of LLMs in federated settings. In FedKRSO, clients update the model within a shared set of random low-dimension subspaces generated by the server to save memory usage. Furthermore, instead of transmitting full model parameters in each FL round, clients send only the model update accumulators along the subspaces to the server, enabling efficient global model aggregation and dissemination. By using these strategies, FedKRSO can substantially reduce communication and memory overhead while overcoming the performance limitations of PEFT, closely approximating the performance of federated FFT. The convergence properties of FedKRSO are analyzed rigorously under general FL settings. Extensive experiments on the GLUE benchmark across diverse FL scenarios demonstrate that FedKRSO achieves both superior performance and low communication and memory overhead, paving the way towards on federated LLM fine-tuning at the resource-constrained edge.
Authors: Junchao Lin, Zenan Ling, Jingwen Xu, Robert C. Qiu
Abstract: Deep Equilibrium Models (DEQs) have emerged as a powerful paradigm in deep learning, offering the ability to model infinite-depth networks with constant memory usage. However, DEQs incur significant inference latency due to the iterative nature of fixed-point solvers. In this work, we introduce the Consistency Deep Equilibrium Model (C-DEQ), a novel framework that leverages consistency distillation to accelerate DEQ inference. We cast the DEQ iterative inference process as evolution along a fixed ODE trajectory toward the equilibrium. Along this trajectory, we train C-DEQs to consistently map intermediate states directly to the fixed point, enabling few-step inference while preserving the performance of the teacher DEQ. At the same time, it facilitates multi-step evaluation to flexibly trade computation for performance gains. Extensive experiments across various domain tasks demonstrate that C-DEQs achieves consistent 2-20$\times$ accuracy improvements over implicit DEQs under the same few-step inference budget.
Authors: Salim Khazem
Abstract: Early-exit networks reduce inference cost by allowing ``easy'' inputs to stop early, but practical deployment hinges on knowing \emph{when} early exit is safe. We introduce SAFE-KD, a universal multi-exit wrapper for modern vision backbones that couples hierarchical distillation with \emph{conformal risk control}. SAFE-KD attaches lightweight exit heads at intermediate depths, distills a strong teacher into all exits via Decoupled Knowledge Distillation (DKD), and enforces deep-to-shallow consistency between exits. At inference, we calibrate per-exit stopping thresholds on a held-out set using conformal risk control (CRC) to guarantee a user-specified \emph{selective} misclassification risk (among the samples that exit early) under exchangeability. Across multiple datasets and architectures, SAFE-KD yields improved accuracy compute trade-offs, stronger calibration, and robust performance under corruption while providing finite-sample risk guarantees.
Authors: Bo Yuan, Zelin Zhao, Petr Molodyk, Bin Hu, Yongxin Chen
Abstract: Large language models have recently enabled text-to-CAD systems that synthesize parametric CAD programs (e.g., CadQuery) from natural language prompts. In practice, however, geometric descriptions can be under-specified or internally inconsistent: critical dimensions may be missing and constraints may conflict. Existing fine-tuned models tend to reactively follow user instructions and hallucinate dimensions when the text is ambiguous. To address this, we propose a proactive agentic framework for text-to-CadQuery generation, named ProCAD, that resolves specification issues before code synthesis. Our framework pairs a proactive clarifying agent, which audits the prompt and asks targeted clarification questions only when necessary to produce a self-consistent specification, with a CAD coding agent that translates the specification into an executable CadQuery program. We fine-tune the coding agent on a curated high-quality text-to-CadQuery dataset and train the clarifying agent via agentic SFT on clarification trajectories. Experiments show that proactive clarification significantly improves robustness to ambiguous prompts while keeping interaction overhead low. ProCAD outperforms frontier closed-source models, including Claude Sonnet 4.5, reducing the mean Chamfer distance by 79.9 percent and lowering the invalidity ratio from 4.8 percent to 0.9 percent. Our code and datasets will be made publicly available.
Authors: Zhiyuan Yao, Yi-Kai Zhang, Yuxin Chen, Yueqing Sun, Zishan Xu, Yu Yang, Tianhao Hu, Qi Gu, Hui Su, Xunliang Cai
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a key approach for enhancing LLM reasoning.However, standard frameworks like Group Relative Policy Optimization (GRPO) typically employ a uniform rollout budget, leading to resource inefficiency. Moreover, existing adaptive methods often rely on instance-level metrics, such as task pass rates, failing to capture the model's dynamic learning state. To address these limitations, we propose CoBA-RL, a reinforcement learning algorithm designed to adaptively allocate rollout budgets based on the model's evolving capability. Specifically, CoBA-RL utilizes a Capability-Oriented Value function to map tasks to their potential training gains and employs a heap-based greedy strategy to efficiently self-calibrate the distribution of computational resources to samples with high training value. Extensive experiments demonstrate that our approach effectively orchestrates the trade-off between exploration and exploitation, delivering consistent generalization improvements across multiple challenging benchmarks. These findings underscore that quantifying sample training value and optimizing budget allocation are pivotal for advancing LLM post-training efficiency.
Authors: Yueheng Wang, Xing He, Zinuo Cai, Rui Zhang, Ruhui Ma, Yuan Liu, Rajkumar Buyya
Abstract: Federated learning enables collaborative model training across decentralized clients under privacy constraints. Quantum computing offers potential for alleviating computational and communication burdens in federated learning, yet hybrid classical-quantum federated learning remains susceptible to performance degradation under non-IID data. To address this,we propose FEDCOMPASS, a layered aggregation framework for hybrid classical-quantum federated learning. FEDCOMPASS employs spectral clustering to group clients by class distribution similarity and performs cluster-wise aggregation for classical feature extractors. For quantum parameters, it uses circular mean aggregation combined with adaptive optimization to ensure stable global updates. Experiments on three benchmark datasets show that FEDCOMPASS improves test accuracy by up to 10.22% and enhances convergence stability under non-IID settings, outperforming six strong federated learning baselines.
Authors: Zihan Dong, Zhixian Zhang, Yang Zhou, Can Jin, Ruijia Wu, Linjun Zhang
Abstract: Evaluating mathematical reasoning in LLMs is constrained by limited benchmark sizes and inherent model stochasticity, yielding high-variance accuracy estimates and unstable rankings across platforms. On difficult problems, an LLM may fail to produce a correct final answer, yet still provide reliable pairwise comparison signals indicating which of two candidate solutions is better. We leverage this observation to design a statistically efficient evaluation framework that combines standard labeled outcomes with pairwise comparison signals obtained by having models judge auxiliary reasoning chains. Treating these comparison signals as control variates, we develop a semiparametric estimator based on the efficient influence function (EIF) for the setting where auxiliary reasoning chains are observed. This yields a one-step estimator that achieves the semiparametric efficiency bound, guarantees strict variance reduction over naive sample averaging, and admits asymptotic normality for principled uncertainty quantification. Across simulations, our one-step estimator substantially improves ranking accuracy, with gains increasing as model output noise grows. Experiments on GPQA Diamond, AIME 2025, and GSM8K further demonstrate more precise performance estimation and more reliable model rankings, especially in small-sample regimes where conventional evaluation is pretty unstable.
Authors: Jinwoo Lim, Suhyun Kim, Soo-Mook Moon
Abstract: One of the chronic problems of deep-learning models is shortcut learning. In a case where the majority of training data are dominated by a certain feature, neural networks prefer to learn such a feature even if the feature is not generalizable outside the training set. Based on the framework of Neural Tangent Kernel (NTK), we analyzed the case of linear neural networks to derive some important properties of shortcut learning. We defined a feature of a neural network as an eigenfunction of NTK. Then, we found that shortcut features correspond to features with larger eigenvalues when the shortcuts stem from the imbalanced number of samples in the clustered distribution. We also showed that the features with larger eigenvalues still have a large influence on the neural network output even after training, due to data variances in the clusters. Such a preference for certain features remains even when a margin of a neural network output is controlled, which shows that the max-margin bias is not the only major reason for shortcut learning. These properties of linear neural networks are empirically extended for more complex neural networks as a two-layer fully-connected ReLU network and a ResNet-18.
Authors: Felix X. -F. Ye, Xingjie Li, An Yu, Ming-Ching Chang, Linsong Chu, Davis Wertheimer
Abstract: Entropic optimal transport (EOT) via Sinkhorn iterations is widely used in modern machine learning, yet GPU solvers remain inefficient at scale. Tensorized implementations suffer quadratic HBM traffic from dense $n\times m$ interactions, while existing online backends avoid storing dense matrices but still rely on generic tiled map-reduce reduction kernels with limited fusion. We present \textbf{FlashSinkhorn}, an IO-aware EOT solver for squared Euclidean cost that rewrites stabilized log-domain Sinkhorn updates as row-wise LogSumExp reductions of biased dot-product scores, the same normalization as transformer attention. This enables FlashAttention-style fusion and tiling: fused Triton kernels stream tiles through on-chip SRAM and update dual potentials in a single pass, substantially reducing HBM IO per iteration while retaining linear-memory operations. We further provide streaming kernels for transport application, enabling scalable first- and second-order optimization. On A100 GPUs, FlashSinkhorn achieves up to $32\times$ forward-pass and $161\times$ end-to-end speedups over state-of-the-art online baselines on point-cloud OT, improves scalability on OT-based downstream tasks. For reproducibility, we release an open-source implementation at https://github.com/ot-triton-lab/ot_triton.
Authors: Rana Muhammad Shahroz Khan, Zijie Liu, Zhen Tan, Charles Fleming, Tianlong Chen
Abstract: Reinforcement Learning (RL) and Supervised Fine-Tuning (SFT) are the two dominant paradigms for enhancing Large Language Model (LLM) performance on downstream tasks. While RL generally preserves broader model capabilities (retention) better than SFT, it comes with significant costs: complex reward engineering, instability, and expensive on-policy sampling. In contrast, SFT is efficient but brittle, often suffering from catastrophic forgetting due to $\textbf{Supervision Mismatch}$: the divergence between the model's evolving policy and static training labels. We address this trade-off with $\textbf{Trajectory-Mixed Supervision (TMS)}$, a reward-free framework that approximates the on-policy benefits of RL by creating a dynamic curriculum from the model's own historical checkpoints. TMS minimizes $\textit{Policy-Label Divergence (PLD)}$, preventing the mode collapse that drives forgetting in standard SFT. Experiments across reasoning (MATH, GSM8K) and instruction-following benchmarks demonstrate that TMS effectively shifts the accuracy--retention Pareto frontier. While RL remains the gold standard for retention, TMS significantly outperforms standard and iterative SFT, bridging the gap to RL without requiring reward models or verifiers. Mechanistic analysis confirms that PLD drift accurately predicts forgetting and that TMS successfully mitigates this drift.
Authors: Karthik Elamvazhuthi, Shiba Biswal, Kian Rosenblum, Arushi Katyal, Tianli Qu, Grady Ma, Rishi Sonthalia
Abstract: Preserving geometric structure is important in learning. We propose a unified class of geometry-aware architectures that interleave geometric updates between layers, where both projection layers and intrinsic exponential map updates arise as discretizations of projected dynamical systems on manifolds (with or without boundary). Within this framework, we establish universal approximation results for constrained neural ODEs. We also analyze architectures that enforce geometry only at the output, proving a separate universal approximation property that enables direct comparison to interleaved designs. When the constraint set is unknown, we learn projections via small-time heat-kernel limits, showing diffusion/flow-matching can be used as data-based projections. Experiments on dynamics over S^2 and SO(3), and diffusion on S^{d-1}-valued features demonstrate exact feasibility for analytic updates and strong performance for learned projections
Authors: Jiayao Mai, Bangyan Liao, Zhenjun Zhao, Yingping Zeng, Haoang Li, Javier Civera, Tailin Wu, Yi Zhou, Peidong Liu
Abstract: The Homotopy paradigm, a general principle for solving challenging problems, appears across diverse domains such as robust optimization, global optimization, polynomial root-finding, and sampling. Practical solvers for these problems typically follow a predictor-corrector (PC) structure, but rely on hand-crafted heuristics for step sizes and iteration termination, which are often suboptimal and task-specific. To address this, we unify these problems under a single framework, which enables the design of a general neural solver. Building on this unified view, we propose Neural Predictor-Corrector (NPC), which replaces hand-crafted heuristics with automatically learned policies. NPC formulates policy selection as a sequential decision-making problem and leverages reinforcement learning to automatically discover efficient strategies. To further enhance generalization, we introduce an amortized training mechanism, enabling one-time offline training for a class of problems and efficient online inference on new instances. Experiments on four representative homotopy problems demonstrate that our method generalizes effectively to unseen instances. It consistently outperforms classical and specialized baselines in efficiency while demonstrating superior stability across tasks, highlighting the value of unifying homotopy methods into a single neural framework.
Authors: Yujie Yang
Abstract: We propose PRISM, an optimizer that enhances first-order spectral descent methods like Muon with partial second-order information. It constructs an efficient, low-rank quasi-second-order preconditioner via innovation-augmented polar decomposition. This mechanism enables PRISM to perform anisotropic spectral shaping, which adaptively suppresses updates in high-variance subspaces while preserving update strength in signal-dominated directions. Crucially, this is achieved with minimal computational overhead and zero additional memory compared to first-order baselines. PRISM demonstrates a practical strategy for integrating curvature-adaptive properties into the spectral optimization paradigm.
Authors: Soyeon Hong, Jinchan Kim, Jaegook You, Seungtaek Choi, Suha Kwak, Hyunsouk Cho
Abstract: Expanding multimodal representations to novel modalities is constrained by reliance on large-scale paired datasets (e.g., text-image, text-audio, text-3D, text-molecule), which are costly and often infeasible in domains requiring expert annotation such as medical imaging and molecular analysis. We introduce TextME, the first text-only modality expansion framework, to the best of our knowledge, projecting diverse modalities into LLM embedding space as a unified anchor. Our approach exploits the geometric structure of pretrained contrastive encoders to enable zero-shot cross-modal transfer using only text descriptions, without paired supervision. We empirically validate that such consistent modality gaps exist across image, video, audio, 3D, X-ray, and molecular domains, demonstrating that text-only training can preserve substantial performance of pretrained encoders. We further show that our framework enables emergent cross-modal retrieval between modality pairs not explicitly aligned during training (e.g., audio-to-image, 3D-to-image). These results establish text-only training as a practical alternative to paired supervision for modality expansion.
Authors: Yuki Ichihara, Yuu Jinnai, Kaito Ariu, Eiji Uchibe
Abstract: Many strong decoding methods for text generation follow a sample-and-rerank paradigm: they draw multiple candidates, score each under a utility (reward) function using consensus across samples, and return the best one. Although effective, these methods incur high computational costs during inference due to repeated sampling and scoring. Prior attempts to amortize inference-time computation typically rely on gold references, teacher labels, or curated preference data, increasing dataset construction effort and the demand for high-fidelity reward models. We propose Consensus Group Relative Policy Optimization (C-GRPO), which distills Minimum Bayes Risk (MBR) decoding into training by formulating the consensus utility as a group-relative objective within GRPO. C-GRPO requires only a utility function and policy samples, without gold references or explicit preference labels. Under ideal conditions, we show that the objective function of C-GRPO is directionally aligned with the gradient of the expected-utility objective underlying MBR decoding, leading to a convergence guarantee. Experiments on machine translation (WMT 2024) and text summarization (XSum) demonstrate that C-GRPO successfully achieves performance comparable to MBR decoding without the associated inference-time overhead, while outperforming reference-free baseline methods.
Authors: Pengcheng Hao, Huaze Tang, Ercan Engin Kuruoglu, Wenbo Ding
Abstract: Bayesian deep learning (BDL) provides a principled framework for reliable uncertainty quantification by combining deep neural networks with Bayesian inference. A central challenge in BDL lies in the design of informative prior distributions that scale effectively to high-dimensional data. Recent functional variational inference (VI) approaches address this issue by imposing priors directly in function space; however, most existing methods rely on Gaussian process (GP) priors, whose expressiveness and generalisation capabilities become limited in high-dimensional regimes. In this work, we propose VLM-FS-EB, a novel function-space empirical Bayes regularisation framework, leveraging large vision-language models (VLMs) to generates semantically meaningful context points. These synthetic samples are then used VLMs for embeddings to construct expressive functional priors. Furthermore, the proposed method is evaluated against various baselines, and experimental results demonstrate that our method consistently improves predictive performance and yields more reliable uncertainty estimates, particularly in out-of-distribution (OOD) detection tasks and data-scarce regimes.
Authors: Yinggan Xu, Risto Miikkulainen, Xin Qiu
Abstract: Post-Training Quantization (PTQ) is essential for deploying Large Language Models (LLMs) on memory-constrained devices, yet it renders models static and difficult to fine-tune. Standard fine-tuning paradigms, including Reinforcement Learning (RL), fundamentally rely on backpropagation and high-precision weights to compute gradients. Thus they cannot be used on quantized models, where the parameter space is discrete and non-differentiable. While Evolution Strategies (ES) offer a backpropagation-free alternative, optimization of the quantized parameters can still fail due to vanishing or inaccurate gradient. This paper introduces Quantized Evolution Strategies (QES), an optimization paradigm that performs full-parameter fine-tuning directly in the quantized space. QES is based on two innovations: (1) it integrates accumulated error feedback to preserve high-precision gradient signals, and (2) it utilizes a stateless seed replay to reduce memory usage to low-precision inference levels. QES significantly outperforms the state-of-the-art zeroth-order fine-tuning method on arithmetic reasoning tasks, making direct fine-tuning for quantized models possible. It therefore opens up the possibility for scaling up LLMs entirely in the quantized space. The source code is available at https://github.com/dibbla/Quantized-Evolution-Strategies .
URLs: https://github.com/dibbla/Quantized-Evolution-Strategies
Authors: Timothee Leleu, Sudeera Gunathilaka, Federico Ghimenti, Surya Ganguli
Abstract: Large language Model (LLM)-assisted algorithm discovery is an iterative, black-box optimization process over programs to approximatively solve a target task, where an LLM proposes candidate programs and an external evaluator provides task feedback. Despite intense recent research on the topic and promising results, how can the LLM internal representation of the space of possible programs be maximally exploited to improve performance is an open question. Here, we introduce Contrastive Concept-Tree Search (CCTS), which extracts a hierarchical concept representation from the generated programs and learns a contrastive concept model that guides parent selection. By reweighting parents using a likelihood-ratio score between high- and low-performing solutions, CCTS biases search toward useful concept combinations and away from misleading ones, providing guidance through an explicit concept hierarchy rather than the algorithm lineage constructed by the LLM. We show that CCTS improves search efficiency over fitness-based baselines and produces interpretable, task-specific concept trees across a benchmark of open Erd\H{o}s-type combinatorics problems. Our analysis indicates that the gains are driven largely by learning which concepts to avoid. We further validate these findings in a controlled synthetic algorithm-discovery environment, which reproduces qualitatively the search dynamics observed with the LLMs.
Authors: Xinyue Pan, Yujia Xu, Benoit Montreuil
Abstract: The rapid expansion of online shopping has increased the demand for timely parcel delivery, compelling logistics service providers to enhance the efficiency, agility, and predictability of their hub networks. In order to solve the problem, we propose a novel deep learning-based ensemble framework that leverages historical arrival patterns and real-time parcel status updates to forecast upcoming workloads at logistic hubs. This approach not only facilitates the generation of short-term forecasts, but also improves the accuracy of future hub workload predictions for more strategic planning and resource management. Empirical tests of the algorithm, conducted through a case study of a major city's parcel logistics, demonstrate the ensemble method's superiority over both traditional forecasting techniques and standalone deep learning models. Our findings highlight the significant potential of this method to improve operational efficiency in logistics hubs and advocate for its broader adoption.
Authors: Sampad Mohanty, Bhaskar Krishnamachari
Abstract: Traffic-density matrices from different days exhibit both low rank and stable correlations in their singular-vector subspaces. Leveraging this, we introduce SATORIS-N, a framework for imputing partially observed traffic-density by informed subspace priors from neighboring days. Our contribution is a subspace-aware semidefinite programming (SDP)} formulation of nuclear norm that explicitly informs the reconstruction with prior singular-subspace information. This convex formulation jointly enforces low rank and subspace alignment, providing a single global optimum and substantially improving accuracy under medium and high occlusion. We also study a lightweight implicit subspace-alignment} strategy in which matrices from consecutive days are concatenated to encourage alignment of spatial or temporal singular directions. Although this heuristic offers modest gains when missing rates are low, the explicit SDP approach is markedly more robust when large fractions of entries are missing. Across two real-world datasets (Beijing and Shanghai), SATORIS-N consistently outperforms standard matrix-completion methods such as SoftImpute, IterativeSVD, statistical, and even deep learning baselines at high occlusion levels. The framework generalizes to other spatiotemporal settings in which singular subspaces evolve slowly over time. In the context of intelligent vehicles and vehicle-to-everything (V2X) systems, accurate traffic-density reconstruction enables critical applications including cooperative perception, predictive routing, and vehicle-to-infrastructure (V2I) communication optimization. When infrastructure sensors or vehicle-reported observations are incomplete - due to communication dropouts, sensor occlusions, or sparse connected vehicle penetration-reliable imputation becomes essential for safe and efficient autonomous navigation.
Authors: Baohao Liao, Hanze Dong, Xinxing Xu, Christof Monz, Jiang Bian
Abstract: Group Relative Policy Optimization (GRPO) has recently emerged as a practical recipe for aligning large language models with verifiable objectives. However, under sparse terminal rewards, GRPO often stalls because rollouts within a group frequently receive identical rewards, causing relative advantages to collapse and updates to vanish. We propose self-hint aligned GRPO with privileged supervision (SAGE), an on-policy reinforcement learning framework that injects privileged hints during training to reshape the rollout distribution under the same terminal verifier reward. For each prompt $x$, the model samples a compact hint $h$ (e.g., a plan or decomposition) and then generates a solution $\tau$ conditioned on $(x,h)$. Crucially, the task reward $R(x,\tau)$ is unchanged; hints only increase within-group outcome diversity under finite sampling, preventing GRPO advantages from collapsing under sparse rewards. At test time, we set $h=\varnothing$ and deploy the no-hint policy without any privileged information. Moreover, sampling diverse self-hints serves as an adaptive curriculum that tracks the learner's bottlenecks more effectively than fixed hints from an initial policy or a stronger external model. Experiments over 6 benchmarks with 3 LLMs show that SAGE consistently outperforms GRPO, on average +2.0 on Llama-3.2-3B-Instruct, +1.2 on Qwen2.5-7B-Instruct and +1.3 on Qwen3-4B-Instruct. The code is available at https://github.com/BaohaoLiao/SAGE.
Authors: Fanxiao Wani Qiu, Oscar Leong, Alexander LaTourrette
Abstract: Teaching requires distilling a rich category distribution into a small set of informative exemplars. Although prior work shows that humans consider both representativeness and diversity when teaching, the computational principles underlying these tradeoffs remain unclear. We address this gap by modeling human exemplar selection using neural network feature representations and principled subset selection criteria. Novel visual categories were embedded along a one-dimensional morph continuum using pretrained vision models, and selection strategies varied in their emphasis on prototypicality, joint representativeness, and diversity. Adult participants selected one to three exemplars to teach a learner. Model-human comparisons revealed that strategies based on joint representativeness, or its combination with diversity, best captured human judgments, whereas purely prototypical or diversity-based strategies performed worse. Moreover, transformer-based representations consistently aligned more closely with human behavior than convolutional networks. These results highlight the potential utility of dataset distillation methods in machine learning as computational models for teaching.
Authors: Xiaoyu Tao, Mingyue Cheng, Ze Guo, Shuo Yu, Yaguo Liu, Qi Liu, Shijin Wang
Abstract: Time series forecasting (TSF) plays a critical role in decision-making for many real-world applications. Recently, LLM-based forecasters have made promising advancements. Despite their effectiveness, existing methods often lack explicit experience accumulation and continual evolution. In this work, we propose MemCast, a learning-to-memory framework that reformulates TSF as an experience-conditioned reasoning task. Specifically, we learn experience from the training set and organize it into a hierarchical memory. This is achieved by summarizing prediction results into historical patterns, distilling inference trajectories into reasoning wisdom, and inducing extracted temporal features into general laws. Furthermore, during inference, we leverage historical patterns to guide the reasoning process and utilize reasoning wisdom to select better trajectories, while general laws serve as criteria for reflective iteration. Additionally, to enable continual evolution, we design a dynamic confidence adaptation strategy that updates the confidence of individual entries without leaking the test set distribution. Extensive experiments on multiple datasets demonstrate that MemCast consistently outperforms previous methods, validating the effectiveness of our approach. Our code is available at https://github.com/Xiaoyu-Tao/MemCast-TS.
Authors: Zhe Xu
Abstract: Reinforcement learning algorithms often suffer from slow convergence due to sparse reward signals, particularly in complex environments where feedback is delayed or infrequent. This paper introduces the Psychological Regret Model (PRM), a novel approach that accelerates learning by incorporating regret-based feedback signals after each decision step. Rather than waiting for terminal rewards, PRM computes a regret signal based on the difference between the expected value of the optimal action and the value of the action taken in each state. This transforms sparse rewards into dense feedback signals through a step-wise scoring framework, enabling faster convergence. We demonstrate that PRM achieves stable performance approximately 36\% faster than traditional Proximal Policy Optimization (PPO) in benchmark environments such as Lunar Lander. Our results indicate that PRM is particularly effective in continuous control tasks and environments with delayed feedback, making it suitable for real-world applications such as robotics, finance, and adaptive education where rapid policy adaptation is critical. The approach formalizes human-inspired counterfactual thinking as a computable regret signal, bridging behavioral economics and reinforcement learning.
Authors: Prakhar Godara, Frederick Callaway, Marcelo G. Mattar
Abstract: Despite decades of work, we still lack a robust, task-general theory of human behavior even in the simplest domains. In this paper we tackle the generality problem head-on, by aiming to develop a unified model for all tasks embedded in a task-space. In particular we consider the space of binary sequence prediction tasks where the observations are generated by the space parameterized by hidden Markov models (HMM). As the space of tasks is large, experimental exploration of the entire space is infeasible. To solve this problem we propose the adversarial construction approach, which helps identify tasks that are most likely to elicit a qualitatively novel behavior. Our results suggest that adversarial construction significantly outperforms random sampling of environments and therefore could be used as a proxy for optimal experimental design in high-dimensional task spaces.
Authors: Ming Shi
Abstract: We study an online resource-selection problem motivated by multi-radio access selection and mobile edge computing offloading. In each round, an agent chooses among $K$ candidate links/servers (arms) whose performance is a stochastic $d$-dimensional vector (e.g., throughput, latency, energy, reliability). The key interaction is \emph{probe-then-commit (PtC)}: the agent may probe up to $q>1$ candidates via control-plane measurements to observe their vector outcomes, but must execute exactly one candidate in the data plane. This limited multi-arm feedback regime strictly interpolates between classical bandits ($q=1$) and full-information experts ($q=K$), yet existing multi-objective learning theory largely focuses on these extremes. We develop \textsc{PtC-P-UCB}, an optimistic probe-then-commit algorithm whose technical core is frontier-aware probing under uncertainty in a Pareto mode, e.g., it selects the $q$ probes by approximately maximizing a hypervolume-inspired frontier-coverage potential and commits by marginal hypervolume gain to directly expand the attained Pareto region. We prove a dominated-hypervolume frontier error of $\tilde{O} (K_P d/\sqrt{qT})$, where $K_P$ is the Pareto-frontier size and $T$ is the horizon, and scalarized regret $\tilde{O} (L_\phi d\sqrt{(K/q)T})$, where $\phi$ is the scalarizer. These quantify a transparent $1/\sqrt{q}$ acceleration from limited probing. We further extend to \emph{multi-modal probing}: each probe returns $M$ modalities (e.g., CSI, queue, compute telemetry), and uncertainty fusion yields variance-adaptive versions of the above bounds via an effective noise scale.
Authors: Jiancai Ye, Jun Liu, Qingchen Li, Tianlang Zhao, Hanbin Zhang, Jiayi Pan, Ningyi Xu, Guohao Dai
Abstract: Although Key-Value (KV) Cache is essential for efficient large language models (LLMs) inference, its growing memory footprint in long-context scenarios poses a significant bottleneck, making KVCache compression crucial. Current compression methods rely on rigid splitting strategies, such as fixed intervals or pre-defined delimiters. We observe that rigid splitting suffers from significant accuracy degradation (ranging from 5.5% to 55.1%) across different scenarios, owing to the scenario-dependent nature of the semantic boundaries. This highlights the necessity of dynamic semantic splitting to match semantics. To achieve this, we face two challenges. (1) Improper delimiter selection misaligns semantics with the KVCache, resulting in 28.6% accuracy loss. (2) Variable-length blocks after splitting introduce over 73.1% additional inference overhead. To address the above challenges, we propose DynSplit-KV, a KVCache compression method that dynamically identifies delimiters for splitting. We propose: (1) a dynamic importance-aware delimiter selection strategy, improving accuracy by 49.9%. (2) A uniform mapping strategy that transforms variable-length semantic blocks into a fixed-length format, reducing inference overhead by 4.9x. Experiments show that DynSplit-KV achieves the highest accuracy, 2.2x speedup compared with FlashAttention and 2.6x peak memory reduction in long-context scenarios.
Authors: Wenquan Lu, Hai Huang, Randall Balestriero
Abstract: Reinforcement learning algorithms such as group-relative policy optimization (GRPO) have demonstrated strong potential for improving the mathematical reasoning capabilities of large language models. However, prior work has consistently observed an entropy collapse phenomenon during reinforcement post-training, characterized by a monotonic decrease in policy entropy that ultimately leads to training instability and collapse. As a result, most existing approaches restrict training to short horizons (typically 5-20 epochs), limiting sustained exploration and hindering further policy improvement. In addition, nearly all prior work relies on a single, fixed reasoning prompt or template during training. In this work, we introduce prompt augmentation, a training strategy that instructs the model to generate reasoning traces under diverse templates and formats, thereby increasing rollout diversity. We show that, without a KL regularization term, prompt augmentation enables stable scaling of training duration under a fixed dataset and allows the model to tolerate low-entropy regimes without premature collapse. Empirically, a Qwen2.5-Math-1.5B model trained with prompt augmentation on the MATH Level 3-5 dataset achieves state-of-the-art performance, reaching 44.5 per-benchmark accuracy and 51.3 per-question accuracy on standard mathematical reasoning benchmarks, including AIME24, AMC, MATH500, Minerva, and OlympiadBench. The code and model checkpoints are available at https://github.com/wenquanlu/prompt-augmentation-GRPO.
URLs: https://github.com/wenquanlu/prompt-augmentation-GRPO.
Authors: Jing-Cheng Pang, Liang Lu, Xian Tang, Kun Jiang, Sijie Wu, Kai Zhang, Xubin Li
Abstract: Reinforcement learning (RL) has emerged as a key paradigm for aligning and optimizing large language models (LLMs). Standard approaches treat the LLM as the policy and apply RL directly over the full vocabulary space. However, this formulation includes the massive tail of contextually irrelevant tokens in the action space, which could distract the policy from focusing on decision-making among the truly reasonable tokens. In this work, we verify that valid reasoning paths could inherently concentrate within a low-rank subspace. Based on this insight, we introduce Reinforcement Learning with Promising Tokens (RLPT), a framework that mitigates the action space issue by decoupling strategic decision-making from token generation. Specifically, RLPT leverages the semantic priors of the base model to identify a dynamic set of \emph{promising tokens} and constrains policy optimization exclusively to this refined subset via masking. Theoretical analysis and empirical results demonstrate that RLPT effectively reduces gradient variance, stabilizes the training process, and improves sample efficiency. Experiment results on math, coding, and telecom reasoning show that RLPT outperforms standard RL baselines and integrates effectively across various model sizes (4B and 8B) and RL algorithms (GRPO and DAPO).
Authors: Yao-Hui Li, Zeyu Wang, Xin Li, Wei Pang, Yingfang Yuan, Zhengkun Chen, Boya Zhang, Riashat Islam, Alex Lamb, Yonggang Zhang
Abstract: Model-based reinforcement learning (MBRL) achieves high sample efficiency by simulating future trajectories with learned dynamics and reward models. However, its effectiveness is severely compromised in sparse reward settings. The core limitation lies in the standard paradigm of regressing ground-truth scalar rewards: in sparse environments, this yields a flat, gradient-free landscape that fails to provide directional guidance for planning. To address this challenge, we propose Shaping Landscapes with Optimistic Potential Estimates (SLOPE), a novel framework that shifts reward modeling from predicting scalars to constructing informative potential landscapes. SLOPE employs optimistic distributional regression to estimate high-confidence upper bounds, which amplifies rare success signals and ensures sufficient exploration gradients. Evaluations on 30+ tasks across 5 benchmarks demonstrate that SLOPE consistently outperforms leading baselines in fully sparse, semi-sparse, and dense rewards.
Authors: Ye Su, Huayi Tang, Zixuan Gong, Yong Liu
Abstract: While Mixture-of-Experts (MoE) architectures define the state-of-the-art, their theoretical success is often attributed to heuristic efficiency rather than geometric expressivity. In this work, we present the first analysis of MoE through the lens of tropical geometry, establishing that the Top-$k$ routing mechanism is algebraically isomorphic to the $k$-th elementary symmetric tropical polynomial. This isomorphism partitions the input space into the Normal Fan of a Hypersimplex, revealing that \textbf{sparsity is combinatorial depth} which scales geometric capacity by the binomial coefficient $\binom{N}{k}$. Moving beyond ambient bounds, we introduce the concept of \textit{Effective Capacity} under the Manifold Hypothesis. We prove that while dense networks suffer from capacity collapse on low-dimensional data, MoE architectures exhibit \textit{Combinatorial Resilience}, maintaining high expressivity via the transversality of routing cones. In this study, our framework unifies the discrete geometry of the Hypersimplex with the continuous geometry of neural functions, offering a rigorous theoretical justification for the topological supremacy of conditional computation.
Authors: Jinyan Ye, Zhongjie Duan, Zhiwen Li, Cen Chen, Daoyuan Chen, Yaliang Li, Yingda Chen
Abstract: Inference-time scaling offers a versatile paradigm for aligning visual generative models with downstream objectives without parameter updates. However, existing approaches that optimize the high-dimensional initial noise suffer from severe inefficiency, as many search directions exert negligible influence on the final generation. We show that this inefficiency is closely related to a spectral bias in generative dynamics: model sensitivity to initial perturbations diminishes rapidly as frequency increases. Building on this insight, we propose Spectral Evolution Search (SES), a plug-and-play framework for initial noise optimization that executes gradient-free evolutionary search within a low-frequency subspace. Theoretically, we derive the Spectral Scaling Prediction from perturbation propagation dynamics, which explains the systematic differences in the impact of perturbations across frequencies. Extensive experiments demonstrate that SES significantly advances the Pareto frontier of generation quality versus computational cost, consistently outperforming strong baselines under equivalent budgets.
Authors: Yeongmin Kim, Donghyeok Shin, Byeonghu Na, Minsang Park, Richard Lee Kim, Il-Chul Moon
Abstract: Diffusion models have demonstrated strong generative performance; however, generated samples often fail to fully align with human intent. This paper studies a test-time scaling method that enables sampling from regions with higher human-aligned reward values. Existing gradient guidance methods approximate the expected future reward (EFR) at an intermediate particle $\mathbf{x}_t$ using a Taylor approximation, but this approximation at each time step incurs high computational cost due to sequential neural backpropagation. We show that the EFR at any $\mathbf{x}_t$ can be computed using only marginal samples from a pre-trained diffusion model. The proposed EFR formulation detaches the neural dependency between $\mathbf{x}_t$ and the EFR, enabling closed-form guidance computation without neural backpropagation. To further improve efficiency, we introduce lookahead sampling to collect marginal samples. For final sample generation, we use an accurate solver that guides particles toward high-reward lookahead samples. We refer to this sampling scheme as LiDAR sampling. LiDAR achieves substantial performance improvements using only three samples with a 3-step lookahead solver, exhibiting steep performance gains as lookahead accuracy and sample count increase; notably, it reaches the same GenEval performance as the latest gradient guidance method for SDXL with a 9.5x speedup.
Authors: May Kristine Jonson Carlon, Su Myat Noe, Haojiong Wang, Yasuo Kuniyoshi
Abstract: Understanding how local interactions give rise to global brain organization requires models that can represent information across multiple scales. We introduce a hierarchical self-supervised learning (SSL) framework that jointly learns node-, edge-, and graph-level embeddings, inspired by multimodal neuroimaging. We construct a controllable synthetic benchmark mimicking the topological properties of connectomes. Our four-stage evaluation protocol reveals a critical failure: the invariance-based SSL model is fundamentally misaligned with the benchmark's topological properties and is catastrophically outperformed by classical, topology-aware heuristics. Ablations confirm an objective mismatch: SSL objectives designed to be invariant to topological perturbations learn to ignore the very community structure that classical methods exploit. Our results expose a fundamental pitfall in applying generic graph SSL to connectome-like data. We present this framework as a cautionary case study, highlighting the need for new, topology-aware SSL objectives for neuro-AI research that explicitly reward the preservation of structure (e.g., modularity or motifs).
Authors: Paul Brunzema, Sebastian Trimpe
Abstract: We introduce BayeSQP, a novel algorithm for general black-box optimization that merges the structure of sequential quadratic programming with concepts from Bayesian optimization. BayeSQP employs second-order Gaussian process surrogates for both the objective and constraints to jointly model the function values, gradients, and Hessian from only zero-order information. At each iteration, a local subproblem is constructed using the GP posterior estimates and solved to obtain a search direction. Crucially, the formulation of the subproblem explicitly incorporates uncertainty in both the function and derivative estimates, resulting in a tractable second-order cone program for high probability improvements under model uncertainty. A subsequent one-dimensional line search via constrained Thompson sampling selects the next evaluation point. Empirical results show thatBayeSQP outperforms state-of-the-art methods in specific high-dimensional settings. Our algorithm offers a principled and flexible framework that bridges classical optimization techniques with modern approaches to black-box optimization.
Authors: Yuxuan Yao, Haonan Sheng, Qingsong Lv, Han Wu, Shuqi Liu, Zehua Liu, Zengyan Liu, Jiahui Gao, Haochen Tan, Xiaojin Fu, Haoli Bai, Hing Cheung So, Zhijiang Guo, Linqi Song
Abstract: The escalating scale of Large Language Models (LLMs) necessitates efficient adaptation techniques. Model merging has gained prominence for its efficiency and controllability. However, existing merging techniques typically serve as post-hoc refinements or focus on mitigating task interference, often failing to capture the dynamic optimization benefits of supervised fine-tuning (SFT). In this work, we propose Streaming Merging, an innovative model updating paradigm that conceptualizes merging as an iterative optimization process. Central to this paradigm is \textbf{ARM} (\textbf{A}ctivation-guided \textbf{R}otation-aware \textbf{M}erging), a strategy designed to approximate gradient descent dynamics. By treating merging coefficients as learning rates and deriving rotation vectors from activation subspaces, ARM effectively steers parameter updates along data-driven trajectories. Unlike conventional linear interpolation, ARM aligns semantic subspaces to preserve the geometric structure of high-dimensional parameter evolution. Remarkably, ARM requires only early SFT checkpoints and, through iterative merging, surpasses the fully converged SFT model. Experimental results across model scales (1.7B to 14B) and diverse domains (e.g., math, code) demonstrate that ARM can transcend converged checkpoints. Extensive experiments show that ARM provides a scalable and lightweight framework for efficient model adaptation.
Authors: Yikang Yang, Zhengxin Yang, Minghao Luo, Luzhou Peng, Hongxiao Li, Wanling Gao, Lei Wang, Jianfeng Zhan
Abstract: Finding frequently occurring subgraph patterns or network motifs in neural architectures is crucial for optimizing efficiency, accelerating design, and uncovering structural insights. However, as the subgraph size increases, enumeration-based methods are perfectly accurate but computationally prohibitive, while sampling-based methods are computationally tractable but suffer from a severe decline in discovery capability. To address these challenges, this paper proposes GraDE, a diffusion-guided search framework that ensures both computational feasibility and discovery capability. The key innovation is the Graph Diffusion Estimator (GraDE), which is the first to introduce graph diffusion models to identify frequent subgraphs by scoring their typicality within the learned distribution. Comprehensive experiments demonstrate that the estimator achieves superior ranking accuracy, with up to 114\% improvement compared to sampling-based baselines. Benefiting from this, the proposed framework successfully discovers large-scale frequent patterns, achieving up to 30$\times$ higher median frequency than sampling-based methods.
Authors: Hicham Eddoubi, Umar Faruk Abdullahi, Fadi Hassan
Abstract: Large Language Models (LLMs) have seen widespread adoption across multiple domains, creating an urgent need for robust safety alignment mechanisms. However, robustness remains challenging due to jailbreak attacks that bypass alignment via adversarial prompts. In this work, we focus on the prevalent Greedy Coordinate Gradient (GCG) attack and identify a previously underexplored attack axis in jailbreak attacks typically framed as suffix-based: the placement of adversarial tokens within the prompt. Using GCG as a case study, we show that both optimizing attacks to generate prefixes instead of suffixes and varying adversarial token position during evaluation substantially influence attack success rates. Our findings highlight a critical blind spot in current safety evaluations and underline the need to account for the position of adversarial tokens in the adversarial robustness evaluation of LLMs.
Authors: Guanzong Wu, Zihao Zhu, Siwei Lyu, Baoyuan Wu
Abstract: Detecting toxicity in multimodal data remains a significant challenge, as harmful meanings often lurk beneath seemingly benign individual modalities: only emerging when modalities are combined and semantic associations are activated. To address this, we propose a novel detection framework based on Toxicity Association Graphs (TAGs), which systematically model semantic associations between innocuous entities and latent toxic implications. Leveraging TAGs, we introduce the first quantifiable metric for hidden toxicity, the Multimodal Toxicity Covertness (MTC), which measures the degree of concealment in toxic multimodal expressions. By integrating our detection framework with the MTC metric, our approach enables precise identification of covert toxicity while preserving full interpretability of the decision-making process, significantly enhancing transparency in multimodal toxicity detection. To validate our method, we construct the Covert Toxic Dataset, the first benchmark specifically designed to capture high-covertness toxic multimodal instances. This dataset encodes nuanced cross-modal associations and serves as a rigorous testbed for evaluating both the proposed metric and detection framework. Extensive experiments demonstrate that our approach outperforms existing methods across both low- and high-covertness toxicity regimes, while delivering clear, interpretable, and auditable detection outcomes. Together, our contributions advance the state of the art in explainable multimodal toxicity detection and lay the foundation for future context-aware and interpretable approaches. Content Warning: This paper contains examples of toxic multimodal content that may be offensive or disturbing to some readers. Reader discretion is advised.
Authors: Haixia Liu, Yi Ding
Abstract: In this paper, we introduce BlockRR, a novel and unified randomized-response mechanism for label differential privacy. This framework generalizes existed RR-type mechanisms as special cases under specific parameter settings, which eliminates the need for separate, case-by-case analysis. Theoretically, we prove that BlockRR satisfies $\epsilon$-label DP. We also design a partition method for BlockRR based on a weight matrix derived from label prior information; the parallel composition principle ensures that the composition of two such mechanisms remains $\epsilon$-label DP. Empirically, we evaluate BlockRR on two variants of CIFAR-10 with varying degrees of class imbalance. Results show that in the high-privacy and moderate-privacy regimes ($\epsilon \leq 3.0$), our propsed method gets a better balance between test accuaracy and the average of per-class accuracy. In the low-privacy regime ($\epsilon \geq 4.0$), all methods reduce BlockRR to standard RR without additional performance loss.
Authors: Andrey Krylov, Maksim Penkin
Abstract: We study universal approximation of continuous functionals on compact subsets of products of Hilbert spaces. We prove that any such functional can be uniformly approximated by models that first take finitely many continuous linear measurements of the inputs and then combine these measurements through continuous scalar nonlinearities. We also extend the approximation principle to maps with values in a Banach space, yielding finite-rank approximations. These results provide a compact-set justification for the common ``measure, apply scalar nonlinearities, then combine'' design pattern used in operator learning and imaging.
Authors: Pritam Kar, Rahul Bordoloi, Olaf Wolkenhauer, Saptarshi Bej
Abstract: Unsupervised anomaly detection stands as an important problem in machine learning, with applications in financial fraud prevention, network security and medical diagnostics. Existing unsupervised anomaly detection algorithms rarely perform well across different anomaly types, often excelling only under specific structural assumptions. This lack of robustness also becomes particularly evident under noisy settings. We propose Mean Shift Density Enhancement (MSDE), a fully unsupervised framework that detects anomalies through their geometric response to density-driven manifold evolution. MSDE is based on the principle that normal samples, being well supported by local density, remain stable under iterative density enhancement, whereas anomalous samples undergo large cumulative displacements as they are attracted toward nearby density modes. To operationalize this idea, MSDE employs a weighted mean-shift procedure with adaptive, sample-specific density weights derived from a UMAP-based fuzzy neighborhood graph. Anomaly scores are defined by the total displacement accumulated across a small number of mean-shift iterations. We evaluate MSDE on the ADBench benchmark, comprising forty six real-world tabular datasets, four realistic anomaly generation mechanisms, and six noise levels. Compared to 13 established unsupervised baselines, MSDE achieves consistently strong, balanced and robust performance for AUC-ROC, AUC-PR, and Precision@n, at several noise levels and on average over several types of anomalies. These results demonstrate that displacement-based scoring provides a robust alternative to the existing state-of-the-art for unsupervised anomaly detection.
Authors: Naoki Sato, Hideaki Iiduka
Abstract: Deep equilibrium models (DEQs) achieve infinitely deep network representations without stacking layers by exploring fixed points of layer transformations in neural networks. Such models constitute an innovative approach that achieves performance comparable to state-of-the-art methods in many large-scale numerical experiments, despite requiring significantly less memory. However, DEQs face the challenge of requiring vastly more computational time for training and inference than conventional methods, as they repeatedly perform fixed-point iterations with no convergence guarantee upon each input. Therefore, this study explored an approach to improve fixed-point convergence and consequently reduce computational time by restructuring the model architecture to guarantee fixed-point convergence. Our proposed approach for image classification, Lipschitz multiscale DEQ, has theoretically guaranteed fixed-point convergence for both forward and backward passes by hyperparameter adjustment, achieving up to a 4.75$\times$ speed-up in numerical experiments on CIFAR-10 at the cost of a minor drop in accuracy.
Authors: Jingyi Zhang, Tianyi Lin, Huanjin Yao, Xiang Lan, Shunyu Liu, Jiaxing Huang
Abstract: In this work, we aim to develop effective data synthesis techniques that autonomously synthesize multimodal training data for enhancing MLLMs in solving complex real-world tasks. To this end, we propose Collective Adversarial Data Synthesis (CADS), a novel and general approach to synthesize high-quality, diverse and challenging multimodal data for MLLMs. The core idea of CADS is to leverage collective intelligence to ensure high-quality and diverse generation, while exploring adversarial learning to synthesize challenging samples for effectively driving model improvement. Specifically, CADS operates with two cyclic phases, i.e., Collective Adversarial Data Generation (CAD-Generate) and Collective Adversarial Data Judgment (CAD-Judge). CAD-Generate leverages collective knowledge to jointly generate new and diverse multimodal data, while CAD-Judge collaboratively assesses the quality of synthesized data. In addition, CADS introduces an Adversarial Context Optimization mechanism to optimize the generation context to encourage challenging and high-value data generation. With CADS, we construct MMSynthetic-20K and train our model R1-SyntheticVL, which demonstrates superior performance on various benchmarks.
Authors: Hyukjun Yang, Han-Dong Lim, Donghwan Lee
Abstract: In reinforcement learning (RL), Q-learning is a fundamental algorithm whose convergence is guaranteed in the tabular setting. However, this convergence guarantee does not hold under linear function approximation. To overcome this limitation, a significant line of research has introduced regularization techniques to ensure stable convergence under function approximation. In this work, we propose a new algorithm, periodic regularized Q-learning (PRQ). We first introduce regularization at the level of the projection operator and explicitly construct a regularized projected value iteration (RP-VI), subsequently extending it to a sample-based RL algorithm. By appropriately regularizing the projection operator, the resulting projected value iteration becomes a contraction. By extending this regularized projection into the stochastic setting, we establish the PRQ algorithm and provide a rigorous theoretical analysis that proves finite-time convergence guarantees for PRQ under linear function approximation.
Authors: Qianyi Xu, Gousia Habib, Feng Wu, Yanrui Du, Zhihui Chen, Swapnil Mishra, Dilruk Perera, Mengling Feng
Abstract: Reinforcement Learning (RL) offers a powerful framework for optimizing dynamic treatment regimes (DTRs). However, clinical RL is fundamentally bottlenecked by reward engineering: the challenge of defining signals that safely and effectively guide policy learning in complex, sparse offline environments. Existing approaches often rely on manual heuristics that fail to generalize across diverse pathologies. To address this, we propose an automated pipeline leveraging Large Language Models (LLMs) for offline reward design and verification. We formulate the reward function using potential functions consisted of three core components: survival, confidence, and competence. We further introduce quantitative metrics to rigorously evaluate and select the optimal reward structure prior to deployment. By integrating LLM-driven domain knowledge, our framework automates the design of reward functions for specific diseases while significantly enhancing the performance of the resulting policies.
Authors: Yuelin Hu, Zhengxue Cheng, Wei Liu, Li Song
Abstract: Hybrid training methods for large language models combine supervised fine tuning (SFT) on expert demonstrations with reinforcement learning (RL) on model rollouts, typically at the sample level. We propose Entropy Gated Selective Policy Optimization (EGSPO), a three stage framework that extends sample level mixing with token level gradient modulation. Stage 1, SFT expert learning, establishes a reliable warm up policy using expert demonstrations with a pure SFT loss. Stage 2, RL rollout generation, samples trajectories from the current policy and computes per token predictive entropy. Stage 3, the EGSPO mechanism, applies entropy gated gradient allocation: a predictive entropy module routes high entropy tokens to full PPO updates to encourage exploration, and low entropy tokens to attenuated PPO updates to reduce variance and preserve knowledge. Critically, both branches incorporate the advantage function A_t, ensuring that incorrect trajectories receive consistent negative learning signals and preventing reinforcement of confident errors. EGSPO achieves consistent improvements on mathematical reasoning benchmarks, with gains of 3.8 percent on AIME and 2.9 percent on MATH over the CHORD phi baseline, while incurring only 3.4 percent additional computational overhead.
Authors: Yixuan Zhang, Zhiyuan Li, Weijia He, Mian Dai, Chen Shen, Teng Long, Hongbin Zhang
Abstract: Target-oriented discovery under limited evaluation budgets requires making reliable progress in high-dimensional, heterogeneous design spaces where each new measurement is costly, whether experimental or high-fidelity simulation. We present an information-theoretic framework for target-oriented adaptive sampling that reframes optimization as trajectory discovery: instead of approximating the full response surface, the method maintains and refines a low-entropy information state that concentrates search on target-relevant directions. The approach couples data, model beliefs, and physics/structure priors through dimension-aware information budgeting, adaptive bootstrapped distillation over a heterogeneous surrogate reservoir, and structure-aware candidate manifold analysis with Kalman-inspired multi-model fusion to balance consensus-driven exploitation and disagreement-driven exploration. Evaluated under a single unified protocol without dataset-specific tuning, the framework improves sample efficiency and reliability across 14 single- and multi-objective materials design tasks spanning candidate pools from $600$ to $4 \times 10^6$ and feature dimensions from $10$ to $10^3$, typically reaching top-performing regions within 100 evaluations. Complementary 20-dimensional synthetic benchmarks (Ackley, Rastrigin, Schwefel) further demonstrate robustness to rugged and multimodal landscapes.
Authors: Renaud Gaucher, Aymeric Dieuleveut, Hadrien Hendrikx
Abstract: Standard federated learning algorithms are vulnerable to adversarial nodes, a.k.a. Byzantine failures. To solve this issue, robust distributed learning algorithms have been developed, which typically replace parameter averaging by robust aggregations. While generic conditions on these aggregations exist to guarantee the convergence of (Stochastic) Gradient Descent (SGD), the analyses remain rather ad-hoc. This hinders the development of more complex robust algorithms, such as accelerated ones. In this work, we show that Byzantine-robust distributed optimization can, under standard generic assumptions, be cast as a general optimization with inexact gradient oracles (with both additive and multiplicative error terms), an active field of research. This allows for instance to directly show that GD on top of standard robust aggregation procedures obtains optimal asymptotic error in the Byzantine setting. Going further, we propose two optimization schemes to speed up the convergence. The first one is a Nesterov-type accelerated scheme whose proof directly derives from accelerated inexact gradient results applied to our formulation. The second one hinges on Optimization under Similarity, in which the server leverages an auxiliary loss function that approximates the global loss. Both approaches allow to drastically reduce the communication complexity compared to previous methods, as we show theoretically and empirically.
Authors: Fanyi Wu, Veronika Lohmanova, Samuel Kaski, Michele Caprio
Abstract: Bayesian posterior predictive densities as non-conformity scores and Bayesian quadrature are used to estimate and minimise the expected prediction set size. Operating within a split conformal framework, BCP provides valid coverage guarantees and demonstrates reliable empirical coverage under model misspecification. Across regression and classification tasks, including distribution-shifted settings such as ImageNet-A, BCP yields prediction sets of comparable size to split conformal prediction, while exhibiting substantially lower run-to-run variability in set size. In sparse regression with nominal coverage of 80 percent, BCP achieves 81 percent empirical coverage under a misspecified prior, whereas Bayesian credible intervals under-cover at 49 percent.
Authors: Shir Ashury-Tahan, Ariel Gera, Elron Bandel, Michal Shmueli-Scheuer, Leshem Choshen
Abstract: Robustness is often regarded as a critical future challenge for real-world applications, where stability is essential. However, as models often learn tasks in a similar order, we hypothesize that easier tasks will be easier regardless of how they are presented to the model. Indeed, in this paper, we show that as models approach high performance on a task, robustness is effectively achieved. Through an empirical analysis of multiple models across diverse datasets and configurations (e.g., paraphrases, different temperatures), we find a strong positive correlation. Moreover, we find that robustness is primarily driven by task-specific competence rather than inherent model-level properties, challenging current approaches that treat robustness as an independent capability. Thus, from a high-level perspective, we may expect that as new tasks saturate, model robustness on these tasks will emerge accordingly. For researchers, this implies that explicit efforts to measure and improve robustness may warrant reduced emphasis, as such robustness is likely to develop alongside performance gains. For practitioners, it acts as a sign that indeed the tasks that the literature deals with are unreliable, but on easier past tasks, the models are reliable and ready for real-world deployment.
Authors: Nang Hung Nguyen, Phi Le Nguyen, Thao Nguyen Truong, Trong Nghia Hoang, Masashi Sugiyama
Abstract: This paper introduces a new framework for recovering causal graphs from observational data, leveraging the observation that the distribution of an effect, conditioned on its causes, remains invariant to changes in the prior distribution of those causes. This insight enables a direct test for potential causal relationships by checking the variance of their corresponding effect-cause conditional distributions across multiple downsampled subsets of the data. These subsets are selected to reflect different prior cause distributions, while preserving the effect-cause conditional relationships. Using this invariance test and exploiting an (empirical) sparsity of most causal graphs, we develop an algorithm that efficiently uncovers causal relationships with quadratic complexity in the number of observational variables, reducing the processing time by up to 25x compared to state-of-the-art methods. Our empirical experiments on a varied benchmark of large-scale datasets show superior or equivalent performance compared to existing works, while achieving enhanced scalability.
Authors: Kun Huang, Shi Pu
Abstract: This paper proposes FedNMap, a normal map-based method for composite federated learning, where the objective consists of a smooth loss and a possibly nonsmooth regularizer. FedNMap leverages a normal map-based update scheme to handle the nonsmooth term and incorporates a local correction strategy to mitigate the impact of data heterogeneity across clients. Under standard assumptions, including smooth local losses, weak convexity of the regularizer, and bounded stochastic gradient variance, FedNMap achieves linear speedup with respect to both the number of clients $n$ and the number of local updates $Q$ for nonconvex losses, both with and without the Polyak-{\L}ojasiewicz (PL) condition. To our knowledge, this is the first result establishing linear speedup for nonconvex composite federated learning.
Authors: Ning Ding, Fangcheng Liu, Kyungrae Kim, Linji Hao, Kyeng-Hun Lee, Hyeonmok Ko, Yehui Tang
Abstract: Scaling Large Language Models (LLMs) typically relies on increasing the number of parameters or test-time computations to boost performance. However, these strategies are impractical for edge device deployment due to limited RAM and NPU resources. Despite hardware constraints, deploying performant LLM on edge devices such as smartphone remains crucial for user experience. To address this, we propose MeKi (Memory-based Expert Knowledge Injection), a novel system that scales LLM capacity via storage space rather than FLOPs. MeKi equips each Transformer layer with token-level memory experts that injects pre-stored semantic knowledge into the generation process. To bridge the gap between training capacity and inference efficiency, we employ a re-parameterization strategy to fold parameter matrices used during training into a compact static lookup table. By offloading the knowledge to ROM, MeKi decouples model capacity from computational cost, introducing zero inference latency overhead. Extensive experiments demonstrate that MeKi significantly outperforms dense LLM baselines with identical inference speed, validating the effectiveness of memory-based scaling paradigm for on-device LLMs. Project homepage is at https://github.com/ningding-o/MeKi.
Authors: Sangyeon Yoon, Hyesoo Hong, Wonje Jeung, Albert No
Abstract: Machine unlearning aims to remove specific content from trained models while preserving overall performance. However, the phenomenon of benign relearning, in which forgotten information reemerges even from benign fine-tuning data, reveals that existing unlearning methods remain fundamentally fragile. A common explanation attributes this effect to topical relevance, but we find this account insufficient. Through systematic analysis, we demonstrate that syntactic similarity, rather than topicality, is the primary driver: across benchmarks, syntactically similar data consistently trigger recovery even without topical overlap, due to their alignment in representations and gradients with the forgotten content. Motivated by this insight, we introduce syntactic diversification, which paraphrases the original forget queries into heterogeneous structures prior to unlearning. This approach effectively suppresses benign relearning, accelerates forgetting, and substantially alleviates the trade-off between unlearning efficacy and model utility.
Authors: Bart Cox, Antreas Ioannou, J\'er\'emie Decouchant
Abstract: Decentralized learning (DL) enables a set of nodes to train a model collaboratively without central coordination, offering benefits for privacy and scalability. However, DL struggles to train a high accuracy model when the data distribution is non-independent and identically distributed (non-IID) and when the communication topology is static. To address these issues, we propose Morph, a topology optimization algorithm for DL. In Morph, nodes adaptively choose peers for model exchange based on maximum model dissimilarity. Morph maintains a fixed in-degree while dynamically reshaping the communication graph through gossip-based peer discovery and diversity-driven neighbor selection, thereby improving robustness to data heterogeneity. Experiments on CIFAR-10 and FEMNIST with up to 100 nodes show that Morph consistently outperforms static and epidemic baselines, while closely tracking the fully connected upper bound. On CIFAR-10, Morph achieves a relative improvement of 1.12x in test accuracy compared to the state-of-the-art baselines. On FEMNIST, Morph achieves an accuracy that is 1.08x higher than Epidemic Learning. Similar trends hold for 50 node deployments, where Morph narrows the gap to the fully connected upper bound within 0.5 percentage points on CIFAR-10. These results demonstrate that Morph achieves higher final accuracy, faster convergence, and more stable learning as quantified by lower inter-node variance, while requiring fewer communication rounds than baselines and no global knowledge.
Authors: Leif Doering, Daniel Schmidt, Moritz Melcher, Sebastian Kassing, Benedikt Wille, Tilman Aach, Simon Weissmann
Abstract: Proximal Policy Optimization (PPO) is among the most widely used deep reinforcement learning algorithms, yet its theoretical foundations remain incomplete. Most importantly, convergence and understanding of fundamental PPO advantages remain widely open. Under standard theory assumptions we show how PPO's policy update scheme (performing multiple epochs of minibatch updates on multi-use rollouts with a surrogate gradient) can be interpreted as approximated policy gradient ascent. We show how to control the bias accumulated by the surrogate gradients and use techniques from random reshuffling to prove a convergence theorem for PPO that sheds light on PPO's success. Additionally, we identify a previously overlooked issue in truncated Generalized Advantage Estimation commonly used in PPO. The geometric weighting scheme induces infinite mass collapse onto the longest $k$-step advantage estimator at episode boundaries. Empirical evaluations show that a simple weight correction can yield substantial improvements in environments with strong terminal signal, such as Lunar Lander.
Authors: Jinwoo Choi, Sang-Hyun Lee, Seung-Woo Seo
Abstract: Offline goal-conditioned reinforcement learning remains challenging for long-horizon tasks. While hierarchical approaches mitigate this issue by decomposing tasks, most existing methods rely on separate high- and low-level networks and generate only a single intermediate subgoal, making them inadequate for complex tasks that require coordinating multiple intermediate decisions. To address this limitation, we draw inspiration from the chain-of-thought paradigm and propose the Chain-of-Goals Hierarchical Policy (CoGHP), a novel framework that reformulates hierarchical decision-making as autoregressive sequence modeling within a unified architecture. Given a state and a final goal, CoGHP autoregressively generates a sequence of latent subgoals followed by the primitive action, where each latent subgoal acts as a reasoning step that conditions subsequent predictions. To implement this efficiently, we pioneer the use of an MLP-Mixer backbone, which supports cross-token communication and captures structural relationships among state, goal, latent subgoals, and action. Across challenging navigation and manipulation benchmarks, CoGHP consistently outperforms strong offline baselines, demonstrating improved performance on long-horizon tasks.
Authors: Shumin Wang, Yuexiang Xie, Wenhao Zhang, Yuchang Sun, Yanxi Chen, Yaliang Li, Yanyong Zhang
Abstract: Entropy serves as a critical metric for measuring the diversity of outputs generated by large language models (LLMs), providing valuable insights into their exploration capabilities. While recent studies increasingly focus on monitoring and adjusting entropy to better balance exploration and exploitation in reinforcement fine-tuning (RFT), a principled understanding of entropy dynamics during this process is yet to be thoroughly investigated. In this paper, we establish a theoretical framework for analyzing the entropy dynamics during the RFT process, which begins with a discriminant expression that quantifies entropy change under a single logit update. This foundation enables the derivation of a first-order expression for entropy change, which can be further extended to the update formula of Group Relative Policy Optimization (GRPO). The corollaries and insights drawn from the theoretical analysis inspire the design of entropy control methods, and also offer a unified lens for interpreting various entropy-based methods in existing studies. We provide empirical evidence to support the main conclusions of our analysis and demonstrate the effectiveness of the derived entropy-discriminator clipping methods. This study yields novel insights into RFT training dynamics, providing theoretical support and practical strategies for optimizing the exploration-exploitation balance during LLM fine-tuning.
Authors: Chen-Hui Song, Shuoling Liu, Liyuan Chen
Abstract: While deep learning has revolutionized financial forecasting through sophisticated architectures, the design of the supervision signal itself is rarely scrutinized. We challenge the canonical assumption that training labels must strictly mirror inference targets, uncovering the Label Horizon Paradox: the optimal supervision signal often deviates from the prediction goal, shifting across intermediate horizons governed by market dynamics. We theoretically ground this phenomenon in a dynamic signal-noise trade-off, demonstrating that generalization hinges on the competition between marginal signal realization and noise accumulation. To operationalize this insight, we propose a bi-level optimization framework that autonomously identifies the optimal proxy label within a single training run. Extensive experiments on large-scale financial datasets demonstrate consistent improvements over conventional baselines, thereby opening new avenues for label-centric research in financial forecasting.
Authors: Amit Daniely, Idan Mehalel
Abstract: The existence of adversarial examples is relatively understood for random fully connected neural networks, but much less so for convolutional neural networks (CNNs). The recent work [Daniely, 2025] establishes that adversarial examples can be found in CNNs, in some non-optimal distance from the input. We extend over this work and prove that adversarial examples in random CNNs with input dimension $d$ can be found already in $\ell_2$-distance of order $\lVert x \rVert /\sqrt{d}$ from the input $x$, which is essentially the nearest possible. We also show that such adversarial small perturbations can be found using a single step of gradient descent. To derive our results we use Fourier decomposition to efficiently bound the singular values of a random linear convolutional operator, which is the main ingredient of a CNN layer. This bound might be of independent interest.
Authors: Xin Sheng, Jiaxin Li, Yujuan Pang, Ran Peng, Yong Ma
Abstract: Reinforcement learning with verifiable rewards (RLVR) is effective for training large language models on deterministic outcome reasoning tasks. Prior work shows RLVR works with few prompts, but prompt selection is often based only on training-accuracy variance, leading to unstable optimization directions and weaker transfer. We revisit prompt selection from a mechanism-level view and argue that an effective minibatch should provide both (i) a reliable positive anchor and (ii) explicit negative learning signals from rare failures. Based on this principle, we propose \emph{positive--negative pairing}: at each update, we sample a hard-but-solvable $q^{+}$ and an easy-but-brittle prompt $q^{-}$(high success rate but not perfect), characterized by low and high empirical success rates under multiple rollouts. We further introduce Weighted GRPO, which reweights binary outcomes at the pair level and uses group-normalized advantages to amplify rare successes on $q^{+}$ into sharp positive guidance while turning rare failures on $q^{-}$ into strong negative penalties. This bidirectional signal provides informative learning feedback for both successes and failures, improving sample efficiency without suppressing exploration. On Qwen2.5-Math-7B, a single paired minibatch per update consistently outperforms a GRPO baseline that selects two prompts via commonly used variance-based selection heuristics: AIME~2025 Pass@8 improves from 16.8 to 22.2, and AMC23 Pass@64 from 94.0 to 97.0, while remaining competitive with large-scale RLVR trained from a pool of 1209 training prompts. Similar gains are observed on Qwen2.5-Math-7B-Instruct.
Authors: Maresa Schr\"oder, Miruna Oprescu, Stefan Feuerriegel, Nathan Kallus
Abstract: Estimating treatment effects in networks is challenging, as each potential outcome depends on the treatments of all other nodes in the network. To overcome this difficulty, existing methods typically impose an exposure mapping that compresses the treatment assignments in the network into a low-dimensional summary. However, if this mapping is misspecified, standard estimators for direct and spillover effects can be severely biased. We propose a novel partial identification framework for causal inference on networks to assess the robustness of treatment effects under misspecifications of the exposure mapping. Specifically, we derive sharp upper and lower bounds on direct and spillover effects under such misspecifications. As such, our framework presents a novel application of causal sensitivity analysis to exposure mappings. We instantiate our framework for three canonical exposure settings widely used in practice: (i) weighted means of the neighborhood treatments, (ii) threshold-based exposure mappings, and (iii) truncated neighborhood interference in the presence of higher-order spillovers. Furthermore, we develop orthogonal estimators for these bounds and prove that the resulting bound estimates are valid, sharp, and efficient. Our experiments show the bounds remain informative and provide reliable conclusions under misspecification of exposure mappings.
Authors: Philipp J. Schneider, Daniel Kuhn
Abstract: Integrating hard constraints into deep learning is essential for safety-critical systems. Yet existing constructive layers that project predictions onto constraint boundaries face a fundamental bottleneck: gradient saturation. By collapsing exterior points onto lower-dimensional surfaces, standard orthogonal projections induce rank-deficient Jacobians, which nullify gradients orthogonal to active constraints and hinder optimization. We introduce Soft-Radial Projection, a differentiable reparameterization layer that circumvents this issue through a radial mapping from Euclidean space into the interior of the feasible set. This construction guarantees strict feasibility while preserving a full-rank Jacobian almost everywhere, thereby preventing the optimization stalls typical of boundary-based methods. We theoretically prove that the architecture retains the universal approximation property and empirically show improved convergence behavior and solution quality over state-of-the-art optimization- and projection-based baselines.
Authors: Meng Lou, Yunxiang Fu, Yizhou Yu
Abstract: Continual learning, especially class-incremental learning (CIL), on the basis of a pre-trained model (PTM) has garnered substantial research interest in recent years. However, how to effectively learn both discriminative and comprehensive feature representations while maintaining stability and plasticity over very long task sequences remains an open problem. We propose CaRE, a scalable {C}ontinual Le{a}rner with efficient Bi-Level {R}outing Mixture-of-{E}xperts (BR-MoE). The core idea of BR-MoE is a bi-level routing mechanism: a router selection stage that dynamically activates relevant task-specific routers, followed by an expert routing phase that dynamically activates and aggregates experts, aiming to inject discriminative and comprehensive representations into every intermediate network layer. On the other hand, we introduce a challenging evaluation protocol for comprehensively assessing CIL methods across very long task sequences spanning hundreds of tasks. Extensive experiments show that CaRE demonstrates leading performance across a variety of datasets and task settings, including commonly used CIL datasets with classical CIL settings (e.g., 5-20 tasks). To the best of our knowledge, CaRE is the first continual learner that scales to very long task sequences (ranging from 100 to over 300 non-overlapping tasks), while outperforming all baselines by a large margin on such task sequences. Code will be publicly released at https://github.com/LMMMEng/CaRE.git.
Authors: Mingxuan Wang, Cheng Chen, Gaoyang Jiang, Zijia Ren, Chuangxin Zhao, Lu Shi, Yanbiao Ma
Abstract: Single-cell RNA-seq profiles are high-dimensional, sparse, and unordered, causing autoregressive generation to impose an artificial ordering bias and suffer from error accumulation. To address this, we propose scDiVa, a masked discrete diffusion foundation model that aligns generation with the dropout-like corruption process by defining a continuous-time forward masking mechanism in token space. ScDiVa features a bidirectional denoiser that jointly models discrete gene identities and continuous values, utilizing entropy-normalized serialization and a latent anchor token to maximize information efficiency and preserve global cell identity. The model is trained via depth-invariant time sampling and a dual denoising objective to simulate varying sparsity levels while ensuring precise recovery of both identity and magnitude. Pre-trained on 59 million cells, scDiVa achieves strong transfer performance across major benchmarks, including batch integration, cell type annotation, and perturbation response prediction. These results suggest that masked discrete diffusion serves as a biologically coherent and effective alternative to autoregression.
Authors: Elena Umili, Francesco Argenziano, Roberto Capobianco
Abstract: Integrating logical knowledge into deep neural network training is still a hard challenge, especially for sequential or temporally extended domains involving subsymbolic observations. To address this problem, we propose DeepDFA, a neurosymbolic framework that integrates high-level temporal logic - expressed as Deterministic Finite Automata (DFA) or Moore Machines - into neural architectures. DeepDFA models temporal rules as continuous, differentiable layers, enabling symbolic knowledge injection into subsymbolic domains. We demonstrate how DeepDFA can be used in two key settings: (i) static image sequence classification, and (ii) policy learning in interactive non-Markovian environments. Across extensive experiments, DeepDFA outperforms traditional deep learning models (e.g., LSTMs, GRUs, Transformers) and novel neuro-symbolic systems, achieving state-of-the-art results in temporal knowledge integration. These results highlight the potential of DeepDFA to bridge subsymbolic learning and symbolic reasoning in sequential tasks.
Authors: Linda Ariel Ventura, Victoria Bosch, Tim C Kietzmann, Sushrut Thorat
Abstract: Adaptive cognition requires structured internal models representing objects and their relations. Predictive neural networks are often proposed to form such "world models", yet their underlying mechanisms remain unclear. One hypothesis is that action-conditioned sequential prediction suffices for learning such world models. In this work, we investigate this possibility in a minimal in-silico setting. Sequentially sampling tokens from 2D continuous token scenes, a recurrent neural network is trained to predict the upcoming token from current input and a saccade-like displacement. On novel scenes, prediction accuracy improves across the sequence, indicating in-context learning. Decoding analyses reveal path integration and dynamic binding of token identity to position. Interventional analyses show that new bindings can be learned late in sequence and that out-of-distribution bindings can be learned. Together, these results demonstrate how structured representations that rely on flexible binding emerge to support prediction, offering a mechanistic account of sequential world modeling relevant to cognitive science.
Authors: Alessio Quercia, Arya Bangun, Ira Assent, Hanno Scharr
Abstract: Low-Rank Adaptation (LoRA) methods have emerged as crucial techniques for adapting large pre-trained models to downstream tasks under computational and memory constraints. However, they face a fundamental challenge in balancing task-specific performance gains against catastrophic forgetting of pre-trained knowledge, where existing methods provide inconsistent recommendations. This paper presents a comprehensive analysis of the performance-forgetting trade-offs inherent in low-rank adaptation using principal components as initialization. Our investigation reveals that fine-tuning intermediate components leads to better balance and show more robustness to high learning rates than first (PiSSA) and last (MiLoRA) components in existing work. Building on these findings, we provide a practical approach for initialization of LoRA that offers superior trade-offs. We demonstrate in a thorough empirical study on a variety of computer vision and NLP tasks that our approach improves accuracy and reduces forgetting, also in continual learning scenarios.
Authors: Xuejie Liu, Yap Vit Chun, Yitao Liang, Anji Liu
Abstract: Diffusion Large Language Models (dLLMs) support arbitrary-order generation, yet their inference performance critically depends on the unmasking order. Existing strategies rely on heuristics that greedily optimize local confidence, offering limited guidance for identifying unmasking paths that are globally consistent and accurate. To bridge this gap, we introduce path log-likelihood (Path LL), a trajectory-conditioned objective that strongly correlates with downstream accuracy and enables principled selection of unmasking paths. To optimize Path LL at inference time, we propose POKE, an efficient value estimator that predicts the expected future Path LL of a partial decoding trajectory. We then integrate this lookahead signal into POKE-SMC, a Sequential Monte Carlo-based search framework for dynamically identifying optimal unmasking paths. Extensive experiments across 6 reasoning tasks show that POKE-SMC consistently improves accuracy, achieving 2%--3% average gains over strong decoding-time scaling baselines at comparable inference overhead on LLaDA models and advancing the accuracy--compute Pareto frontier.
Authors: Hai Zhong, Zhuoran Li, Xun Wang, Longbo Huang
Abstract: Reparameterization Policy Gradient (RPG) has emerged as a powerful paradigm for model-based reinforcement learning, enabling high sample efficiency by backpropagating gradients through differentiable dynamics. However, prior RPG approaches have been predominantly restricted to Gaussian policies, limiting their performance and failing to leverage recent advances in generative models. In this work, we identify that flow policies, which generate actions via differentiable ODE integration, naturally align with the RPG framework, a connection not established in prior work. However, naively exploiting this synergy proves ineffective, often suffering from training instability and a lack of exploration. We propose Reparameterization Flow Policy Optimization (RFO). RFO computes policy gradients by backpropagating jointly through the flow generation process and system dynamics, unlocking high sample efficiency without requiring intractable log-likelihood calculations. RFO includes two tailored regularization terms for stability and exploration. We also propose a variant of RFO with action chunking. Extensive experiments on diverse locomotion and manipulation tasks, involving both rigid and soft bodies with state or visual inputs, demonstrate the effectiveness of RFO. Notably, on a challenging locomotion task controlling a soft-body quadruped, RFO achieves almost $2\times$ the reward of the state-of-the-art baseline.
Authors: Arco van Breda, Erman Acar
Abstract: Following their success across many domains, transformers have also proven effective for symbolic regression (SR); however, the internal mechanisms underlying their generation of mathematical operators remain largely unexplored. Although mechanistic interpretability has successfully identified circuits in language and vision models, it has not yet been applied to SR. In this article, we introduce PATCHES, an evolutionary circuit discovery algorithm that identifies compact and correct circuits for SR. Using PATCHES, we isolate 28 circuits, providing the first circuit-level characterisation of an SR transformer. We validate these findings through a robust causal evaluation framework based on key notions such as faithfulness, completeness, and minimality. Our analysis shows that mean patching with performance-based evaluation most reliably isolates functionally correct circuits. In contrast, we demonstrate that direct logit attribution and probing classifiers primarily capture correlational features rather than causal ones, limiting their utility for circuit discovery. Overall, these results establish SR as a high-potential application domain for mechanistic interpretability and propose a principled methodology for circuit discovery.
Authors: Ronald Katende
Abstract: Modern learning systems often interpolate training data while still generalizing well, yet it remains unclear when algorithmic stability explains this behavior. We model training as a function-space trajectory and measure sensitivity to single-sample perturbations along this trajectory. We propose a contractive propagation condition and a stability certificate obtained by unrolling the resulting recursion. A small certificate implies stability-based generalization, while we also prove that there exist interpolating regimes with small risk where such contractive sensitivity cannot hold, showing that stability is not a universal explanation. Experiments confirm that certificate growth predicts generalization differences across optimizers, step sizes, and dataset perturbations. The framework therefore identifies regimes where stability explains generalization and where alternative mechanisms must account for success.
Authors: Hyunji Jung, Sungbin Shin, Namhoon Lee
Abstract: Asynchronous pipeline parallelism maximizes hardware utilization by eliminating the pipeline bubbles inherent in synchronous execution, offering a path toward efficient large-scale distributed training. However, this efficiency gain can be compromised by gradient staleness, where the immediate model updates with delayed gradients introduce noise into the optimization process. Crucially, we identify a critical, yet often overlooked, pathology: this delay scales linearly with pipeline depth, fundamentally undermining the very scalability that the method originally intends to provide. In this work, we investigate this inconsistency and bridge the gap by rectifying delayed gradients through basis rotation, restoring scalable asynchronous training while maintaining performance. Specifically, we observe that the deleterious effects of delayed gradients are exacerbated when the Hessian eigenbasis is misaligned with the standard coordinate basis. We demonstrate that this misalignment prevents coordinate-wise adaptive schemes, such as Adam, from effectively leveraging curvature-aware adaptivity. This failure leads to significant oscillations in the optimization trajectory and, consequently, slower convergence. We substantiate these findings through both rigorous theoretical analysis and empirical evaluation. To address this challenge, we propose the use of basis rotation, demonstrating that it effectively mitigates the alignment issue and significantly accelerates convergence in asynchronous settings. For example, our training of a 1B-parameter LLM with basis rotation achieves the same training loss in 76.8% fewer iterations compared to the best-performing asynchronous pipeline parallel training baseline.
Authors: Zixiang Di, Jinyi Han, Shuo Zhang, Ying Liao, Zhi Li, Xiaofeng Ji, Yongqi Wang, Zheming Yang, Ming Gao, Bingdong Li, Jie Wang
Abstract: Learning from negative samples holds great promise for improving Large Language Model (LLM) reasoning capability, yet existing methods treat all incorrect responses as equally informative, overlooking the crucial role of sample quality. To address this, we propose Plausible Negative Samples (PNS), a method that synthesizes high-quality negative samples exhibiting expected format and structural coherence while ultimately yielding incorrect answers. PNS trains a dedicated model via reverse reinforcement learning (RL) guided by a composite reward combining format compliance, accuracy inversion, reward model assessment, and chain-of-thought evaluation, generating responses nearly indistinguishable from correct solutions. We further validate PNS as a plug-and-play data source for preference optimization across three backbone models on seven mathematical reasoning benchmarks. Results demonstrate that PNS consistently outperforms other negative sample synthesis methods, achieving an average improvement of 2.03% over RL-trained models.
Authors: Henri Arno, Dennis Frauen, Emil Javurek, Thomas Demeester, Stefan Feuerriegel
Abstract: Many decision-making problems require ranking individuals by their treatment effects rather than estimating the exact effect magnitudes. Examples include prioritizing patients for preventive care interventions, or ranking customers by the expected incremental impact of an advertisement. Surprisingly, while causal effect estimation has received substantial attention in the literature, the problem of directly learning rankings of treatment effects has largely remained unexplored. In this paper, we introduce Rank-Learner, a novel two-stage learner that directly learns the ranking of treatment effects from observational data. We first show that naive approaches based on precise treatment effect estimation solve a harder problem than necessary for ranking, while our Rank-Learner optimizes a pairwise learning objective that recovers the true treatment effect ordering, without explicit CATE estimation. We further show that our Rank-Learner is Neyman-orthogonal and thus comes with strong theoretical guarantees, including robustness to estimation errors in the nuisance functions. In addition, our Rank-Learner is model-agnostic, and can be instantiated with arbitrary machine learning models (e.g., neural networks). We demonstrate the effectiveness of our method through extensive experiments where Rank-Learner consistently outperforms standard CATE estimators and non-orthogonal ranking methods. Overall, we provide practitioners with a new, orthogonal two-stage learner for ranking individuals by their treatment effects.
Authors: Yiran Qiao, Jing Chen, Xiang Ao, Qiwei Zhong, Yang Liu, Qing He
Abstract: Live streaming has become a cornerstone of today's internet, enabling massive real-time social interactions. However, it faces severe risks arising from sparse, coordinated malicious behaviors among multiple participants, which are often concealed within normal activities and challenging to detect timely and accurately. In this work, we provide a pioneering study on risk assessment in live streaming rooms, characterized by weak supervision where only room-level labels are available. We formulate the task as a Multiple Instance Learning (MIL) problem, treating each room as a bag and defining structured user-timeslot capsules as instances. These capsules represent subsequences of user actions within specific time windows, encapsulating localized behavioral patterns. Based on this formulation, we propose AC-MIL, an Action-aware Capsule MIL framework that models both individual behaviors and group-level coordination patterns. AC-MIL captures multi-granular semantics and behavioral cues through a serial and parallel architecture that jointly encodes temporal dynamics and cross-user dependencies. These signals are integrated for robust room-level risk prediction, while also offering interpretable evidence at the behavior segment level. Extensive experiments on large-scale industrial datasets from Douyin demonstrate that AC-MIL significantly outperforms MIL and sequential baselines, establishing new state-of-the-art performance in room-level risk assessment for live streaming. Moreover, AC-MIL provides capsule-level interpretability, enabling identification of risky behavior segments as actionable evidence for intervention. The project page is available at: https://qiaoyran.github.io/AC-MIL/.
Authors: Lino Gerlach, Thore Gerlach, Liv V{\aa}ge, Elliott Kauffman, Isobel Ojalvo
Abstract: Fast and efficient AI inference is increasingly important, and recent models that directly learn low-level logic operations have achieved state-of-the-art performance. However, existing logic neural networks incur high training costs, introduce redundancy or rely on approximate gradients, which limits scalability. To overcome these limitations, we introduce WAlsh Relaxation for Probabilistic (WARP) logic neural networks -- a novel gradient-based framework that efficiently learns combinations of hardware-native logic blocks. We show that WARP yields the most parameter-efficient representation for exactly learning Boolean functions and that several prior approaches arise as restricted special cases. Training is improved by introducing learnable thresholding and residual initialization, while we bridge the gap between relaxed training and discrete logic inference through stochastic smoothing. Experiments demonstrate faster convergence than state-of-the-art baselines, while scaling effectively to deeper architectures and logic functions with higher input arity.
Authors: Anika Shrivastava, Renu Rameshan, Samar Agnihotri
Abstract: Masked Autoencoders (MAEs) achieve impressive performance in image classification tasks, yet the internal representations they learn remain less understood. This work started as an attempt to understand the strong downstream classification performance of MAE. In this process we discover that representations learned with the pretraining and fine-tuning, are quite robust - demonstrating a good classification performance in the presence of degradations, such as blur and occlusions. Through layer-wise analysis of token embeddings, we show that pretrained MAE progressively constructs its latent space in a class-aware manner across network depth: embeddings from different classes lie in subspaces that become increasingly separable. We further observe that MAE exhibits early and persistent global attention across encoder layers, in contrast to standard Vision Transformers (ViTs). To quantify feature robustness, we introduce two sensitivity indicators: directional alignment between clean and perturbed embeddings, and head-wise retention of active features under degradations. These studies help establish the robust classification performance of MAEs.
Authors: Yannick Lunk, Sebastian J. Scott, Leon Bungert
Abstract: We introduce a dynamic sparse training algorithm based on linearized Bregman iterations / mirror descent that exploits the naturally incurred sparsity by alternating between periods of static and dynamic sparsity pattern updates. The key idea is to combine sparsity-inducing Bregman iterations with adaptive freezing of the network structure to enable efficient exploration of the sparse parameter space while maintaining sparsity. We provide convergence guaranties by embedding our method in a multilevel optimization framework. Furthermore, we empirically show that our algorithm can produce highly sparse and accurate models on standard benchmarks. We also show that the theoretical number of FLOPs compared to SGD training can be reduced from 38% for standard Bregman iterations to 6% for our method while maintaining test accuracy.
Authors: Maximilian Kleinegger, Elvir Crn\v{c}evi\'c, Dan Alistarh
Abstract: Matryoshka Quantization (MatQuant) is a recent quantization approach showing that a single integer-quantized model can be served across multiple precisions, by slicing the most significant bits (MSB) at inference time. This enables a single checkpoint to cover a wide range of memory and latency budgets, but renders quantization much more challenging. In particular, the initial MatQuant relies on expensive quantization-aware training (QAT) variants, rather than fast one-shot post training quantization (PTQ), and lacks open-source and kernel support. We address all of these limitations by introducing Post-Training Matryoshka Quantization (MatGPTQ), a new PTQ pipeline that produces a single parent model jointly optimized for multiple target precisions in one-shot, based on a small calibration set. MatGPTQ casts Matryoshka quantization as a multi-precision objective with bit-slicing and cross-bit error compensation, resulting in an algorithm that produces a multi-bit-width, "sliceable" model in a single pass. We also incorporate a new budget-aware search for heterogeneous per-layer bit-witdhs and provide efficient kernels that implement slicing and mixed-precision execution. Across standard LLMs and benchmarks, MatGPTQ preserves high-bit accuracy while substantially improving performance at low-bit-witdh settings. Overall, we establish a new state of the art for Matryoshka-style post-training quantization and make single-checkpoint, multi-precision deployment open and practical. Code is available at https://github.com/IST-DASLab/MatGPTQ.
Authors: Jonathan Lin, Aman Desai, Frank Barrows, Francesco Caravelli
Abstract: Machine learning is a powerful method of extracting meaning from data; unfortunately, current digital hardware is extremely energy-intensive. There is interest in an alternative analog computing implementation that could match the performance of traditional machine learning while being significantly more energy-efficient. However, it remains unclear how to train such analog computing systems while adhering to locality constraints imposed by the physical (as opposed to digital) nature of these systems. Local learning algorithms such as Equilibrium Propagation and Coupled Learning have been proposed to address this issue. In this paper, we develop an algorithm to exactly calculate gradients using a graph theoretic and analytical framework for Kirchhoff's laws. We also introduce Generalized Equilibrium Propagation, a framework encompassing a broad class of Hebbian learning algorithms, including Coupled Learning and Equilibrium Propagation, and show how our algorithm compares. We demonstrate our algorithm using numerical simulations and show that we can train resistor networks without the need for a replica or readout over all resistors, only at the output layer. We also show that under the analytical gradient approach, it is possible to update only a subset of the resistance values without a strong degradation in performance.
Authors: Bogdan Zagribelnyy, Ivan Ilin, Maksim Kuznetsov, Nikita Bondarev, Roman Schutski, Thomas MacDougall, Rim Shayakhmetov, Zulfat Miftakhutdinov, Mikolaj Mizera, Vladimir Aladinskiy, Alex Aliper, Alex Zhavoronkov
Abstract: Recent progress has expanded the use of large language models (LLMs) in drug discovery, including synthesis planning. However, objective evaluation of retrosynthesis performance remains limited. Existing benchmarks and metrics typically rely on published synthetic procedures and Top-K accuracy based on single ground-truth, which does not capture the open-ended nature of real-world synthesis planning. We propose a new benchmarking framework for single-step retrosynthesis that evaluates both general-purpose and chemistry-specialized LLMs using ChemCensor, a novel metric for chemical plausibility. By emphasizing plausibility over exact match, this approach better aligns with human synthesis planning practices. We also introduce CREED, a novel dataset comprising millions of ChemCensor-validated reaction records for LLM training, and use it to train a model that improves over the LLM baselines under this benchmark.
Authors: Pi-Ju Tsai, Charkkri Limbud, Kuan-Fu Chen, Yi-Ju Tseng
Abstract: Sepsis is a heterogeneous syndrome. Identifying clinically distinct phenotypes may enable more precise treatment strategies. In recent years, many researchers have applied clustering algorithms to sepsis patients. However, the clustering process rarely incorporates clinical relevance, potentially limiting to reflect clinically distinct phenotypes. We propose NPCNet, a novel deep clustering network with a target navigator that integrates temporal Electronic Health Records (EHRs) to better align sepsis phenotypes with clinical significance. We identify four sepsis phenotypes ($\alpha$, $\beta$, $\gamma$, and $\delta$) with divergence in SOFA trajectories. Notably, while $\alpha$ and $\delta$ phenotypes both show severe conditions in the early stage, NPCNet effectively differentiates patients who are likely to improve ($\alpha$) from those at risk of deterioration ($\delta$). Furthermore, through the treatment effect analysis, we discover that $\alpha$, $\beta$, and $\delta$ phenotypes may benefit from early vasopressor administration. The results show that NPCNet enhances precision treatment strategies by uncovering clinically distinct phenotypes.
Authors: Yaguo Liu, Mingyue Cheng, Daoyu Wang, Xiaoyu Tao, Qi Liu
Abstract: Time series forecasting can be viewed as a generative problem that requires both semantic understanding over contextual conditions and stochastic modeling of continuous temporal dynamics. Existing approaches typically rely on either autoregressive large language models (LLMs) for semantic context modeling or diffusion-like models for continuous probabilistic generation. However, neither method alone can adequately model both aspects simultaneously. In this work, we propose CoGenCast, a hybrid generative framework that couples pre-trained LLMs with flow-matching mechanism for effective time series forecasting. Specifically, we reconfigure pre-trained decoder-only LLMs into a native forecasting encoder-decoder backbone by modifying only the attention topology, enabling bidirectional context encoding and causal representation generation. Building on this, a flow-matching mechanism is further integrated to model temporal evolution, capturing continuous stochastic dynamics conditioned on the autoregressively generated representation. Notably, CoGenCast naturally supports multimodal forecasting and cross-domain unified training. Extensive experiments on multiple benchmarks show that CoGenCast consistently outperforms previous compared baselines. Code is available at https://github.com/liuyaguo/_CoGenCast.
Authors: Alessandro Micheli, Yueqi Cao, Anthea Monod, Samir Bhatt
Abstract: Computational optimal transport (OT) offers a principled framework for generative modeling. Neural OT methods, which use neural networks to learn an OT map (or potential) from data in an amortized way, can be evaluated out of sample after training, but existing approaches are tailored to Euclidean geometry. Extending neural OT to high-dimensional Riemannian manifolds remains an open challenge. In this paper, we prove that any method for OT on manifolds that produces discrete approximations of transport maps necessarily suffers from the curse of dimensionality: achieving a fixed accuracy requires a number of parameters that grows exponentially with the manifold dimension. Motivated by this limitation, we introduce Riemannian Neural OT (RNOT) maps, which are continuous neural-network parameterizations of OT maps on manifolds that avoid discretization and incorporate geometric structure by construction. Under mild regularity assumptions, we prove that RNOT maps approximate Riemannian OT maps with sub-exponential complexity in the dimension. Experiments on synthetic and real datasets demonstrate improved scalability and competitive performance relative to discretization-based baselines.
Authors: Weiqi Wang, Zhiyi Tian, Chenhan Zhang, Luoyu Chen, Shui Yu
Abstract: Verifying whether the machine unlearning process has been properly executed is critical but remains underexplored. Some existing approaches propose unlearning verification methods based on backdooring techniques. However, these methods typically require participation in the model's initial training phase to backdoor the model for later verification, which is inefficient and impractical. In this paper, we propose an efficient verification of erasure method (EVE) for verifying machine unlearning without requiring involvement in the model's initial training process. The core idea is to perturb the unlearning data to ensure the model prediction of the specified samples will change before and after unlearning with perturbed data. The unlearning users can leverage the observation of the changes as a verification signal. Specifically, the perturbations are designed with two key objectives: ensuring the unlearning effect and altering the unlearned model's prediction of target samples. We formalize the perturbation generation as an adversarial optimization problem, solving it by aligning the unlearning gradient with the gradient of boundary change for target samples. We conducted extensive experiments, and the results show that EVE can verify machine unlearning without involving the model's initial training process, unlike backdoor-based methods. Moreover, EVE significantly outperforms state-of-the-art unlearning verification methods, offering significant speedup in efficiency while enhancing verification accuracy. The source code of EVE is released at \uline{https://anonymous.4open.science/r/EVE-C143}, providing a novel tool for verification of machine unlearning.
Authors: Bixing Wu, Yuhong Zhao, Zongli Ye, Jiachen Lian, Xiangyu Yue, Gopala Anumanchipalli
Abstract: Audio-visual joint representation learning under Cross-Modal Generalization (CMG) aims to transfer knowledge from a labeled source modality to an unlabeled target modality through a unified discrete representation space. Existing symmetric frameworks often suffer from information allocation ambiguity, where the absence of structural inductive bias leads to semantic-specific leakage across modalities. We propose Asymmetric Hierarchical Anchoring (AHA), which enforces directional information allocation by designating a structured semantic anchor within a shared hierarchy. In our instantiation, we exploit the hierarchical discrete representations induced by audio Residual Vector Quantization (RVQ) to guide video feature distillation into a shared semantic space. To ensure representational purity, we replace fragile mutual information estimators with a GRL-based adversarial decoupler that explicitly suppresses semantic leakage in modality-specific branches, and introduce Local Sliding Alignment (LSA) to encourage fine-grained temporal alignment across modalities. Extensive experiments on AVE and AVVP benchmarks demonstrate that AHA consistently outperforms symmetric baselines in cross-modal transfer. Additional analyses on talking-face disentanglement experiment further validate that the learned representations exhibit improved semantic consistency and disentanglement, indicating the broader applicability of the proposed framework.
Authors: Huaguan Chen, Ning Lin, Luxi Chen, Rui Zhang, Wenbing Huang, Chongxuan Li, Hao Sun
Abstract: Inverse design with physics-based objectives is challenging because it couples high-dimensional geometry with expensive simulations, as exemplified by aerodynamic shape optimization for drag reduction. We revisit inverse design through two canonical solutions, the optimal design point and the optimal design distribution, and relate them to optimization and guided generation. Building on this view, we propose a new training loss for cost predictors and a density-gradient optimization method that improves objectives while preserving plausible shapes. We further unify existing training-free guided generation methods. To address their inability to approximate conditional covariance in high dimensions, we develop a time- and memory-efficient algorithm for approximate covariance estimation. Experiments on a controlled 2D study and high-fidelity 3D aerodynamic benchmarks (car and aircraft), validated by OpenFOAM simulations and miniature wind-tunnel tests with 3D-printed prototypes, demonstrate consistent gains in both optimization and guided generation. Additional offline RL results further support the generality of our approach.
Authors: Tao Ren, Xiaoyu Luo, Qiongxiu Li
Abstract: Prior work on probing neural networks primarily relies on input-space analysis or parameter perturbation, both of which face fundamental limitations in accessing structural information encoded in intermediate representations. We introduce Activation Perturbation for EXploration (APEX), an inference-time probing paradigm that perturbs hidden activations while keeping both inputs and model parameters fixed. We theoretically show that activation perturbation induces a principled transition from sample-dependent to model-dependent behavior by suppressing input-specific signals and amplifying representation-level structure, and further establish that input perturbation corresponds to a constrained special case of this framework. Through representative case studies, we demonstrate the practical advantages of APEX. In the small-noise regime, APEX provides a lightweight and efficient measure of sample regularity that aligns with established metrics, while also distinguishing structured from randomly labeled models and revealing semantically coherent prediction transitions. In the large-noise regime, APEX exposes training-induced model-level biases, including a pronounced concentration of predictions on the target class in backdoored models. Overall, our results show that APEX offers an effective perspective for exploring, and understanding neural networks beyond what is accessible from input space alone.
Authors: Cristian Manca, Christian Scano, Giorgio Piras, Fabio Brau, Maura Pintor, Battista Biggio
Abstract: Machine learning-based anomaly detection systems are increasingly being adopted in 5G Core networks to monitor complex, high-volume traffic. However, most existing approaches are evaluated under strong assumptions that rarely hold in operational environments, notably the availability of independent and identically distributed (IID) data and the absence of adaptive attackers.In this work, we study the problem of detecting 5G attacks \textit{in the wild}, focusing on realistic deployment settings. We propose a set of Security-Aware Guidelines for Evaluating anomaly detectors in 5G Core Network (SAGE-5GC), driven by domain knowledge and consideration of potential adversarial threats. Using a realistic 5G Core dataset, we first train several anomaly detectors and assess their baseline performance against standard 5GC control-plane cyberattacks targeting PFCP-based network services.We then extend the evaluation to adversarial settings, where an attacker tries to manipulate the observable features of the network traffic to evade detection, under the constraint that the intended functionality of the malicious traffic is preserved. Starting from a selected set of controllable features, we analyze model sensitivity and adversarial robustness through randomized perturbations. Finally, we introduce a practical optimization strategy based on genetic algorithms that operates exclusively on attacker-controllable features and does not require prior knowledge of the underlying detection model. Our experimental results show that adversarially crafted attacks can substantially degrade detection performance, underscoring the need for robust, security-aware evaluation methodologies for anomaly detection in 5G networks deployed in the wild.
Authors: Fatima Ezzeddine, Osama Zammar, Silvia Giordano, Omran Ayoub
Abstract: Counterfactual explanations (CFs) are increasingly integrated into Machine Learning as a Service (MLaaS) systems to improve transparency; however, ML models deployed via APIs are already vulnerable to privacy attacks such as membership inference and model extraction, and the impact of explanations on this threat landscape remains insufficiently understood. In this work, we focus on the problem of how CFs expand the attack surface of MLaaS by strengthening membership inference attacks (MIAs), and on the need to design defense mechanisms that mitigate this emerging risk without undermining utility and explainability. First, we systematically analyze how exposing CFs through query-based APIs enables more effective shadow-based MIAs. Second, we propose a defense framework that integrates Differential Privacy (DP) with Active Learning (AL) to jointly reduce memorization and limit effective training data exposure. Finally, we conduct an extensive empirical evaluation to characterize the three-way trade-off between privacy leakage, predictive performance, and explanation quality. Our findings highlight the need to carefully balance transparency, utility, and privacy in the responsible deployment of explainable MLaaS systems.
Authors: Dario Malchiodi, Mattia Ferraretto, Marco Frasca
Abstract: Deep Neural Networks reached state-of-the-art performance across numerous domains, but this progress has come at the cost of increasingly large and over-parameterized models, posing serious challenges for deployment on resource-constrained devices. As a result, model compression has become essential, and -- among compression techniques -- weight quantization is largely used and particularly effective, yet it typically introduces a non-negligible accuracy drop. However, it is usually applied to already trained models, without influencing how the parameter space is explored during the learning phase. In contrast, we introduce per-layer regularization terms that drive weights to naturally form clusters during training, integrating quantization awareness directly into the optimization process. This reduces the accuracy loss typically associated with quantization methods while preserving their compression potential. Furthermore, in our framework quantization representatives become network parameters, marking, to the best of our knowledge, the first approach to embed quantization parameters directly into the backpropagation procedure. Experiments on CIFAR-10 with AlexNet and VGG16 models confirm the effectiveness of the proposed strategy.
Authors: Cindy Xiangrui Kong, Yueqi Wang, Haoyang Zheng, Weijian Luo, Guang Lin
Abstract: Diffusion-based models have demonstrated impressive accuracy and generalization in solving partial differential equations (PDEs). However, they still face significant limitations, such as high sampling costs and insufficient physical consistency, stemming from their many-step iterative sampling mechanism and lack of explicit physics constraints. To address these issues, we propose Phys-Instruct, a novel physics-guided distillation framework which not only (1) compresses a pre-trained diffusion PDE solver into a few-step generator via matching generator and prior diffusion distributions to enable rapid sampling, but also (2) enhances the physics consistency by explicitly injecting PDE knowledge through a PDE distillation guidance. Physic-Instruct is built upon a solid theoretical foundation, leading to a practical physics-constrained training objective that admits tractable gradients. Across five PDE benchmarks, Phys-Instruct achieves orders-of-magnitude faster inference while reducing PDE error by more than 8 times compared to state-of-the-art diffusion baselines. Moreover, the resulting unconditional student model functions as a compact prior, enabling efficient and physically consistent inference for various downstream conditional tasks. Our results indicate that Phys-Instruct is a novel, effective, and efficient framework for ultra-fast PDE solving powered by deep generative models.
Authors: Milosh Devic, Jordan Gierschendorf, David Garson
Abstract: Generating synthetic tabular data under severe class imbalance is essential for domains where rare but high-impact events drive decision-making. However, most generative models either overlook minority groups or fail to produce samples that are useful for downstream learning. We introduce CTTVAE, a Conditional Transformer-based Tabular Variational Autoencoder equipped with two complementary mechanisms: (i) a class-aware triplet margin loss that restructures the latent space for sharper intra-class compactness and inter-class separation, and (ii) a training-by-sampling strategy that adaptively increases exposure to underrepresented groups. Together, these components form CTTVAE+TBS, a framework that consistently yields more representative and utility-aligned samples without destabilizing training. Across six real-world benchmarks, CTTVAE+TBS achieves the strongest downstream utility on minority classes, often surpassing models trained on the original imbalanced data while maintaining competitive fidelity and bridging the gap for privacy for interpolation-based sampling methods and deep generative methods. Ablation studies further confirm that both latent structuring and targeted sampling contribute to these gains. By explicitly prioritizing downstream performance in rare categories, CTTVAE+TBS provides a robust and interpretable solution for conditional tabular data generation, with direct applicability to industries such as healthcare, fraud detection, and predictive maintenance where even small gains in minority cases can be critical.
Authors: Yicheng Zhang, Zhen Qin, Zhaomin Wu, Wenqi Zhang, Shuiguang Deng
Abstract: Retrieval-augmented generation (RAG) enables large language models (LLMs) to produce evidence-based responses, and its performance hinges on the matching between the retriever and LLMs. Retriever optimization has emerged as an efficient alternative to fine-tuning LLMs. However, existing solutions suffer from objective mismatch between retriever optimization and the goal of RAG pipeline. Reinforcement learning (RL) provides a promising solution to address this limitation, yet applying RL to retriever optimization introduces two fundamental challenges: 1) the deterministic retrieval is incompatible with RL formulations, and 2) state aliasing arises from query-only retrieval in multi-hop reasoning. To address these challenges, we replace deterministic retrieval with stochastic sampling and formulate RAG as a Markov decision process, making retriever optimizable by RL. Further, we incorporate retrieval history into the state at each retrieval step to mitigate state aliasing. Extensive experiments across diverse RAG pipelines, datasets, and retriever scales demonstrate consistent improvements of our approach in RAG performance.
Authors: Giovanni Luca Marchetti, Daniel Kunin, Adele Myers, Francisco Acosta, Nina Miolane
Abstract: How do neural networks trained over sequences acquire the ability to perform structured operations, such as arithmetic, geometric, and algorithmic computation? To gain insight into this question, we introduce the sequential group composition task. In this task, networks receive a sequence of elements from a finite group encoded in a real vector space and must predict their cumulative product. The task can be order-sensitive and requires a nonlinear architecture to be learned. Our analysis isolates the roles of the group structure, encoding statistics, and sequence length in shaping learning. We prove that two-layer networks learn this task one irreducible representation of the group at a time in an order determined by the Fourier statistics of the encoding. These networks can perfectly learn the task, but doing so requires a hidden width exponential in the sequence length $k$. In contrast, we show how deeper models exploit the associativity of the task to dramatically improve this scaling: recurrent neural networks compose elements sequentially in $k$ steps, while multilayer networks compose adjacent pairs in parallel in $\log k$ layers. Overall, the sequential group composition task offers a tractable window into the mechanics of deep learning.
Authors: Antonino Emanuele Scurria, Dimitri Vanden Abeele, Bortolo Matteo Mognetti, Serge Massar
Abstract: Equilibrium Propagation (EP) is a physics-inspired learning algorithm that uses stationary states of a dynamical system both for inference and learning. In its original formulation it is limited to conservative systems, $\textit{i.e.}$ to dynamics which derive from an energy function. Given their importance in applications, it is important to extend EP to nonconservative systems, $\textit{i.e.}$ systems with non-reciprocal interactions. Previous attempts to generalize EP to such systems failed to compute the exact gradient of the cost function. Here we propose a framework that extends EP to arbitrary nonconservative systems, including feedforward networks. We keep the key property of equilibrium propagation, namely the use of stationary states both for inference and learning. However, we modify the dynamics in the learning phase by a term proportional to the non-reciprocal part of the interaction so as to obtain the exact gradient of the cost function. This algorithm can also be derived using a variational formulation that generates the learning dynamics through an energy function defined over an augmented state space. Numerical experiments using the MNIST database show that this algorithm achieves better performance and learns faster than previous proposals.
Authors: Simon Dietz, Kai Klede, An Nguyen, Bjoern M Eskofier
Abstract: Log files record computational events that reflect system state and behavior, making them a primary source of operational insights in modern computer systems. Automated anomaly detection on logs is therefore critical, yet most established methods rely on log parsers that collapse messages into discrete templates, discarding variable values and semantic content. We propose ContraLog, a parser-free and self-supervised method that reframes log anomaly detection as predicting continuous message embeddings rather than discrete template IDs. ContraLog combines a message encoder that produces rich embeddings for individual log messages with a sequence encoder to model temporal dependencies within sequences. The model is trained with a combination of masked language modeling and contrastive learning to predict masked message embeddings based on the surrounding context. Experiments on the HDFS, BGL, and Thunderbird benchmark datasets empirically demonstrate effectiveness on complex datasets with diverse log messages. Additionally, we find that message embeddings generated by ContraLog carry meaningful information and are predictive of anomalies even without sequence context. These results highlight embedding-level prediction as an approach for log anomaly detection, with potential applicability to other event sequences.
Authors: Yizhou Liu, Ziming Liu, Cengiz Pehlevan, Jeff Gore
Abstract: Training large language models (LLMs) is computationally expensive, partly because the loss exhibits slow power-law convergence whose origin remains debatable. Through systematic analysis of toy models and empirical evaluation of LLMs, we show that this behavior can arise intrinsically from the use of softmax and cross-entropy. When learning peaked probability distributions, e.g., next-token distributions, these components yield power-law vanishing losses and gradients, creating a fundamental optimization bottleneck. This ultimately leads to power-law time scaling of the loss with a universal exponent of $1/3$. Our results provide a mechanistic explanation for observed neural scaling and suggest new directions for improving LLM training efficiency.
Authors: Mattia Sabella, Alberto Archetti, Pietro Pinoli, Matteo Matteucci, Cinzia Cappiello
Abstract: Tabular machine learning systems are frequently trained on data affected by non-uniform corruption, including noisy measurements, missing entries, and feature-specific biases. In practice, these defects are often documented only through column-level reliability indicators rather than instance-wise quality annotations, limiting the applicability of many robustness and cleaning techniques. We present QuAIL, a quality-informed training mechanism that incorporates feature reliability priors directly into the learning process. QuAIL augments existing models with a learnable feature-modulation layer whose updates are selectively constrained by a quality-dependent proximal regularizer, thereby inducing controlled adaptation across features of varying trustworthiness. This stabilizes optimization under structured corruption without explicit data repair or sample-level reweighting. Empirical evaluation across 50 classification and regression datasets demonstrates that QuAIL consistently improves average performance over neural baselines under both random and value-dependent corruption, with especially robust behavior in low-data and systematically biased settings. These results suggest that incorporating feature reliability information directly into optimization dynamics is a practical and effective approach for resilient tabular learning.
Authors: Zishi Zhang, Jinhui Han, Ming Hu, Yijie Peng
Abstract: We consider small-data, large-scale decision problems in which a firm must make many operational decisions simultaneously (e.g., across a large product portfolio) while observing only a few, potentially noisy, data points per instance. Inspired by the success of large language models (LLMs), we propose a pretrain-then-finetune approach built on a designed Transformer model to address this challenge. The model is first pretrained on large-scale, domain-informed synthetic data that encode managerial knowledge and structural features of the decision environment, and is then fine-tuned on real observations. This new pipeline offers two complementary advantages: pretraining injects domain knowledge into the learning process and enables the training of high-capacity models using abundant synthetic data, while finetuning adapts the pretrained model to the operational environment and improves alignment with the true data-generating regime. While we have leveraged the Transformer's state-of-the-art representational capacity, particularly its attention mechanism, to efficiently extract cross-task structure, our approach is not an off-the-shelf application. Instead, it relies on problem-specific architectural design and a tailored training procedure to match the decision setting. Theoretically, we develop the first comprehensive error analysis regarding Transformer learning in relevant contexts, establishing nonasymptotic guarantees that validate the method's effectiveness. Critically, our analysis reveals how pretraining and fine-tuning jointly determine performance, with the dominant contribution governed by whichever is more favorable. In particular, finetuning exhibits an economies-of-scale effect, whereby transfer learning becomes increasingly effective as the number of instances grows.
Authors: Duy Nguyen, Hanqi Xiao, Archiki Prasad, Elias Stengel-Eskin, Hyunji Lee, Mohit Bansal
Abstract: Large language models (LLMs) rely on internal knowledge to solve many downstream tasks, making it crucial to keep them up to date. Since full retraining is expensive, prior work has explored efficient alternatives such as model editing and parameter-efficient fine-tuning. However, these approaches often break down in practice due to poor generalization across inputs, limited stability, and knowledge conflict. To address these limitations, we propose the CoRSA (Conflict-Resolving and Sharpness-Aware Minimization) training framework, a parameter-efficient, holistic approach for knowledge editing with multiple updates. CoRSA tackles multiple challenges simultaneously: it improves generalization to different input forms and enhances stability across multiple updates by minimizing loss curvature, and resolves conflicts by maximizing the margin between new and prior knowledge. Across three widely used fact editing benchmarks, CoRSA achieves significant gains in generalization, outperforming baselines with average absolute improvements of 12.42% over LoRA and 10% over model editing methods. With multiple updates, it maintains high update efficacy while reducing catastrophic forgetting by 27.82% compared to LoRA. CoRSA also generalizes to the code domain, outperforming the strongest baseline by 5.48% Pass@5 in update efficacy.
Authors: Dylan Sandfelder, Mihai Cucuringu, Xiaowen Dong
Abstract: We introduce Adaptive Spectral Shaping, a data-driven framework for graph filtering that learns a reusable baseline spectral kernel and modulates it with a small set of Gaussian factors. The resulting multi-peak, multi-scale responses allocate energy to heterogeneous regions of the Laplacian spectrum while remaining interpretable via explicit centers and bandwidths. To scale, we implement filters with Chebyshev polynomial expansions, avoiding eigendecompositions. We further propose Transferable Adaptive Spectral Shaping (TASS): the baseline kernel is learned on source graphs and, on a target graph, kept fixed while only the shaping parameters are adapted, enabling few-shot transfer under matched compute. Across controlled synthetic benchmarks spanning graph families and signal regimes, Adaptive Spectral Shaping reduces reconstruction error relative to fixed-prototype wavelets and learned linear banks, and TASS yields consistent positive transfer. The framework provides compact spectral modules that plug into graph signal processing pipelines and graph neural networks, combining scalability, interpretability, and cross-graph generalization.
Authors: Alexandru Meterez, Pranav Ajit Nair, Depen Morwani, Cengiz Pehlevan, Sham Kakade
Abstract: Large language models are increasingly trained in continual or open-ended settings, where the total training horizon is not known in advance. Despite this, most existing pretraining recipes are not anytime: they rely on horizon-dependent learning rate schedules and extensive tuning under a fixed compute budget. In this work, we provide a theoretical analysis demonstrating the existence of anytime learning schedules for overparameterized linear regression, and we highlight the central role of weight averaging - also known as model merging - in achieving the minimax convergence rates of stochastic gradient descent. We show that these anytime schedules polynomially decay with time, with the decay rate determined by the source and capacity conditions of the problem. Empirically, we evaluate 150M and 300M parameter language models trained at 1-32x Chinchilla scale, comparing constant learning rates with weight averaging and $1/\sqrt{t}$ schedules with weight averaging against a well-tuned cosine schedule. Across the full training range, the anytime schedules achieve comparable final loss to cosine decay. Taken together, our results suggest that weight averaging combined with simple, horizon-free step sizes offers a practical and effective anytime alternative to cosine learning rate schedules for large language model pretraining.
Authors: Henrik Schopmans, Christopher von Klitzing, Pascal Friederich
Abstract: Sampling from unnormalized probability densities is a central challenge in computational science. Boltzmann generators are generative models that enable independent sampling from the Boltzmann distribution of physical systems at a given temperature. However, their practical success depends on data-efficient training, as both simulation data and target energy evaluations are costly. To this end, we propose off-policy log-dispersion regularization (LDR), a novel regularization framework that builds on a generalization of the log-variance objective. We apply LDR in the off-policy setting in combination with standard data-based training objectives, without requiring additional on-policy samples. LDR acts as a shape regularizer of the energy landscape by leveraging additional information in the form of target energy labels. The proposed regularization framework is broadly applicable, supporting unbiased or biased simulation datasets as well as purely variational training without access to target samples. Across all benchmarks, LDR improves both final performance and data efficiency, with sample efficiency gains of up to one order of magnitude.
Authors: Themistoklis Haris, Steve Choi, Mutiraj Laksanawisit
Abstract: The Multiplicative Weights Exponential Mechanism (MWEM) is a fundamental iterative framework for private data analysis, with broad applications such as answering $m$ linear queries, or privately solving systems of $m$ linear constraints. However, a critical bottleneck hindering its scalability is the $\Theta(m)$ time complexity required to execute the exponential mechanism in each iteration. We introduce a modification to the MWEM framework that improves the per-iteration runtime dependency to $\Theta(\sqrt{m})$ in expectation. This is done via a lazy sampling approach to the Report-Noisy-Max mechanism, which we implement efficiently using Gumbel noise and a $k$-Nearest Neighbor data structure. This allows for the rapid selection of the approximate score in the exponential mechanism without an exhaustive linear scan. We apply our accelerated framework to the problems of private linear query release and solving Linear Programs (LPs) under neighboring constraint conditions and low-sensitivity assumptions. Experimental evaluation confirms that our method provides a substantial runtime improvement over classic MWEM.
Authors: M. A. Fernandes, E. Gildin, M. A. Sampaio
Abstract: Monitoring bottom-hole variables in petroleum wells is essential for production optimization, safety, and emissions reduction. Permanent Downhole Gauges (PDGs) provide real-time pressure data but face reliability and cost issues. We propose a machine learning-based soft sensor to estimate flowing Bottom-Hole Pressure (BHP) using wellhead and topside measurements. A Long Short-Term Memory (LSTM) model is introduced and compared with Multi-Layer Perceptron (MLP) and Ridge Regression. We also pioneer Transfer Learning for adapting models across operational environments. Tested on real offshore datasets from Brazil's Pre-salt basin, the methodology achieved Mean Absolute Percentage Error (MAPE) consistently below 2\%, outperforming benchmarks. This work offers a cost-effective, accurate alternative to physical sensors, with broad applicability across diverse reservoir and flow conditions.
Authors: Rajat Masiwal, Colin Aitken, Adam Marchakitus, Mayank Gupta, Katherine Kowal, Hamid A. Pahlavan, Tyler Yang, Y. Qiang Sun, Michael Kremer, Amir Jina, William R. Boos, Pedram Hassanzadeh
Abstract: Artificial intelligence weather prediction (AIWP) models now often outperform traditional physics-based models on common metrics while requiring orders-of-magnitude less computing resources and time. Open-access AIWP models thus hold promise as transformational tools for helping low- and middle-income populations make decisions in the face of high-impact weather shocks. Yet, current approaches to evaluating AIWP models focus mainly on aggregated meteorological metrics without considering local stakeholders' needs in decision-oriented, operational frameworks. Here, we introduce such a framework that connects meteorology, AI, and social sciences. As an example, we apply it to the 150-year-old problem of Indian monsoon forecasting, focusing on benefits to rain-fed agriculture, which is highly susceptible to climate change. AIWP models skillfully predict an agriculturally relevant onset index at regional scales weeks in advance when evaluated out-of-sample using deterministic and probabilistic metrics. This framework informed a government-led effort in 2025 to send 38 million Indian farmers AI-based monsoon onset forecasts, which captured an unusual weeks-long pause in monsoon progression. This decision-oriented benchmarking framework provides a key component of a blueprint for harnessing the power of AIWP models to help large vulnerable populations adapt to weather shocks in the face of climate variability and change.
Authors: Andre He, Sean Welleck, Daniel Fried
Abstract: Discrete diffusion models have recently become competitive with autoregressive models for language modeling, even outperforming them on reasoning tasks requiring planning and global coherence, but they require more computation at inference time. We trace this trade-off to a key mechanism: diffusion models are trained to jointly predict a distribution over all unknown tokens, including those that will not actually be decoded in the current step. Ablating this joint prediction yields faster inference but degrades performance, revealing that accurate prediction at the decoded position relies on joint reasoning about the distribution of undecoded tokens. We interpret these as latent tokens and introduce a method for modulating their number, demonstrating empirically that this enables a smooth tradeoff between inference speed and sample quality. Furthermore, we demonstrate that latent tokens can be introduced into autoregressive models through an auxiliary multi-token prediction objective, yielding substantial improvements on the same reasoning tasks where they have traditionally struggled. Our results suggest that latent tokens, while arising naturally in diffusion, represent a general mechanism for improving performance on tasks requiring global coherence or lookahead.
Authors: Changhao Wang, Yunfei Yu, Xinhao Yao, Jiaolong Yang, Riccardo Cantoro, Chaobo Li, Qing Cui, Jun Zhou
Abstract: The scaling of Large Language Models (LLMs) is increasingly limited by data quality. Most methods handle data mixing and sample selection separately, which can break the structure in code corpora. We introduce \textbf{UniGeM}, a framework that unifies mixing and selection by treating data curation as a \textit{manifold approximation} problem without training proxy models or relying on external reference datasets. UniGeM operates hierarchically: \textbf{Macro-Exploration} learns mixing weights with stability-based clustering; \textbf{Micro-Mining} filters high-quality instances by their geometric distribution to ensure logical consistency. Validated by training 8B and 16B MoE models on 100B tokens, UniGeM achieves \textbf{2.0$\times$ data efficiency} over a random baseline and further improves overall performance compared to SOTA methods in reasoning-heavy evaluations and multilingual generalization.
Authors: Ian Wu, Yuxiao Qu, Amrith Setlur, Aviral Kumar
Abstract: Large Language Models (LLMs) that can continually improve beyond their training budgets are able to solve increasingly difficult problems by adapting at test time, a property we refer to as extrapolation. However, standard reinforcement learning (RL) operates over fixed problem distributions and training budgets, which limits extrapolation amidst distribution shift at test time. To address this, we introduce RC, an iterative decoding algorithm that replaces standard autoregressive decoding during both training and inference. RC exploits an asymmetry between the response generation and summarization capabilities of LLMs to construct reasoning chains that consistently improve across iterations. Models trained to use RC can extrapolate and continually improve over reasoning horizons more than an order of magnitude longer than those seen during training. Empirically, training a 4B model with RC using a 16k-token training budget improves performance on HMMT 2025 from 40% to nearly 70% with 0.5m tokens at test time, outperforming both comparably sized models and many larger reasoning LLMs. Finally, we also show that models trained with RC can more effectively leverage existing scaffolds to further scale test-time performance, due to the improved summary-conditioned generation abilities learned through training.
Authors: Aneri Muni, Vincent Taboga, Esther Derman, Pierre-Luc Bacon, Erick Delage
Abstract: Tail-end risk measures such as static conditional value-at-risk (CVaR) are used in safety-critical applications to prevent rare, yet catastrophic events. Unlike risk-neutral objectives, the static CVaR of the return depends on entire trajectories without admitting a recursive Bellman decomposition in the underlying Markov decision process. A classical resolution relies on state augmentation with a continuous variable. However, unless restricted to a specialized class of admissible value functions, this formulation induces sparse rewards and degenerate fixed points. In this work, we propose a novel formulation of the static CVaR objective based on augmentation. Our alternative approach leads to a Bellman operator with: (1) dense per-step rewards; (2) contracting properties on the full space of bounded value functions. Building on this theoretical foundation, we develop risk-averse value iteration and model-free Q-learning algorithms that rely on discretized augmented states. We further provide convergence guarantees and approximation error bounds due to discretization. Empirical results demonstrate that our algorithms successfully learn CVaR-sensitive policies and achieve effective performance-safety trade-offs.
Authors: Zhenshuo Zhang, Minxuan Duan, Hongyang R. Zhang
Abstract: Modern AI agents such as large language models are trained on diverse tasks -- translation, code generation, mathematical reasoning, and text prediction -- simultaneously. A key question is to quantify how each individual training task influences performance on a target task, a problem we refer to as task attribution. The direct approach, leave-one-out retraining, measures the effect of removing each task, but is computationally infeasible at scale. An alternative approach that builds surrogate models to predict a target task's performance for any subset of training tasks has emerged in recent literature. Prior work focuses on linear surrogate models, which capture first-order relationships, but miss nonlinear interactions such as synergy, antagonism, or XOR-type effects. In this paper, we first consider a unified task weighting framework for analyzing task attribution methods, and show a new connection between linear surrogate models and influence functions through a second-order analysis. Then, we introduce kernel surrogate models, which more effectively represent second-order task interactions. To efficiently learn the kernel surrogate, we develop a gradient-based estimation procedure that leverages a first-order approximation of pretrained models; empirically, this yields accurate estimates with less than $2\%$ relative error without repeated retraining. Experiments across multiple domains -- including math reasoning in transformers, in-context learning, and multi-objective reinforcement learning -- demonstrate the effectiveness of kernel surrogate models. They achieve a $25\%$ higher correlation with the leave-one-out ground truth than linear surrogates and influence-function baselines. When used for downstream task selection, kernel surrogate models yield a $40\%$ improvement in demonstration selection for in-context learning and multi-objective reinforcement learning benchmarks.
Authors: Somnath Basu Roy Chowdhury, Rahul Kidambi, Avinava Dubey, David Wang, Gokhan Mergen, Amr Ahmed, Aranyak Mehta
Abstract: Machine unlearning is the process of efficiently removing specific information from a trained machine learning model without retraining from scratch. Existing unlearning methods, which often provide provable guarantees, typically involve retraining a subset of model parameters based on a forget set. While these approaches show promise in certain scenarios, their underlying assumptions are often challenged in real-world applications -- particularly when applied to generative models. Furthermore, updating parameters using these unlearning procedures often degrades the general-purpose capabilities the model acquired during pre-training. Motivated by these shortcomings, this paper considers the paradigm of inference time unlearning -- wherein, the generative model is equipped with an (approximately correct) verifier that judges whether the model's response satisfies appropriate unlearning guarantees. This paper introduces a framework that iteratively refines the quality of the generated responses using feedback from the verifier without updating the model parameters. The proposed framework leverages conformal prediction to reduce computational overhead and provide distribution-free unlearning guarantees. This paper's approach significantly outperforms existing state-of-the-art methods, reducing unlearning error by up to 93% across challenging unlearning benchmarks.
Authors: Bogdan Kulynych, Theresa Stadler, Jean Louis Raisaro, Carmela Troncoso
Abstract: Recent advances in generative modelling have led many to see synthetic data as the go-to solution for a range of problems around data access, scarcity, and under-representation. In this paper, we study three prominent use cases: (1) Sharing synthetic data as a proxy for proprietary datasets to enable statistical analyses while protecting privacy, (2) Augmenting machine learning training sets with synthetic data to improve model performance, and (3) Augmenting datasets with synthetic data to reduce variance in statistical estimation. For each use case, we formalise the problem setting and study, through formal analysis and case studies, under which conditions synthetic data can achieve its intended objectives. We identify fundamental and practical limits that constrain when synthetic data can serve as an effective solution for a particular problem. Our analysis reveals that due to these limits many existing or envisioned use cases of synthetic data are a poor problem fit. Our formalisations and classification of synthetic data use cases enable decision makers to assess whether synthetic data is a suitable approach for their specific data availability problem.
Authors: Ananya Parashar, Derek Long, Dwaipayan Saha, Krzysztof Choromanski
Abstract: We present a new paradigm for creating random features to approximate bi-variate functions (in particular, kernels) defined on general manifolds. This new mechanism of Manifold Random Features (MRFs) leverages discretization of the manifold and the recently introduced technique of Graph Random Features (GRFs) to learn continuous fields on manifolds. Those fields are used to find continuous approximation mechanisms that otherwise, in general scenarios, cannot be derived analytically. MRFs provide positive and bounded features, a key property for accurate, low-variance approximation. We show deep asymptotic connection between GRFs, defined on discrete graph objects, and continuous random features used for regular kernels. As a by-product of our method, we re-discover recently introduced mechanism of Gaussian kernel approximation applied in particular to improve linear-attention Transformers, considering simple random walks on graphs and by-passing original complex mathematical computations. We complement our algorithm with a rigorous theoretical analysis and verify in thorough experimental studies.
Authors: Aidan Furlong, Robert Salko, Xingang Zhao, Xu Wu
Abstract: The prediction of critical heat flux (CHF) using machine learning (ML) approaches has become a highly active research activity in recent years, the goal of which is to build models more accurate than current conventional approaches such as empirical correlations or lookup tables (LUTs). Previous work developed and deployed tube-based pure and hybrid ML models in the CTF subchannel code, however, full-scale reactor core simulations require the use of rod bundle geometries. Unlike isolated subchannels, rod bundles experience complex thermal hydraulic phenomena such as channel crossflow, spacer grid losses, and effects from unheated conductors. This study investigates the generalization of ML-based CHF prediction models in rod bundles after being trained on tube-based CHF data. A purely data-driven DNN and two hybrid bias-correction models were implemented in the CTF subchannel code and used to predict CHF location and magnitude in the Combustion Engineering 5-by-5 bundle CHF test series. The W-3 correlation, Bowring correlation, and Groeneveld LUT were used as baseline comparators. On average, all three ML-based approaches produced magnitude and location predictions more accurate than the baseline models, with the hybrid LUT model exhibiting the most favorable performance metrics.
Authors: Ziru Chen, Dongdong Chen, Ruinan Jin, Yingbin Liang, Yujia Xie, Huan Sun
Abstract: Recently, there have been significant research interests in training large language models (LLMs) with reinforcement learning (RL) on real-world tasks, such as multi-turn code generation. While online RL tends to perform better than offline RL, its higher training cost and instability hinders wide adoption. In this paper, we build on the observation that multi-turn code generation can be formulated as a one-step recoverable Markov decision process and propose contextual bandit learning with offline trajectories (Cobalt), a new method that combines the benefits of online and offline RL. Cobalt first collects code generation trajectories using a reference LLM and divides them into partial trajectories as contextual prompts. Then, during online bandit learning, the LLM is trained to complete each partial trajectory prompt through single-step code generation. Cobalt outperforms two multi-turn online RL baselines based on GRPO and VeRPO, and substantially improves R1-Distill 8B and Qwen3 8B by up to 9.0 and 6.2 absolute Pass@1 scores on LiveCodeBench. Also, we analyze LLMs' in-context reward hacking behaviors and augment Cobalt training with perturbed trajectories to mitigate this issue. Overall, our results demonstrate Cobalt as a promising solution for iterative decision-making tasks like multi-turn code generation. Our code and data are available at https://github.com/OSU-NLP-Group/cobalt.
Authors: Abdul Joseph Fofanah, Lian Wen, David Chen, Shaoyang Zhang
Abstract: Imbalanced node classification in graph neural networks (GNNs) happens when some labels are much more common than others, which causes the model to learn unfairly and perform badly on the less common classes. To solve this problem, we propose a Curriculum-Guided Feature Learning and Three-Stage Attention Network (CL3AN-GNN), a learning network that uses a three-step attention system (Engage, Enact, Embed) similar to how humans learn. The model begins by engaging with structurally simpler features, defined as (1) local neighbourhood patterns (1-hop), (2) low-degree node attributes, and (3) class-separable node pairs identified via initial graph convolutional networks and graph attention networks (GCN and GAT) embeddings. This foundation enables stable early learning despite label skew. The Enact stage then addresses complicated aspects: (1) connections that require multiple steps, (2) edges that connect different types of nodes, and (3) nodes at the edges of minority classes by using adjustable attention weights. Finally, Embed consolidates these features via iterative message passing and curriculum-aligned loss weighting. We evaluate CL3AN-GNN on eight Open Graph Benchmark datasets spanning social, biological, and citation networks. Experiments show consistent improvements across all datasets in accuracy, F1-score, and AUC over recent state-of-the-art methods. The model's step-by-step method works well with different types of graph datasets, showing quicker results than training everything at once, better performance on new, imbalanced graphs, and clear explanations of each step using gradient stability and attention correlation learning curves. This work provides both a theoretically grounded framework for curriculum learning in GNNs and practical evidence of its effectiveness against imbalances, validated through metrics, convergence speeds, and generalisation tests.
Authors: Yixuan Even Xu, John Kirchenbauer, Yash Savani, Asher Trockman, Alexander Robey, Tom Goldstein, Fei Fang, J. Zico Kolter
Abstract: Model distillation enables efficient emulation of frontier large language models (LLMs), creating a need for robust mechanisms to detect when a third-party student model has trained on a teacher model's outputs. However, existing fingerprinting techniques that could be used to detect such distillation rely on heuristic perturbations that impose a steep trade-off between generation quality and fingerprinting strength, often requiring significant degradation of utility to ensure the fingerprint is effectively internalized by the student. We introduce antidistillation fingerprinting (ADFP), a principled approach that aligns the fingerprinting objective with the student's learning dynamics. Building upon the gradient-based framework of antidistillation sampling, ADFP utilizes a proxy model to identify and sample tokens that directly maximize the expected detectability of the fingerprint in the student after fine-tuning, rather than relying on the incidental absorption of the un-targeted biases of a more naive watermark. Experiments on GSM8K and OASST1 benchmarks demonstrate that ADFP achieves a significant Pareto improvement over state-of-the-art baselines, yielding stronger detection confidence with minimal impact on utility, even when the student model's architecture is unknown.
Authors: Yesom Park, Annie C. Lu, Shao-Ching Huang, Qiyang Hu, Y. Sungtaek Ju, Stanley Osher
Abstract: We propose SymPlex, a reinforcement learning framework for discovering analytical symbolic solutions to partial differential equations (PDEs) without access to ground-truth expressions. SymPlex formulates symbolic PDE solving as tree-structured decision-making and optimizes candidate solutions using only the PDE and its boundary conditions. At its core is SymFormer, a structure-aware Transformer that models hierarchical symbolic dependencies via tree-relative self-attention and enforces syntactic validity through grammar-constrained autoregressive decoding, overcoming the limited expressivity of sequence-based generators. Unlike numerical and neural approaches that approximate solutions in discretized or implicit function spaces, SymPlex operates directly in symbolic expression space, enabling interpretable and human-readable solutions that naturally represent non-smooth behavior and explicit parametric dependence. Empirical results demonstrate exact recovery of non-smooth and parametric PDE solutions using deep learning-based symbolic methods.
Authors: Ethan Pronovost, Khimya Khetarpal, Siddhartha Srinivasa
Abstract: Human interventions are a common source of data in autonomous systems during testing. These interventions provide an important signal about where the current policy needs improvement, but are often noisy and incomplete. We define Robust Intervention Learning (RIL) as the problem of learning from intervention data while remaining robust to the quality and informativeness of the intervention signal. In the best case, interventions are precise and avoiding them is sufficient to solve the task, but in many realistic settings avoiding interventions is necessary but not sufficient for achieving good performance. We study robust intervention learning in the context of emergency stop interventions and propose Residual Intervention Fine-Tuning (RIFT), a residual fine-tuning algorithm that treats intervention feedback as an incomplete learning signal and explicitly combines it with a prior policy. By framing intervention learning as a fine-tuning problem, our approach leverages structure encoded in the prior policy to resolve ambiguity when intervention signals under-specify the task. We provide theoretical analysis characterizing conditions under which this formulation yields principled policy improvement, and identify regimes where intervention learning is expected to fail. Our experiments reveal that residual fine-tuning enables robust and consistent policy improvement across a range of intervention strategies and prior policy qualities, and highlight robust intervention learning as a promising direction for future work.
Authors: Erfan Miahi, Eugene Belilovsky
Abstract: Reinforcement learning (RL) is a critical component for post-training large language models (LLMs). However, in bandwidth-constrained distributed RL, scalability is often bottlenecked by the synchronization of policy weights from trainers to inference workers, particularly over commodity networks or in decentralized settings. While recent studies suggest that RL updates modify only a small fraction of model parameters, these observations are typically based on coarse checkpoint differences. We present a systematic empirical study of weight-update sparsity at both step-level and multi-step granularities, examining its evolution across training dynamics, off-policy delay, and model scale. We find that update sparsity is consistently high, frequently exceeding 99% across practically relevant settings. Leveraging this structure, we propose PULSE (Patch Updates via Lossless Sparse Encoding), a simple yet highly efficient lossless weight synchronization method that transmits only the indices and values of modified parameters. PULSE is robust to transmission errors and avoids floating-point drift inherent in additive delta schemes. In bandwidth-constrained decentralized environments, our approach achieves over 100x (14 GB to ~108 MB) communication reduction while maintaining bit-identical training dynamics and performance compared to full weight synchronization. By exploiting this structure, PULSE enables decentralized RL training to approach centralized throughput, reducing the bandwidth required for weight synchronization from 20 Gbit/s to 0.2 Gbit/s to maintain high GPU utilization.
Authors: Romain Cosentino
Abstract: We develop a continual learning method for pretrained models that \emph{requires no access to old-task data}, addressing a practical barrier in foundation model adaptation where pretraining distributions are often unavailable. Our key observation is that pretrained networks exhibit substantial \emph{geometric redundancy}, and that this redundancy can be exploited in two complementary ways. First, redundant neurons provide a proxy for dominant pretraining-era feature directions, enabling the construction of approximately protected update subspaces directly from pretrained weights. Second, redundancy offers a natural bias for \emph{where} to place plasticity: by restricting updates to a subset of redundant neurons and constraining the remaining degrees of freedom, we obtain update families with reduced functional drift on the old-data distribution and improved worst-case retention guarantees. These insights lead to \textsc{PLATE} (\textbf{Pla}sticity-\textbf{T}unable \textbf{E}fficient Adapters), a continual learning method requiring no past-task data that provides explicit control over the plasticity-retention trade-off. PLATE parameterizes each layer with a structured low-rank update $\Delta W = B A Q^\top$, where $B$ and $Q$ are computed once from pretrained weights and kept frozen, and only $A$ is trained on the new task. The code is available at https://github.com/SalesforceAIResearch/PLATE.
Authors: Kimi Team, Tongtong Bai, Yifan Bai, Yiping Bao, S. H. Cai, Yuan Cao, Y. Charles, H. S. Che, Cheng Chen, Guanduo Chen, Huarong Chen, Jia Chen, Jiahao Chen, Jianlong Chen, Jun Chen, Kefan Chen, Liang Chen, Ruijue Chen, Xinhao Chen, Yanru Chen, Yanxu Chen, Yicun Chen, Yimin Chen, Yingjiang Chen, Yuankun Chen, Yujie Chen, Yutian Chen, Zhirong Chen, Ziwei Chen, Dazhi Cheng, Minghan Chu, Jialei Cui, Jiaqi Deng, Muxi Diao, Hao Ding, Mengfan Dong, Mengnan Dong, Yuxin Dong, Yuhao Dong, Angang Du, Chenzhuang Du, Dikang Du, Lingxiao Du, Yulun Du, Yu Fan, Shengjun Fang, Qiulin Feng, Yichen Feng, Garimugai Fu, Kelin Fu, Hongcheng Gao, Tong Gao, Yuyao Ge, Shangyi Geng, Chengyang Gong, Xiaochen Gong, Zhuoma Gongque, Qizheng Gu, Xinran Gu, Yicheng Gu, Longyu Guan, Yuanying Guo, Xiaoru Hao, Weiran He, Wenyang He, Yunjia He, Chao Hong, Hao Hu, Jiaxi Hu, Yangyang Hu, Zhenxing Hu, Ke Huang, Ruiyuan Huang, Weixiao Huang, Zhiqi Huang, Tao Jiang, Zhejun Jiang, Xinyi Jin, Yu Jing, Guokun Lai, Aidi Li, C. Li, Cheng Li, Fang Li, Guanghe Li, Guanyu Li, Haitao Li, Haoyang Li, Jia Li, Jingwei Li, Junxiong Li, Lincan Li, Mo Li, Weihong Li, Wentao Li, Xinhang Li, Xinhao Li, Yang Li, Yanhao Li, Yiwei Li, Yuxiao Li, Zhaowei Li, Zheming Li, Weilong Liao, Jiawei Lin, Xiaohan Lin, Zhishan Lin, Zichao Lin, Cheng Liu, Chenyu Liu, Hongzhang Liu, Liang Liu, Shaowei Liu, Shudong Liu, Shuran Liu, Tianwei Liu, Tianyu Liu, Weizhou Liu, Xiangyan Liu, Yangyang Liu, Yanming Liu, Yibo Liu, Yuanxin Liu, Yue Liu, Zhengying Liu, Zhongnuo Liu, Enzhe Lu, Haoyu Lu, Zhiyuan Lu, Junyu Luo, Tongxu Luo, Yashuo Luo, Long Ma, Yingwei Ma, Shaoguang Mao, Yuan Mei, Xin Men, Fanqing Meng, Zhiyong Meng, Yibo Miao, Minqing Ni, Kun Ouyang, Siyuan Pan, Bo Pang, Yuchao Qian, Ruoyu Qin, Zeyu Qin, Jiezhong Qiu, Bowen Qu, Zeyu Shang, Youbo Shao, Tianxiao Shen, Zhennan Shen, Juanfeng Shi, Lidong Shi, Shengyuan Shi, Feifan Song, Pengwei Song, Tianhui Song, Xiaoxi Song, Hongjin Su, Jianlin Su, Zhaochen Su, Lin Sui, Jinsong Sun, Junyao Sun, Tongyu Sun, Flood Sung, Yunpeng Tai, Chuning Tang, Heyi Tang, Xiaojuan Tang, Zhengyang Tang, Jiawen Tao, Shiyuan Teng, Chaoran Tian, Pengfei Tian, Ao Wang, Bowen Wang, Chensi Wang, Chuang Wang, Congcong Wang, Dingkun Wang, Dinglu Wang, Dongliang Wang, Feng Wang, Hailong Wang, Haiming Wang, Hengzhi Wang, Huaqing Wang, Hui Wang, Jiahao Wang, Jinhong Wang, Jiuzheng Wang, Kaixin Wang, Linian Wang, Qibin Wang, Shengjie Wang, Shuyi Wang, Si Wang, Wei Wang, Xiaochen Wang, Xinyuan Wang, Yao Wang, Yejie Wang, Yipu Wang, Yiqin Wang, Yucheng Wang, Yuzhi Wang, Zhaoji Wang, Zhaowei Wang, Zhengtao Wang, Zhexu Wang, Zihan Wang, Zizhe Wang, Chu Wei, Ming Wei, Chuan Wen, Zichen Wen, Chengjie Wu, Haoning Wu, Junyan Wu, Rucong Wu, Wenhao Wu, Yuefeng Wu, Yuhao Wu, Yuxin Wu, Zijian Wu, Chenjun Xiao, Jin Xie, Xiaotong Xie, Yuchong Xie, Yifei Xin, Bowei Xing, Boyu Xu, Jianfan Xu, Jing Xu, Jinjing Xu, L. H. Xu, Lin Xu, Suting Xu, Weixin Xu, Xinbo Xu, Xinran Xu, Yangchuan Xu, Yichang Xu, Yuemeng Xu, Zelai Xu, Ziyao Xu, Junjie Yan, Yuzi Yan, Guangyao Yang, Hao Yang, Junwei Yang, Kai Yang, Ningyuan Yang, Ruihan Yang, Xiaofei Yang, Xinlong Yang, Ying Yang, Yi Yang, Yi Yang, Zhen Yang, Zhilin Yang, Zonghan Yang, Haotian Yao, Dan Ye, Wenjie Ye, Zhuorui Ye, Bohong Yin, Chengzhen Yu, Longhui Yu, Tao Yu, Tianxiang Yu, Enming Yuan, Mengjie Yuan, Xiaokun Yuan, Yang Yue, Weihao Zeng, Dunyuan Zha, Haobing Zhan, Dehao Zhang, Hao Zhang, Jin Zhang, Puqi Zhang, Qiao Zhang, Rui Zhang, Xiaobin Zhang, Y. Zhang, Yadong Zhang, Yangkun Zhang, Yichi Zhang, Yizhi Zhang, Yongting Zhang, Yu Zhang, Yushun Zhang, Yutao Zhang, Yutong Zhang, Zheng Zhang, Chenguang Zhao, Feifan Zhao, Jinxiang Zhao, Shuai Zhao, Xiangyu Zhao, Yikai Zhao, Zijia Zhao, Huabin Zheng, Ruihan Zheng, Shaojie Zheng, Tengyang Zheng, Junfeng Zhong, Longguang Zhong, Weiming Zhong, M. Zhou, Runjie Zhou, Xinyu Zhou, Zaida Zhou, Jinguo Zhu, Liya Zhu, Xinhao Zhu, Yuxuan Zhu, Zhen Zhu, Jingze Zhuang, Weiyu Zhuang, Ying Zou, Xinxing Zu
Abstract: We introduce Kimi K2.5, an open-source multimodal agentic model designed to advance general agentic intelligence. K2.5 emphasizes the joint optimization of text and vision so that two modalities enhance each other. This includes a series of techniques such as joint text-vision pre-training, zero-vision SFT, and joint text-vision reinforcement learning. Building on this multimodal foundation, K2.5 introduces Agent Swarm, a self-directed parallel agent orchestration framework that dynamically decomposes complex tasks into heterogeneous sub-problems and executes them concurrently. Extensive evaluations show that Kimi K2.5 achieves state-of-the-art results across various domains including coding, vision, reasoning, and agentic tasks. Agent Swarm also reduces latency by up to $4.5\times$ over single-agent baselines. We release the post-trained Kimi K2.5 model checkpoint to facilitate future research and real-world applications of agentic intelligence.
Authors: Baturay Saglam, Dionysis Kalogerias
Abstract: Large language models can produce toxic or inappropriate text even for benign inputs, creating risks when deployed at scale. Detoxification is therefore important for safety and user trust, particularly when we want to reduce harmful content without sacrificing the model's generation quality. Many existing approaches rely on model retraining, gradients, or learned auxiliary components, which can be costly and may not transfer across model families or to truly black-box settings. We introduce a test-time procedure that approximates the gradient of completion toxicity with respect to the input embeddings and uses a small number of descent steps to steer generation toward less toxic continuations. This is achieved with zeroth-order optimization that requires only access to input embeddings, a toxicity scoring function, and forward evaluations of the model. Empirically, the approach delivers robust toxicity reductions across models and prompts and, in most settings, achieves the best overall toxicity-quality trade-off. More broadly, our work positions word embeddings as effective control variables and encourages wider use of black-box optimization to guide autoregressive language models toward scalable, safer text generation, without requiring any training or access to intermediate computations.
Authors: Hao-Yuan He, Ming Li
Abstract: This paper investigates learning-augmented algorithms for smooth integer programs, covering canonical problems such as MAX-CUT and MAX-k-SAT. We introduce a framework that incorporates a predictive oracle to construct a linear surrogate of the objective, which is then solved via linear programming followed by a rounding procedure. Crucially, our framework ensures that the solution quality is both consistent and smooth against prediction errors. We demonstrate that this approach effectively extends tractable approximations from the classical dense regime to the near-dense regime. Furthermore, we go beyond the assumption of oracle existence by establishing its PAC-learnability. We prove that the induced algorithm class possesses a bounded pseudo-dimension, thereby ensuring that an oracle with near-optimal expected performance can be learned with polynomial samples.
Authors: Pratik Lahiri, Bingqing Ge, Zhou Qin, Aditya Jumde, Shuning Huo, Lucas Scottini, Yi Liu, Mahmoud Mamlouk, Wenyang Liu
Abstract: E-commerce Search Results Pages (SRPs) are evolving from linear lists to complex, non-linear layouts, rendering traditional position-biased ranking models insufficient. Moreover, existing optimization frameworks typically maximize short-term signals (e.g., clicks, same-day revenue) because long-term satisfaction metrics (e.g., expected two-week revenue) involve delayed feedback and challenging long-horizon credit attribution. To bridge these gaps, we propose a novel Whole-Page Experience Optimization Framework. Unlike traditional list-wise rankers, our approach explicitly models the interplay between item relevance, 2D positional layout, and visual elements. We use a causal framework to develop metrics for measuring long-term user satisfaction based on quasi-experimental data. We validate our approach through industry-scale A/B testing, where the model demonstrated a 1.86% improvement in brand relevance (our primary customer experience metric) while simultaneously achieving a statistically significant revenue uplift of +0.05%
Authors: Yiliang Song, Hongjun An, Jiangong Xiao, Haofei Zhao, Jiawei Shao, Xuelong Li
Abstract: Leaderboard scores on public benchmarks have been steadily rising and converging, with many frontier language models now separated by only marginal differences. However, these scores often fail to match users' day to day experience, because system prompts, output protocols, and interaction modes evolve under routine iteration, and in agentic multi step pipelines small protocol shifts can trigger disproportionate failures, leaving practitioners uncertain about which model to deploy. We propose CreditAudit, a deployment oriented credit audit framework that evaluates models under a family of semantically aligned and non adversarial system prompt templates across multiple benchmarks, reporting mean ability as average performance across scenarios and scenario induced fluctuation sigma as a stability risk signal, and further mapping volatility into interpretable credit grades from AAA to BBB via cross model quantiles with diagnostics that mitigate template difficulty drift. Controlled experiments on GPQA, TruthfulQA, and MMLU Pro show that models with similar mean ability can exhibit substantially different fluctuation, and stability risk can overturn prioritization decisions in agentic or high failure cost regimes. By providing a 2D and grade based language for regime specific selection, CreditAudit supports tiered deployment and more disciplined allocation of testing and monitoring effort, enabling more objective and trustworthy model evaluation for real world use.
Authors: Theresia Veronika Rampisela, Maria Maistro, Tuukka Ruotsalo, Christina Lioma
Abstract: Individual user fairness is commonly understood as treating similar users similarly. In Recommender Systems (RSs), several evaluation measures exist for quantifying individual user fairness. These measures evaluate fairness via either: (i) the disparity in RS effectiveness scores regardless of user similarity, or (ii) the disparity in items recommended to similar users regardless of item relevance. Both disparity in recommendation effectiveness and user similarity are very important in fairness, yet no existing individual user fairness measure simultaneously accounts for both. In brief, current user fairness evaluation measures implement a largely incomplete definition of fairness. To fill this gap, we present Pairwise User unFairness (PUF), a novel evaluation measure of individual user fairness that considers both effectiveness disparity and user similarity. PUF is the only measure that can express this important distinction. We empirically validate that PUF does this consistently across 4 datasets and 7 rankers, and robustly when varying user similarity or effectiveness. In contrast, all other measures are either almost insensitive to effectiveness disparity or completely insensitive to user similarity. We contribute the first RS evaluation measure to reliably capture both user similarity and effectiveness in individual user fairness. Our code: https://github.com/theresiavr/PUF-individual-user-fairness-recsys.
URLs: https://github.com/theresiavr/PUF-individual-user-fairness-recsys.
Authors: Olha Wloch, Liam Hebert, Robin Cohen, Lukasz Golab
Abstract: Online communities have become essential places for socialization and support, yet they also possess toxicity, echo chambers, and misinformation. Detecting this harmful content is difficult because the meaning of an online interaction stems from both what is written (textual content) and where it is posted (social norms). We propose GASTON (Graph-Aware Social Transformer for Online Networks), which learns text and user embeddings that are grounded in their local norms, providing the necessary context for downstream tasks. The heart of our solution is a contrastive initialization strategy that pretrains community embeddings based on user membership patterns, capturing a community's user base before processing any text. This allows GASTON to distinguish between communities (e.g., a support group vs. a hate group) based on who interacts there, even if they share similar vocabulary. Experiments on tasks such as stress detection, toxicity scoring, and norm violation demonstrate that the embeddings produced by GASTON outperform state-of-the-art baselines.
Authors: Kun Wang, Xiao Feng, Mingcheng Qu, Tonghua Su
Abstract: Vision Language Action (VLA) models have recently shown great potential in bridging multimodal perception with robotic control. However, existing methods often rely on direct fine-tuning of pre-trained Vision-Language Models (VLMs), feeding semantic and visual features directly into a policy network without fully addressing the unique semantic alignment challenges in the VLA domain. In this paper, we propose HMVLA, a novel VLA framework that exploits the inherent hierarchical structures in vision and language for comprehensive semantic alignment. Unlike traditional methods that perform alignment in Euclidean space, our HMVLA embeds multimodal features in hyperbolic space, enabling more effective modeling of the hierarchical relationships present in image text data. Furthermore, we introduce a sparsely gated Mixture of Experts (MoE) mechanism tailored for semantic alignment, which enhances multimodal comprehension between images and text while improving efficiency. Extensive experiments demonstrate that HMVLA surpasses baseline methods in both accuracy and generalization. In addition, we validate its robustness by reconstructing datasets to further test cross domain adaptability.
Authors: Runjie Zhou, Youbo Shao, Haoyu Lu, Bowei Xing, Tongtong Bai, Yujie Chen, Jie Zhao, Lin Sui, Haotian Yao, Zijia Zhao, Hao Yang, Haoning Wu, Zaida Zhou, Jinguo Zhu, Zhiqi Huang, Yiping Bao, Yangyang Liu, Y. Charles, Xinyu Zhou
Abstract: We introduce WorldVQA, a benchmark designed to evaluate the atomic visual world knowledge of Multimodal Large Language Models (MLLMs). Unlike current evaluations, which often conflate visual knowledge retrieval with reasoning, WorldVQA decouples these capabilities to strictly measure "what the model memorizes." The benchmark assesses the atomic capability of grounding and naming visual entities across a stratified taxonomy, spanning from common head-class objects to long-tail rarities. We expect WorldVQA to serve as a rigorous test for visual factuality, thereby establishing a standard for assessing the encyclopedic breadth and hallucination rates of current and next-generation frontier models.
Authors: Pengyu Dai, Weihao Xuan, Junjue Wang, Hongruixuan Chen, Jian Song, Yafei Ou, Naoto Yokoya
Abstract: Recent advances have enabled large language model (LLM) agents to solve complex tasks by orchestrating external tools. However, these agents often struggle in specialized, tool-intensive domains that demand long-horizon execution, tight coordination across modalities, and strict adherence to implicit tool constraints. Earth Observation (EO) tasks exemplify this challenge due to the multi-modal and multi-temporal data inputs, as well as the requirements of geo-knowledge constraints (spectrum library, spatial reasoning, etc): many high-level plans can be derailed by subtle execution errors that propagate through a pipeline and invalidate final results. A core difficulty is that existing agents lack a mechanism to learn fine-grained, tool-level expertise from interaction. Without such expertise, they cannot reliably configure tool parameters or recover from mid-execution failures, limiting their effectiveness in complex EO workflows. To address this, we introduce \textbf{GeoEvolver}, a self-evolving multi-agent system~(MAS) that enables LLM agents to acquire EO expertise through structured interaction without any parameter updates. GeoEvolver decomposes each query into independent sub-goals via a retrieval-augmented multi-agent orchestrator, then explores diverse tool-parameter configurations at the sub-goal level. Successful patterns and root-cause attribution from failures are then distilled in an evolving memory bank that provides in-context demonstrations for future queries. Experiments on three tool-integrated EO benchmarks show that GeoEvolver consistently improves end-to-end task success, with an average gain of 12\% across multiple LLM backbones, demonstrating that EO expertise can emerge progressively from efficient, fine-grained interactions with the environment.
Authors: Xinyu Liu, Zixuan Xie, Amir Moeini, Claire Chen, Shuze Daniel Liu, Yu Meng, Aidong Zhang, Shangtong Zhang
Abstract: While the ecosystem of Lean and Mathlib has enjoyed celebrated success in formal mathematical reasoning with the help of large language models (LLMs), the absence of many folklore lemmas in Mathlib remains a persistent barrier that limits Lean's usability as an everyday tool for mathematicians like LaTeX or Maple. To address this, we introduce MathlibLemma, the first LLM-based multi-agent system to automate the discovery and formalization of mathematical folklore lemmas. This framework constitutes our primary contribution, proactively mining the missing connective tissue of mathematics. Its efficacy is demonstrated by the production of a verified library of folklore lemmas, a subset of which has already been formally merged into the latest build of Mathlib, thereby validating the system's real-world utility and alignment with expert standards. Leveraging this pipeline, we further construct the MathlibLemma benchmark, a suite of 4,028 type-checked Lean statements spanning a broad range of mathematical domains. By transforming the role of LLMs from passive consumers to active contributors, this work establishes a constructive methodology for the self-evolution of formal mathematical libraries.
Authors: Shiji Xiao, Yufeng Zhang, Chubo Liu, Yan Ding, Keqin Li, Kenli Li
Abstract: The Kullback-Leibler (KL) divergence is not a proper distance metric and does not satisfy the triangle inequality, posing theoretical challenges in certain practical applications. Existing work has demonstrated that KL divergence between multivariate Gaussian distributions follows a relaxed triangle inequality. Given any three multivariate Gaussian distributions $\mathcal{N}_1, \mathcal{N}_2$, and $\mathcal{N}_3$, if $KL(\mathcal{N}_1, \mathcal{N}_2)\leq \epsilon_1$ and $KL(\mathcal{N}_2, \mathcal{N}_3)\leq \epsilon_2$, then $KL(\mathcal{N}_1, \mathcal{N}_3)< 3\epsilon_1+3\epsilon_2+2\sqrt{\epsilon_1\epsilon_2}+o(\epsilon_1)+o(\epsilon_2)$. However, the supremum of $KL(\mathcal{N}_1, \mathcal{N}_3)$ is still unknown. In this paper, we investigate the relaxed triangle inequality for the KL divergence between multivariate Gaussian distributions and give the supremum of $KL(\mathcal{N}_1, \mathcal{N}_3)$ as well as the conditions when the supremum can be attained. When $\epsilon_1$ and $\epsilon_2$ are small, the supremum is $\epsilon_1+\epsilon_2+\sqrt{\epsilon_1\epsilon_2}+o(\epsilon_1)+o(\epsilon_2)$. Finally, we demonstrate several applications of our results in out-of-distribution detection with flow-based generative models and safe reinforcement learning.
Authors: Chandan Kumar Sah, Xiaoli Lian, Li Zhang, Tony Xu, Syed Shazaib Shah
Abstract: Large language models (LLMs) enable powerful zero-shot recommendations by leveraging broad contextual knowledge, yet predictive uncertainty and embedded biases threaten reliability and fairness. This paper studies how uncertainty and fairness evaluations affect the accuracy, consistency, and trustworthiness of LLM-generated recommendations. We introduce a benchmark of curated metrics and a dataset annotated for eight demographic attributes (31 categorical values) across two domains: movies and music. Through in-depth case studies, we quantify predictive uncertainty (via entropy) and demonstrate that Google DeepMind's Gemini 1.5 Flash exhibits systematic unfairness for certain sensitive attributes; measured similarity-based gaps are SNSR at 0.1363 and SNSV at 0.0507. These disparities persist under prompt perturbations such as typographical errors and multilingual inputs. We further integrate personality-aware fairness into the RecLLM evaluation pipeline to reveal personality-linked bias patterns and expose trade-offs between personalization and group fairness. We propose a novel uncertainty-aware evaluation methodology for RecLLMs, present empirical insights from deep uncertainty case studies, and introduce a personality profile-informed fairness benchmark that advances explainability and equity in LLM recommendations. Together, these contributions establish a foundation for safer, more interpretable RecLLMs and motivate future work on multi-model benchmarks and adaptive calibration for trustworthy deployment.
Authors: Yanki Margalit, Erni Avram, Ran Taig, Oded Margalit, Nurit Cohen-Inger
Abstract: Evaluating large language models typically relies on human-authored benchmarks, reference answers, and human or single-model judgments, approaches that scale poorly, become quickly outdated, and mismatch open-world deployments that depend on web retrieval and synthesis. We introduce PeerRank, a fully autonomous end-to-end evaluation framework in which models generate evaluation tasks, answer them with category-scoped live web grounding, judge peer responses and aggregate dense peer assessments into relative performance estimates, without human supervision or gold references. PeerRank treats evaluation as a multi-agent process where each model participates symmetrically as task designer, respondent, and evaluator, while removing biased judgments. In a large-scale study over 12 commercially available models and 420 autonomously generated questions, PeerRank produces stable, discriminative rankings and reveals measurable identity and presentation biases. Rankings are robust, and mean peer scores agree with Elo. We further validate PeerRank on TruthfulQA and GSM8K, where peer scores correlate with objective accuracy. Together, these results suggest that bias-aware peer evaluation with selective web-grounded answering can scale open-world LLM assessment beyond static and human curated benchmarks.
Authors: Yangfan Deng, Anirudh Nakra, Min Wu
Abstract: 3D content acquisition and creation are expanding rapidly in the new era of machine learning and AI. 3D Gaussian Splatting (3DGS) has become a promising high-fidelity and real-time representation for 3D content. Similar to the initial wave of digital audio-visual content at the turn of the millennium, the demand for intellectual property protection is also increasing, since explicit and editable 3D parameterization makes unauthorized use and dissemination easier. In this position paper, we argue that effective progress in watermarking 3D assets requires articulated security objectives and realistic threat models, incorporating the lessons learned from digital audio-visual asset protection over the past decades. To address this gap in security specification and evaluation, we advocate a scenario-driven formulation, in which adversarial capabilities are formalized through a security model. Based on this formulation, we construct a reference framework that organizes existing methods and clarifies how specific design choices map to corresponding adversarial assumptions. Within this framework, we also examine a legacy spread-spectrum embedding scheme, characterizing its advantages and limitations and highlighting the important trade-offs it entails. Overall, this work aims to foster effective intellectual property protection for 3D assets.
Authors: Weining Fu, Kai Shu, Kui Xu, Qiangfeng Cliff Zhang
Abstract: Cryo-electron microscopy (cryo-EM) has revolutionized structural biology by enabling near-atomic-level visualization of biomolecular assemblies. However, the exponential growth in cryo-EM data throughput and complexity, coupled with diverse downstream analytical tasks, necessitates unified computational frameworks that transcend current task-specific deep learning approaches with limited scalability and generalizability. We present CryoLVM, a foundation model that learns rich structural representations from experimental density maps with resolved structures by leveraging the Joint-Embedding Predictive Architecture (JEPA) integrated with SCUNet-based backbone, which can be rapidly adapted to various downstream tasks. We further introduce a novel histogram-based distribution alignment loss that accelerates convergence and enhances fine-tuning performance. We demonstrate CryoLVM's effectiveness across three critical cryo-EM tasks: density map sharpening, density map super-resolution, and missing wedge restoration. Our method consistently outperforms state-of-the-art baselines across multiple density map quality metrics, confirming its potential as a versatile model for a wide spectrum of cryo-EM applications.
Authors: Rodrigo Tertulino, Ricardo Almeida, Laercio Alencar
Abstract: The digitization of healthcare has generated massive volumes of Electronic Health Records (EHRs), offering unprecedented opportunities for training Artificial Intelligence (AI) models. However, stringent privacy regulations such as GDPR and HIPAA have created data silos that prevent centralized training. Federated Learning (FL) has emerged as a promising solution that enables collaborative model training without sharing raw patient data. Despite its potential, FL remains vulnerable to poisoning and Sybil attacks, in which malicious participants corrupt the global model or infiltrate the network using fake identities. While recent approaches integrate Blockchain technology for auditability, they predominantly rely on probabilistic reputation systems rather than robust cryptographic identity verification. This paper proposes a Trustworthy Blockchain-based Federated Learning (TBFL) framework integrating Self-Sovereign Identity (SSI) standards. By leveraging Decentralized Identifiers (DIDs) and Verifiable Credentials (VCs), our architecture ensures only authenticated healthcare entities contribute to the global model. Through comprehensive evaluation using the MIMIC-IV dataset, we demonstrate that anchoring trust in cryptographic identity verification rather than behavioral patterns significantly mitigates security risks while maintaining clinical utility. Our results show the framework successfully neutralizes 100% of Sybil attacks, achieves robust predictive performance (AUC = 0.954, Recall = 0.890), and introduces negligible computational overhead (<0.12%). The approach provides a secure, scalable, and economically viable ecosystem for inter-institutional health data collaboration, with total operational costs of approximately $18 for 100 training rounds across multiple institutions.
Authors: Tahir Qasim Syed, Behraj Khan
Abstract: Often, constraints arise in deployment settings where even lightweight parameter updates e.g. parameter-efficient fine-tuning could induce model shift or tuning instability. We study test-time adaptation of foundation models for few-shot classification under a completely frozen-model regime, where additionally, no upstream data are accessible. We propose arguably the first training-free inference method that adapts predictions to the new task by performing a change of measure over the latent embedding distribution induced by the encoder. Using task-similarity scores derived from a small labeled support set, exponential tilting reweights latent distributions in a KL-optimal manner without modifying model parameters. Empirically, the method consistently competes with parameter-update-based methods across multiple benchmarks and shot regimes, while operating under strictly and universally stronger constraints. These results demonstrate the viability of inference-level distributional correction for test-time adaptation even with a fully-frozen model pipeline.
Authors: Harry Mayne, Justin Singh Kang, Dewi Gould, Kannan Ramchandran, Adam Mahdi, Noah Y. Siegel
Abstract: LLM self-explanations are often presented as a promising tool for AI oversight, yet their faithfulness to the model's true reasoning process is poorly understood. Existing faithfulness metrics have critical limitations, typically relying on identifying unfaithfulness via adversarial prompting or detecting reasoning errors. These methods overlook the predictive value of explanations. We introduce Normalized Simulatability Gain (NSG), a general and scalable metric based on the idea that a faithful explanation should allow an observer to learn a model's decision-making criteria, and thus better predict its behavior on related inputs. We evaluate 18 frontier proprietary and open-weight models, e.g., Gemini 3, GPT-5.2, and Claude 4.5, on 7,000 counterfactuals from popular datasets covering health, business, and ethics. We find self-explanations substantially improve prediction of model behavior (11-37% NSG). Self-explanations also provide more predictive information than explanations generated by external models, even when those models are stronger. This implies an advantage from self-knowledge that external explanation methods cannot replicate. Our approach also reveals that, across models, 5-15% of self-explanations are egregiously misleading. Despite their imperfections, we show a positive case for self-explanations: they encode information that helps predict model behavior.
Authors: Patrick Cooper, Alireza Nadali, Ashutosh Trivedi, Alvaro Velasquez
Abstract: Large language models (LLMs) are known to exhibit brittle behavior under adversarial prompts and jailbreak attacks, even after extensive alignment and fine-tuning. This fragility reflects a broader challenge of modern neural language models: small, carefully structured perturbations in high-dimensional input spaces can induce large and unpredictable changes in internal semantic representations and output. We investigate monotonicity as an architectural inductive bias for improving the robustness of Transformer-based language models. Monotonicity constrains semantic transformations so that strengthening information, evidence, or constraints cannot lead to regressions in the corresponding internal representations. Such order-preserving behavior has long been exploited in control and safety-critical systems to simplify reasoning and improve robustness, but has traditionally been viewed as incompatible with the expressivity required by neural language models. We show that this trade-off is not inherent. By enforcing monotonicity selectively in the feed-forward sublayers of sequence-to-sequence Transformers -- while leaving attention mechanisms unconstrained -- we obtain monotone language models that preserve the performance of their pretrained counterparts. This architectural separation allows negation, contradiction, and contextual interactions to be introduced explicitly through attention, while ensuring that subsequent semantic refinement is order-preserving. Empirically, monotonicity substantially improves robustness: adversarial attack success rates drop from approximately 69% to 19%, while standard summarization performance degrades only marginally.
Authors: Asmaa Cherkaoui, Ramon Flores, Delaram Kahrobaei, Richard Wilson
Abstract: We propose Eidolon, a practical post-quantum signature scheme based on the NP-complete k-colorability problem. Our construction generalizes the Goldreich-Micali-Wigderson zero-knowledge protocol to arbitrary k >= 3, applies the Fiat-Shamir transform, and uses Merkle-tree commitments to compress signatures from O(tn) to O(t log n). Crucially, we generate hard instances via planted "quiet" colorings that preserve the statistical profile of random graphs. We present the first empirical security analysis of such a scheme against both classical solvers (ILP, DSatur) and a custom graph neural network (GNN) attacker. Experiments show that for n >= 60, neither approach recovers the secret coloring, demonstrating that well-engineered k-coloring instances can resist modern cryptanalysis, including machine learning. This revives combinatorial hardness as a credible foundation for post-quantum signatures.
Authors: Zhen Fang, Miao Yang, Zehang Lin, Zheng Lin, Zihan Fang, Zongyuan Zhang, Tianyang Duan, Dong Huang, Shunzhi Zhu
Abstract: The expanding scale of neural networks poses a major challenge for distributed machine learning, particularly under limited communication resources. While split learning (SL) alleviates client computational burden by distributing model layers between clients and server, it incurs substantial communication overhead from frequent transmission of intermediate activations and gradients. To tackle this issue, we propose NSC-SL, a bandwidth-aware adaptive compression algorithm for communication-efficient SL. NSC-SL first dynamically determines the optimal rank of low-rank approximation based on the singular value distribution for adapting real-time bandwidth constraints. Then, NSC-SL performs error-compensated tensor factorization using alternating orthogonal iteration with residual feedback, effectively minimizing truncation loss. The collaborative mechanisms enable NSC-SL to achieve high compression ratios while preserving semantic-rich information essential for convergence. Extensive experiments demonstrate the superb performance of NSC-SL.
Authors: John Hood, Aaron Schein
Abstract: Despite the ubiquity of multiway data across scientific domains, there are few user-friendly tools that fit tailored nonnegative tensor factorizations. Researchers may use gradient-based automatic differentiation (which often struggles in nonnegative settings), choose between a limited set of methods with mature implementations, or implement their own model from scratch. As an alternative, we introduce NNEinFact, an einsum-based multiplicative update algorithm that fits any nonnegative tensor factorization expressible as a tensor contraction by minimizing one of many user-specified loss functions (including the $(\alpha,\beta)$-divergence). To use NNEinFact, the researcher simply specifies their model with a string. NNEinFact converges to a local minimum of the loss, supports missing data, and fits to tensors with hundreds of millions of entries in seconds. Empirically, NNEinFact fits custom models which outperform standard ones in heldout prediction tasks on real-world tensor data by over $37\%$ and attains less than half the test loss of gradient-based methods while converging up to 90 times faster.
Authors: Pouya Pezeshkpour, Estevam Hruschka
Abstract: Large language models are increasingly deployed as specialized agents that plan, call tools, and take actions over extended horizons. Yet many existing evaluations assume a "clean interface" where dynamics are specified and stable, tools and sensors are reliable, and success is captured by a single explicit objective-often overestimating real-world readiness. In practice, agents face underspecified rules, unreliable signals, shifting environments, and implicit, multi-stakeholder goals. The challenge is therefore not just solving tasks, but adapting while solving: deciding what to trust, what is wanted, when to verify, and when to fall back or escalate. We stress-test deployment-relevant robustness under four operational circumstances: partial observability, dynamic environments, noisy signals, and dynamic agent state. We benchmark agentic LLMs in a grid-based game with a simple goal but long-horizon execution. Episodes violate clean-interface assumptions yet remain solvable, forcing agents to infer rules, pay for information, adapt to environmental and internal shifts, and act cautiously under noise. Across five state-of-the-art LLM agents, we find large gaps between nominal task-solving and deployment-like robustness. Performance generally degrades as grid size and horizon increase, but rankings are unstable: weaker models can beat stronger ones when strategy matches the uncertainty regime. Despite no explicit instruction, agents trade off completion, efficiency, and penalty avoidance, suggesting partial objective inference. Ablations and feature analyses reveal model-specific sensitivities and failure drivers, motivating work on verification, safe action selection, and objective inference under partial observability, noise, and non-stationarity.
Authors: Zihao Jing, Qiuhao Zeng, Ruiyi Fang, Yan Yi Li, Yan Sun, Boyu Wang, Pingzhao Hu
Abstract: Large language models (LLMs) are enabling reasoning over biomolecular structures, yet existing methods remain modality-specific and typically compress structural inputs through sequence-based tokenization or fixed-length query connectors. Such architectures either omit the geometric groundings requisite for mitigating structural hallucinations or impose inflexible modality fusion bottlenecks that concurrently over-compress and suboptimally allocate structural tokens, thereby impeding the realization of generalized all-atom reasoning. We introduce Cuttlefish, a unified all-atom LLM that grounds language reasoning in geometric cues while scaling modality tokens with structural complexity. First, Scaling-Aware Patching leverages an instruction-conditioned gating mechanism to generate variable-size patches over structural graphs, adaptively scaling the query token budget with structural complexity to mitigate fixed-length connector bottlenecks. Second, Geometry Grounding Adapter refines these adaptive tokens via cross-attention to modality embeddings and injects the resulting modality tokens into the LLM, exposing explicit geometric cues to reduce structural hallucination. Experiments across diverse all-atom benchmarks demonstrate that Cuttlefish achieves superior performance in heterogeneous structure-grounded reasoning. Code is available at the project repository.
Authors: Nirab Hossain, Pablo Moriano
Abstract: Modern vehicles rely on electronic control units (ECUs) interconnected through the Controller Area Network (CAN), making in-vehicle communication a critical security concern. Machine learning (ML)-based intrusion detection systems (IDS) are increasingly deployed to protect CAN traffic, yet their robustness against adversarial manipulation remains largely unexplored. We present a systematic adversarial evaluation of CAN IDS using the ROAD dataset, comparing four shallow learning models with a deep neural network-based detector. Using protocol-compliant, payload-level perturbations generated via FGSM, BIM and PGD, we evaluate adversarial effects on both benign and malicious CAN frames. While all models achieve strong baseline performance under benign conditions, adversarial perturbations reveal substantial vulnerabilities. Although shallow and deep models are robust to false-alarm induction, with the deep neural network (DNN) performing best on benign traffic, all architectures suffer significant increases in missed attacks. Notably, under gradient-based attacks, the shallow model extra trees (ET) demonstrates improved robustness to missed-attack induction compared to the other models. Our results demonstrate that adversarial manipulation can simultaneously trigger false alarms and evade detection, underscoring the need for adversarial robustness evaluation in safety-critical automotive IDS.
Authors: Yuzhen Zhao, Jiarong Fan, Yating Liu
Abstract: We study a supervised multiclass classification problem for diffusion processes, where each class is characterized by a distinct drift function and trajectories are observed at discrete times. Extending the one-dimensional multiclass framework of Denis et al. (2024) to multidimensional diffusions, we propose a neural network-based plug-in classifier that estimates the drift functions for each class from independent sample paths and assigns labels based on a Bayes-type decision rule. Under standard regularity assumptions, we establish convergence rates for the excess misclassification risk, explicitly capturing the effects of drift estimation error and time discretization. Numerical experiments demonstrate that the proposed method achieves faster convergence and improved classification performance compared to Denis et al. (2024) in the one-dimensional setting, remains effective in higher dimensions when the underlying drift functions admit a compositional structure, and consistently outperforms direct neural network classifiers trained end-to-end on trajectories without exploiting the diffusion model structure.
Authors: Matteo Bastico, Pierre Onghena, David Ryckelynck, Beatriz Marcotegui, Santiago Velasco-Forero, Laurent Cort\'e, Caroline Robine--Decourcelle, Etienne Decenci\`ere
Abstract: Accurate identification of anatomical landmarks is crucial for various medical applications. Traditional manual landmarking is time-consuming and prone to inter-observer variability, while rule-based methods are often tailored to specific geometries or limited sets of landmarks. In recent years, anatomical surfaces have been effectively represented as point clouds, which are lightweight structures composed of spatial coordinates. Following this strategy and to overcome the limitations of existing landmarking techniques, we propose Landmark Point Transformer (LmPT), a method for automatic anatomical landmark detection on point clouds that can leverage homologous bones from different species for translational research. The LmPT model incorporates a conditioning mechanism that enables adaptability to different input types to conduct cross-species learning. We focus the evaluation of our approach on femoral landmarking using both human and newly annotated dog femurs, demonstrating its generalization and effectiveness across species. The code and dog femur dataset will be publicly available at: https://github.com/Pierreoo/LandmarkPointTransformer.
Authors: Sanjit Dandapanthula, Margaret Johnson, Madeleine Pascolini-Campbell, Glynn Hulley, Mikael Kuusela
Abstract: Accurate and high-resolution estimation of land surface temperature (LST) is crucial in estimating evapotranspiration, a measure of plant water use and a central quantity in agricultural applications. In this work, we develop a novel statistical method for downscaling LST data obtained from NASA's ECOSTRESS mission, using high-resolution data from the Landsat 8 mission as a proxy for modeling agricultural field structure. Using the Landsat data, we identify the boundaries of agricultural fields through edge detection techniques, allowing us to capture the inherent block structure present in the spatial domain. We propose a block-diagonal Gaussian process (BDGP) model that captures the spatial structure of the agricultural fields, leverages independence of LST across fields for computational tractability, and accounts for the change of support present in ECOSTRESS observations. We use the resulting BDGP model to perform Gaussian process regression and obtain high-resolution estimates of LST from ECOSTRESS data, along with uncertainty quantification. Our results demonstrate the practicality of the proposed method in producing reliable high-resolution LST estimates, with potential applications in agriculture, urban planning, and climate studies.
Authors: Philipp J. Schneider, Lanqin Yuan, Marian-Andrei Rizoiu
Abstract: The detection of online influence operations -- coordinated campaigns by malicious actors to spread narratives -- has traditionally depended on content analysis or network features. These approaches are increasingly brittle as generative models produce convincing text, platforms restrict access to behavioral data, and actors migrate to less-regulated spaces. We introduce a platform-agnostic framework that identifies malicious actors from their behavioral policies by modeling user activity as sequential decision processes. We apply this approach to 12,064 Reddit users, including 99 accounts linked to the Russian Internet Research Agency in Reddit's 2017 transparency report, analyzing over 38 million activity steps from 2015-2018. Activity-based representations, which model how users act rather than what they post, consistently outperform content models in detecting malicious accounts. When distinguishing trolls -- users engaged in coordinated manipulation -- from ordinary users, policy-based classifiers achieve a median macro-$F_1$ of 94.9%, compared to 91.2% for text embeddings. Policy features also enable earlier detection from short traces and degrade more gracefully under evasion strategies or data corruption. These findings show that behavioral dynamics encode stable, discriminative signals of manipulation and point to resilient, cross-platform detection strategies in the era of synthetic content and limited data access.
Authors: Saeid Sheikhi
Abstract: We present Chain of Simulation (CoS), a novel dual-mode reasoning framework that dynamically routes problems to specialized reasoning strategies in Large Language Models (LLMs). Unlike existing uniform prompting approaches, CoS employs three distinct reasoning modes: (1) computational flow with self-consistency for mathematical problems, (2) symbolic state tracking with JSON representations for spatial reasoning, and (3) hybrid fact-extraction for multi-hop inference. Through comprehensive evaluation on GSM8K, StrategyQA, and bAbI benchmarks using four state-of-the-art models (Gemma-3 27B, LLaMA-3.1 8B, Mistral 7B, and Qwen-2.5 14B), we demonstrate that CoS achieves 71.5% accuracy on GSM8K (1.0% absolute improvement), 90.0% on StrategyQA (2.5% improvement), and 19.0% on bAbI (65.2% relative improvement) compared to the strongest baselines. The analysis reveals that problem-specific mode selection is crucial, with computational mode achieving 81.2% accuracy when correctly applied to mathematical problems, while misrouting leads to 0% accuracy. We provide detailed algorithms for mode selection, state tracking, and answer extraction, establishing CoS as an effective approach for improving LLM reasoning without additional training. The framework provides superior trade-offs between accuracy and efficiency compared to Self-Consistency, achieving comparable performance at 54% lower computational cost.
Authors: Tiago Leite, Maria Concei\c{c}\~ao, Ant\'onio Grilo
Abstract: The exploration of unknown, Global Navigation Satellite System (GNSS) denied environments by an autonomous communication-aware and collaborative group of Unmanned Aerial Vehicles (UAVs) presents significant challenges in coordination, perception, and decentralized decision-making. This paper implements Multi-Agent Reinforcement Learning (MARL) to address these challenges in a 2D indoor environment, using high-fidelity game-engine simulations (Godot) and continuous action spaces. Policy training aims to achieve emergent collaborative behaviours and decision-making under uncertainty using Network-Distributed Partially Observable Markov Decision Processes (ND-POMDPs). Each UAV is equipped with a Light Detection and Ranging (LiDAR) sensor and can share data (sensor measurements and a local occupancy map) with neighbouring agents. Inter-agent communication constraints include limited range, bandwidth and latency. Extensive ablation studies evaluated MARL training paradigms, reward function, communication system, neural network (NN) architecture, memory mechanisms, and POMDP formulations. This work jointly addresses several key limitations in prior research, namely reliance on discrete actions, single-agent or centralized formulations, assumptions of a priori knowledge and permanent connectivity, inability to handle dynamic obstacles, short planning horizons and architectural complexity in Recurrent NNs/Transformers. Results show that the scalable training paradigm, combined with a simplified architecture, enables rapid autonomous exploration of an indoor area. The implementation of Curriculum-Learning (five increasingly complex levels) also enabled faster, more robust training. This combination of high-fidelity simulation, MARL formulation, and computational efficiency establishes a strong foundation for deploying learned cooperative strategies in physical robotic systems.
Authors: Eric Yang, Jong Ha Lee, Jonathan Amar, Elissa Ye, Yugang Jia
Abstract: Large Language Models (LLMs) trained for average correctness often exhibit mode collapse, producing narrow decision behaviors on tasks where multiple responses may be reasonable. This limitation is particularly problematic in ordinal decision settings such as clinical triage, where standard alignment removes the ability to trade off specificity and sensitivity (the ROC operating point) based on contextual constraints. We propose STEER (Steerable Tuning via Evolutionary Ensemble Refinement), a training-free framework that reintroduces this tunable control. STEER constructs a population of natural-language personas through an offline, constrained quality-diversity search that promotes behavioral coverage while enforcing minimum safety, reasoning, and stability thresholds. At inference time, STEER exposes a single, interpretable control parameter that maps a user-specified risk percentile to a selected persona, yielding a monotonic adjustment of decision conservativeness. On two clinical triage benchmarks, STEER achieves broader behavioral coverage compared to temperature-based sampling and static persona ensembles. Compared to a representative post-training method, STEER maintains substantially higher accuracy on unambiguous urgent cases while providing comparable control over ambiguous decisions. These results demonstrate STEER as a safety-preserving paradigm for risk control, capable of steering behavior without compromising domain competence.
Authors: Jinkun Chen, Fengxiang Cheng, Sijia Han, Vlado Keselj
Abstract: Reasoning failures in large language models (LLMs) are typically measured only at the end of a generation, yet many failures manifest as a process-level breakdown: the model "loses the thread" mid-reasoning. We study whether such breakdowns are detectable from inference-time observables available in standard APIs (token log probabilities), without any training or fine-tuning. We define a simple instability signal that combines consecutive-step distributional shift (JSD) and uncertainty (entropy), summarize each trace by its peak instability strength, and show that this signal reliably predicts failure. Across GSM8K and HotpotQA, instability strength predicts wrong answers with above-chance AUC and yields monotonic bucket-level accuracy decline at scale across model sizes. Crucially, we show that instability is not uniformly harmful: early instability can reflect subsequent stabilization and a correct final answer (\emph{corrective instability}), whereas late instability is more often followed by failure (\emph{destructive instability}), even at comparable peak magnitudes, indicating that recoverability depends not only on how strongly the distribution changes but also on when such changes occur relative to the remaining decoding horizon. The method is model-agnostic, training-free, and reproducible, and is presented as a diagnostic lens rather than a corrective or control mechanism.
Authors: Daivik Patel, Shrenik Patel
Abstract: Accurate decision making in medical imaging requires reasoning over subtle visual differences between confusable conditions, yet most existing approaches rely on nearest neighbor retrieval that returns redundant evidence and reinforces a single hypothesis. We introduce a contrastive, document-aware reference selection framework that constructs compact evidence sets optimized for discrimination rather than similarity by explicitly balancing visual relevance, embedding diversity, and source-level provenance using ROCO embeddings and metadata. While ROCO provides large-scale image-caption pairs, it does not specify how references should be selected for contrastive reasoning, and naive retrieval frequently yields near-duplicate figures from the same document. To address this gap, we release a reproducible reference selection protocol and curated reference bank that enable a systematic study of contrastive retrieval in medical image reasoning. Building on these contrastive evidence sets, we propose Counterfactual-Contrastive Inference, a confidence-aware reasoning framework that performs structured pairwise visual comparisons and aggregates evidence using margin-based decision rules with faithful abstention. On the MediConfusion benchmark, our approach achieves state-of-the-art performance, improving set-level accuracy by nearly 15% relative to prior methods while reducing confusion and improving individual accuracy.
Authors: Kiran Tomlinson, Tobias Schnabel, Adith Swaminathan, Jennifer Neville
Abstract: Inference-time scaling via chain-of-thought (CoT) reasoning is a major driver of state-of-the-art LLM performance, but it comes with substantial latency and compute costs. We address a fundamental theoretical question: how many reasoning tokens are required to solve a problem as input size grows? By extending the bounded attention prefix oracle (BAPO) model--an abstraction of LLMs that quantifies the information flow required to solve a task--we prove lower bounds on the CoT tokens required for three canonical BAPO-hard tasks: binary majority, triplet matching, and graph reachability. We show that each requires $\Omega(n)$ reasoning tokens when the input size is $n$. We complement these results with matching or near-matching upper bounds via explicit constructions. Finally, our experiments with frontier reasoning models show approximately linear reasoning token scaling on these tasks and failures when constrained to smaller reasoning budgets, consistent with our theoretical lower bounds. Together, our results identify fundamental bottlenecks in inference-time compute through CoT and offer a principled tool for analyzing optimal reasoning length.
Authors: Jagan Mohan Reddy Dwarampudi, Joshua Wong, Hien Van Nguyen, Tania Banerjee
Abstract: We introduce Multi-scale Adaptive Recurrent Biomedical Linear-time Encoder (MARBLE), the first \textit{purely Mamba-based} multi-state multiple instance learning (MIL) framework for whole-slide image (WSI) analysis. MARBLE processes multiple magnification levels in parallel and integrates coarse-to-fine reasoning within a linear-time state-space model, efficiently capturing cross-scale dependencies with minimal parameter overhead. WSI analysis remains challenging due to gigapixel resolutions and hierarchical magnifications, while existing MIL methods typically operate at a single scale and transformer-based approaches suffer from quadratic attention costs. By coupling parallel multi-scale processing with linear-time sequence modeling, MARBLE provides a scalable and modular alternative to attention-based architectures. Experiments on five public datasets show improvements of up to \textbf{6.9\%} in AUC, \textbf{20.3\%} in accuracy, and \textbf{2.3\%} in C-index, establishing MARBLE as an efficient and generalizable framework for multi-scale WSI analysis.
Authors: Jiachen Jiang, Tianyu Ding, Zhihui Zhu
Abstract: LLM-driven evolutionary systems have shown promise for automated science discovery, yet existing approaches such as AlphaEvolve rely on full-code histories that are context-inefficient and potentially provide weak evolutionary guidance. In this work, we first formalize the evolutionary agents as a general Expectation-Maximization framework, where the language model samples candidate programs (E-step) and the system updates the control context based on evaluation feedback (M-step). Under this view, constructing context via full-code snapshots constitutes a suboptimal M-step, as redundant implement details dilutes core algorithmic ideas, making it difficult to provide clear inspirations for evolution. To address this, we propose DeltaEvolve, a momentum-driven evolutionary framework that replaces full-code history with structured semantic delta capturing how and why modifications between successive nodes affect performance. As programs are often decomposable, semantic delta usually contains many effective components which are transferable and more informative to drive improvement. By organizing semantic delta through multi-level database and progressive disclosure mechanism, input tokens are further reduced. Empirical evaluations on tasks across diverse scientific domains show that our framework can discover better solution with less token consumption over full-code-based evolutionary agents.
Authors: Yidong Ouyang, Panwen Hu, Zhengyan Wan, Zhe Wang, Liyan Xie, Dmitriy Bespalov, Ying Nian Wu, Guang Cheng, Hongyuan Zha, Qiang Sun
Abstract: Masked diffusion models have emerged as a powerful framework for text and multimodal generation. However, their sampling procedure updates multiple tokens simultaneously and treats generated tokens as immutable, which may lead to error accumulation when early mistakes cannot be revised. In this work, we revisit existing self-correction methods and identify limitations stemming from additional training requirements or reliance on misaligned likelihood estimates. We propose a training-free self-correction framework that exploits the inductive biases of pre-trained masked diffusion models. Without modifying model parameters or introducing auxiliary evaluators, our method significantly improves generation quality on text-to-image generation and multimodal understanding tasks with reduced sampling steps. Moreover, the proposed framework generalizes across different masked diffusion architectures, highlighting its robustness and practical applicability. Code can be found in https://github.com/huge123/FreeCorrection.
Authors: Kevin McCoy, Zachary Wooten, Katarzyna Tomczak, Christine B. Peterson
Abstract: Clustered data, which arise when observations are nested within groups, are incredibly common in clinical, education, and social science research. Traditionally, a linear mixed model, which includes random effects to account for within-group correlation, would be used to model the observed data and make new predictions on unseen data. Some work has been done to extend the mixed model approach beyond linear regression into more complex and non-parametric models, such as decision trees and random forests. However, existing methods are limited to using the global fixed effects for prediction on data from out-of-sample groups, effectively assuming that all clusters share a common outcome model. We propose a lightweight sum-of-trees model in which we learn a decision tree for each sample group. We combine the predictions from these trees using weights so that out-of-sample group predictions are more closely aligned with the most similar groups in the training data. This strategy also allows for inference on the similarity across groups in the outcome prediction model, as the unique tree structures and variable importances for each group can be directly compared. We show our model outperforms traditional decision trees and random forests in a variety of simulation settings. Finally, we showcase our method on real-world data from the sarcoma cohort of The Cancer Genome Atlas, where patient samples are grouped by sarcoma subtype.
Authors: David McShannon, Anthony Mella, Nicholas Dietrich
Abstract: Medical audio classification remains challenging due to low signal-to-noise ratios, subtle discriminative features, and substantial intra-class variability, often compounded by class imbalance and limited training data. Synthetic data augmentation has been proposed as a potential strategy to mitigate these constraints; however, prior studies report inconsistent methodological approaches and mixed empirical results. In this preliminary study, we explore the impact of synthetic augmentation on respiratory sound classification using a baseline deep convolutional neural network trained on a moderately imbalanced dataset (73%:27%). Three generative augmentation strategies (variational autoencoders, generative adversarial networks, and diffusion models) were assessed under controlled experimental conditions. The baseline model without augmentation achieved an F1-score of 0.645. Across individual augmentation strategies, performance gains were not observed, with several configurations demonstrating neutral or degraded classification performance. Only an ensemble of augmented models yielded a modest improvement in F1-score (0.664). These findings suggest that, for medical audio classification, synthetic augmentation may not consistently enhance performance when applied to a standard CNN classifier. Future work should focus on delineating task-specific data characteristics, model-augmentation compatibility, and evaluation frameworks necessary for synthetic augmentation to be effective in medical audio applications.
Authors: Quanquan Peng, Yunfeng Lin, Yufei Xue, Jiangmiao Pang, Weinan Zhang
Abstract: Humanoid Whole-Body Controllers trained with reinforcement learning (RL) have recently achieved remarkable performance, yet many target a single robot embodiment. Variations in dynamics, degrees of freedom (DoFs), and kinematic topology still hinder a single policy from commanding diverse humanoids. Moreover, obtaining a generalist policy that not only transfers across embodiments but also supports richer behaviors-beyond simple walking to squatting, leaning-remains especially challenging. In this work, we tackle these obstacles by introducing EAGLE, an iterative generalist-specialist distillation framework that produces a single unified policy that controls multiple heterogeneous humanoids without per-robot reward tuning. During each cycle, embodiment-specific specialists are forked from the current generalist, refined on their respective robots, and new skills are distilled back into the generalist by training on the pooled embodiment set. Repeating this loop until performance convergence produces a robust Whole-Body Controller validated on robots such as Unitree H1, G1, and Fourier N1. We conducted experiments on five different robots in simulation and four in real-world settings. Through quantitative evaluations, EAGLE achieves high tracking accuracy and robustness compared to other methods, marking a step toward scalable, fleet-level humanoid control. See more details at https://eagle-wbc.github.io/
Authors: R. Caleb Bunch, Alperen A. Erg\"ur, Melika Golestani, Jessie Tong, Malia Walewski, Yunus E. Zeytuncu
Abstract: The efficiency of Gr\"obner basis computation, the standard engine for solving systems of polynomial equations, depends on the choice of monomial ordering. Despite a near-continuum of possible monomial orders, most implementations rely on static heuristics such as GrevLex, guided primarily by expert intuition. We address this gap by casting the selection of monomial orderings as a reinforcement learning problem over the space of admissible orderings. Our approach leverages domain-informed reward signals that accurately reflect the computational cost of Gr\"obner basis computations and admits efficient Monte Carlo estimation. Experiments on benchmark problems from systems biology and computer vision show that the resulting learned policies consistently outperform standard heuristics, yielding substantial reductions in computational cost. Moreover, we find that these policies resist distillation into simple interpretable models, providing empirical evidence that deep reinforcement learning allows the agents to exploit non-linear geometric structure beyond the scope of traditional heuristics.
Authors: Mitchell Abrams, Kaveh Eskandari Miandoab, Felix Gervits, Vasanth Sarathy, Matthias Scheutz
Abstract: Embodied agents, such as robots, will need to interact in situated environments where successful communication often depends on reasoning over social norms: shared expectations that constrain what actions are appropriate in context. A key capability in such settings is norm-based reference resolution (NBRR), where interpreting referential expressions requires inferring implicit normative expectations grounded in physical and social context. Yet it remains unclear whether Large Language Models (LLMs) can support this kind of reasoning. In this work, we introduce SNIC (Situated Norms in Context), a human-validated diagnostic testbed designed to probe how well state-of-the-art LLMs can extract and utilize normative principles relevant to NBRR. SNIC emphasizes physically grounded norms that arise in everyday tasks such as cleaning, tidying, and serving. Across a range of controlled evaluations, we find that even the strongest LLMs struggle to consistently identify and apply social norms, particularly when norms are implicit, underspecified, or in conflict. These findings reveal a blind spot in current LLMs and highlight a key challenge for deploying language-based systems in socially situated, embodied settings.
Authors: Byeongju Woo, Zilin Wang, Byeonghyun Pak, Sangwoo Mo, Stella X. Yu
Abstract: Large vision-language models such as CLIP struggle with long captions because they align images and texts as undifferentiated wholes. Fine-grained vision-language understanding requires hierarchical semantics capturing both global context and localized details across visual and textual domains. Yet linguistic hierarchies from syntax or semantics rarely match visual organization, and purely visual hierarchies tend to fragment scenes into appearance-driven parts without semantic focus. We propose CAFT (Cross-domain Alignment of Forests and Trees), a hierarchical image-text representation learning framework that aligns global and local semantics across images and long captions without pixel-level supervision. Coupling a fine-to-coarse visual encoder with a hierarchical text transformer, it uses a hierarchical alignment loss that matches whole images with whole captions while biasing region-sentence correspondences, so that coarse semantics are built from fine-grained evidence rather than from aggregation untethered to part-level grounding. Trained on 30M image-text pairs, CAFT achieves state-of-the-art performance on six long-text retrieval benchmarks and exhibits strong scaling behavior. Experiments show that hierarchical cross-domain alignment enables fine-grained, visually grounded image-text representations to emerge without explicit region-level supervision.
Authors: Zhiyu An, Wan Du
Abstract: Social choice is no longer a peripheral concern of political theory or economics-it has become a foundational component of modern machine learning systems. From auctions and resource allocation to federated learning, participatory governance, and the alignment of large language models, machine learning pipelines increasingly aggregate heterogeneous preferences, incentives, and judgments into collective decisions. In effect, many contemporary machine learning systems already implement social choice mechanisms, often implicitly and without explicit normative scrutiny. This Review surveys differentiable social choice: an emerging paradigm that formulates voting rules, mechanisms, and aggregation procedures as learnable, differentiable models optimized from data. We synthesize work across auctions, voting, budgeting, liquid democracy, decentralized aggregation, and inverse mechanism learning, showing how classical axioms and impossibility results reappear as objectives, constraints, and optimization trade-offs. We conclude by identifying 36 open problems defining a new research agenda at the intersection of machine learning, economics, and democratic theory.
Authors: Rahul Atul Bhope, K. R. Jayaram, Vinod Muthusamy, Ritesh Kumar, Vatche Isahagian, Nalini Venkatasubramanian
Abstract: Despite significant costs from retrieving and processing high-fidelity visual inputs, most multimodal vision-language systems operate at fixed fidelity levels. We introduce VOILA, a framework for Value-Of-Information-driven adaptive fidelity selection in Visual Question Answering (VQA) that optimizes what information to retrieve before model execution. Given a query, VOILA uses a two-stage pipeline: a gradient-boosted regressor estimates correctness likelihood at each fidelity from question features alone, then an isotonic calibrator refines these probabilities for reliable decision-making. The system selects the minimum-cost fidelity maximizing expected utility given predicted accuracy and retrieval costs. We evaluate VOILA across three deployment scenarios using five datasets (VQA-v2, GQA, TextVQA, LoCoMo, FloodNet) and six Vision-Language Models (VLMs) with 7B-235B parameters. VOILA consistently achieves 50-60% cost reductions while retaining 90-95% of full-resolution accuracy across diverse query types and model architectures, demonstrating that pre-retrieval fidelity selection is vital to optimize multimodal inference under resource constraints.
Authors: Irmak Bukey, Zhepei Wang, Chris Donahue, Nicholas J. Bryan
Abstract: Music captioning, or the task of generating a natural language description of music, is useful for both music understanding and controllable music generation. Training captioning models, however, typically requires high-quality music caption data which is scarce compared to metadata (e.g., genre, mood, etc.). As a result, it is common to use large language models (LLMs) to synthesize captions from metadata to generate training data for captioning models, though this process imposes a fixed stylization and entangles factual information with natural language style. As a more direct approach, we propose metadata-based captioning. We train a metadata prediction model to infer detailed music metadata from audio and then convert it into expressive captions via pre-trained LLMs at inference time. Compared to a strong end-to-end baseline trained on LLM-generated captions derived from metadata, our method: (1) achieves comparable performance in less training time over end-to-end captioners, (2) offers flexibility to easily change stylization post-training, enabling output captions to be tailored to specific stylistic and quality requirements, and (3) can be prompted with audio and partial metadata to enable powerful metadata imputation or in-filling--a common task for organizing music data.
Authors: Kimihiro Yamazaki, Itsushi Sakata, Takuya Konishi, Yoshinobu Kawahara
Abstract: Neural quantum states (NQS) are powerful ans\"atze in the variational Monte Carlo framework, yet their architectures are often treated as black boxes. We propose a physically transparent framework in which NQS are treated as neural approximations to latent imaginary-time evolution. This viewpoint suggests that standard Transformer-based NQS (TQS) architectures correspond to physically unmotivated effective Hamiltonians dependent on imaginary time in a latent space. Building on this interpretation, we introduce physics-inspired transformer quantum states (PITQS), which enforce a static effective Hamiltonian by sharing weights across layers and improve propagation accuracy via Trotter-Suzuki decompositions without increasing the number of variational parameters. For the frustrated $J_1$-$J_2$ Heisenberg model, our ans\"atze achieve accuracies comparable to or exceeding state-of-the-art TQS while using substantially fewer variational parameters. This study demonstrates that reinterpreting the deep network structure as a latent cooling process enables a more physically grounded, systematic, and compact design, thereby bridging the gap between black-box expressivity and physically transparent construction.
Authors: Tianya Zhao, Junqing Zhang, Haowen Xu, Xiaoyan Sun, Jun Dai, Xuyu Wang
Abstract: Deep neural networks (DNNs) have achieved remarkable success in radio frequency (RF) fingerprinting for wireless device authentication. However, their practical deployment faces two major limitations: domain shift, where models trained in one environment struggle to generalize to others, and the black-box nature of DNNs, which limits interpretability. To address these issues, we propose a novel framework that integrates a group of variable-length two-dimensional (2D) shapelets with a pre-trained large language model (LLM) to achieve efficient, interpretable, and generalizable RF fingerprinting. The 2D shapelets explicitly capture diverse local temporal patterns across the in-phase and quadrature (I/Q) components, providing compact and interpretable representations. Complementarily, the pre-trained LLM captures more long-range dependencies and global contextual information, enabling strong generalization with minimal training overhead. Moreover, our framework also supports prototype generation for few-shot inference, enhancing cross-domain performance without additional retraining. To evaluate the effectiveness of our proposed method, we conduct extensive experiments on six datasets across various protocols and domains. The results show that our method achieves superior standard and few-shot performance across both source and unseen domains.
Authors: Muxin Fu, Guibin Zhang, Xiangyuan Xue, Yafu Li, Zefeng He, Siyuan Huang, Xiaoye Qu, Yu Cheng, Yang Yang
Abstract: Large language model (LLM)-powered multi-agent systems (MAS) demonstrate remarkable collective intelligence, wherein multi-agent memory serves as a pivotal mechanism for continual adaptation. However, existing multi-agent memory designs remain constrained by two fundamental bottlenecks: (i) memory homogenization arising from the absence of role-aware customization, and (ii) information overload induced by excessively fine-grained memory entries. To address these limitations, we propose LatentMem, a learnable multi-agent memory framework designed to customize agent-specific memories in a token-efficient manner. Specifically, LatentMem comprises an experience bank that stores raw interaction trajectories in a lightweight form, and a memory composer that synthesizes compact latent memories conditioned on retrieved experience and agent-specific contexts. Further, we introduce Latent Memory Policy Optimization (LMPO), which propagates task-level optimization signals through latent memories to the composer, encouraging it to produce compact and high-utility representations. Extensive experiments across diverse benchmarks and mainstream MAS frameworks show that LatentMem achieves a performance gain of up to $19.36$% over vanilla settings and consistently outperforms existing memory architectures, without requiring any modifications to the underlying frameworks.
Authors: Zhixian Zhang, Xiaotian Hou, Linjun Zhang
Abstract: Performative prediction characterizes environments where predictive models alter the very data distributions they aim to forecast, triggering complex feedback loops. While prior research treats single-agent and multi-agent performativity as distinct phenomena, this paper introduces a unified statistical inference framework that bridges these contexts, treating the former as a special case of the latter. Our contribution is two-fold. First, we put forward the Repeated Risk Minimization (RRM) procedure for estimating the performative stability, and establish a rigorous inferential theory for admitting its asymptotic normality and confirming its asymptotic efficiency. Second, for the performative optimality, we introduce a novel two-step plug-in estimator that integrates the idea of Recalibrated Prediction Powered Inference (RePPI) with Importance Sampling, and further provide formal derivations for the Central Limit Theorems of both the underlying distributional parameters and the plug-in results. The theoretical analysis demonstrates that our estimator achieves the semiparametric efficiency bound and maintains robustness under mild distributional misspecification. This work provides a principled toolkit for reliable estimation and decision-making in dynamic, performative environments.
Authors: Baixiao Huang, Baiyu Huang, Yu Hou
Abstract: Quadruped robots are used for primary searches during the early stages of indoor fires. A typical primary search involves quickly and thoroughly looking for victims under hazardous conditions and monitoring flammable materials. However, situational awareness in complex indoor environments and rapid stair climbing across different staircases remain the main challenges for robot-assisted primary searches. In this project, we designed a two-stage end-to-end deep reinforcement learning (RL) approach to optimize both navigation and locomotion. In the first stage, the quadrupeds, Unitree Go2, were trained to climb stairs in Isaac Lab's pyramid-stair terrain. In the second stage, the quadrupeds were trained to climb various realistic indoor staircases in the Isaac Lab engine, with the learned policy transferred from the previous stage. These indoor staircases are straight, L-shaped, and spiral, to support climbing tasks in complex environments. This project explores how to balance navigation and locomotion and how end-to-end RL methods can enable quadrupeds to adapt to different stair shapes. Our main contributions are: (1) A two-stage end-to-end RL framework that transfers stair-climbing skills from abstract pyramid terrain to realistic indoor stair topologies. (2) A centerline-based navigation formulation that enables unified learning of navigation and locomotion without hierarchical planning. (3) Demonstration of policy generalization across diverse staircases using only local height-map perception. (4) An empirical analysis of success, efficiency, and failure modes under increasing stair difficulty.
Authors: Fanxiao Wani Qiu, Oscar Leong
Abstract: Understanding how humans and machines learn from sparse data is central to cognitive science and machine learning. Using a species-fair design, we compare children and convolutional neural networks (CNNs) in a few-shot semi-supervised category learning task. Both learners are exposed to novel object categories under identical conditions. Learners receive mixtures of labeled and unlabeled exemplars while we vary supervision (1/3/6 labels), target feature (size, shape, pattern), and perceptual alignment (high/low). We find that children generalize rapidly from minimal labels but show strong feature-specific biases and sensitivity to alignment. CNNs show a different interaction profile: added supervision improves performance, but both alignment and feature structure moderate the impact additional supervision has on learning. These results show that human-model comparisons must be drawn under the right conditions, emphasizing interactions among supervision, feature structure, and alignment rather than overall accuracy.
Authors: Xingyu Qiu, Xinghua Ma, Dong Liang, Gongning Luo, Wei Wang, Kuanquan Wang, Shuo Li
Abstract: Deeply stacked KANs are practically impossible due to high training difficulties and substantial memory requirements. Consequently, existing studies can only incorporate few KAN layers, hindering the comprehensive exploration of KANs. This study overcomes these limitations and introduces the first fully KA-based deep model, demonstrating that KA-based layers can entirely replace traditional architectures in deep learning and achieve superior learning capacity. Specifically, (1) the proposed Share-activation KAN (SaKAN) reformulates Sprecher's variant of Kolmogorov-Arnold representation theorem, which achieves better optimization due to its simplified parameterization and denser training samples, to ease training difficulty, (2) this paper indicates that spline gradients contribute negligibly to training while consuming huge GPU memory, thus proposes the Grad-Free Spline to significantly reduce memory usage and computational overhead. (3) Building on these two innovations, our ALL U-KAN is the first representative implementation of fully KA-based deep model, where the proposed KA and KAonv layers completely replace FC and Conv layers. Extensive evaluations on three medical image segmentation tasks confirm the superiority of the full KA-based architecture compared to partial KA-based and traditional architectures, achieving all higher segmentation accuracy. Compared to directly deeply stacked KAN, ALL U-KAN achieves 10 times reduction in parameter count and reduces memory consumption by more than 20 times, unlocking the new explorations into deep KAN architectures.
Authors: Tuo Liu, Edgar Dobriban, Francesco Orabona
Abstract: Online conformal prediction (OCP) seeks prediction intervals that achieve long-run $1-\alpha$ coverage for arbitrary (possibly adversarial) data streams, while remaining as informative as possible. Existing OCP methods often require manual learning-rate tuning to work well, and may also require algorithm-specific analyses. Here, we develop a general regret-to-coverage theory for interval-valued OCP based on the $(1-\alpha)$-pinball loss. Our first contribution is to identify \emph{linearized regret} as a key notion, showing that controlling it implies coverage bounds for any online algorithm. This relies on a black-box reduction that depends only on the Fenchel conjugate of an upper bound on the linearized regret. Building on this theory, we propose UP-OCP, a parameter-free method for OCP, via a reduction to a two-asset portfolio selection problem, leveraging universal portfolio algorithms. We show strong finite-time bounds on the miscoverage of UP-OCP, even for polynomially growing predictions. Extensive experiments support that UP-OCP delivers consistently better size/coverage trade-offs than prior online conformal baselines.
Authors: Xinyang Xiong, Siyuan jiang, Pengcheng Zeng
Abstract: Clustering functional data in the presence of phase variation is challenging, as temporal misalignment can obscure intrinsic shape differences and degrade clustering performance. Most existing approaches treat registration and clustering as separate tasks or rely on restrictive parametric assumptions. We present \textbf{NeuralFLoC}, a fully unsupervised, end-to-end deep learning framework for joint functional registration and clustering based on Neural ODE-driven diffeomorphic flows and spectral clustering. The proposed model learns smooth, invertible warping functions and cluster-specific templates simultaneously, effectively disentangling phase and amplitude variation. We establish universal approximation guarantees and asymptotic consistency for the proposed framework. Experiments on functional benchmarks show state-of-the-art performance in both registration and clustering, with robustness to missing data, irregular sampling, and noise, while maintaining scalability. Code is available at https://anonymous.4open.science/r/NeuralFLoC-FEC8.
Authors: Zican Dong, Peiyu Liu, Junyi Li, Zhipeng Chen, Han Peng, Shuo Wang, Wayne Xin Zhao
Abstract: Recently, large language models (LLMs) have shown remarkable reasoning abilities by producing long reasoning traces. However, as the sequence length grows, the key-value (KV) cache expands linearly, incurring significant memory and computation costs. Existing KV cache eviction methods mitigate this issue by discarding less important KV pairs, but often fail to capture complex KV dependencies, resulting in performance degradation. To better balance efficiency and performance, we introduce ForesightKV, a training-based KV cache eviction framework that learns to predict which KV pairs to evict during long-text generations. We first design the Golden Eviction algorithm, which identifies the optimal eviction KV pairs at each step using future attention scores. These traces and the scores at each step are then distilled via supervised training with a Pairwise Ranking Loss. Furthermore, we formulate cache eviction as a Markov Decision Process and apply the GRPO algorithm to mitigate the significant language modeling loss increase on low-entropy tokens. Experiments on AIME2024 and AIME2025 benchmarks of three reasoning models demonstrate that ForesightKV consistently outperforms prior methods under only half the cache budget, while benefiting synergistically from both supervised and reinforcement learning approaches.
Authors: Benjamin Maurel, Agathe Guilloux, Sarah Zohar, Moreno Ursino, Jean-Baptiste Woillard
Abstract: Accurate estimation of tacrolimus exposure, quantified by the area under the concentration-time curve (AUC), is essential for precision dosing after renal transplantation. Current practice relies on population pharmacokinetic (PopPK) models based on nonlinear mixed-effects (NLME) methods. However, these models depend on rigid, pre-specified assumptions and may struggle to capture complex, patient-specific dynamics, leading to model misspecification. In this study, we introduce a novel data-driven alternative based on Latent Ordinary Differential Equations (Latent ODEs) for tacrolimus AUC prediction. This deep learning approach learns individualized pharmacokinetic dynamics directly from sparse clinical data, enabling greater flexibility in modeling complex biological behavior. The model was evaluated through extensive simulations across multiple scenarios and benchmarked against two standard approaches: NLME-based estimation and the iterative two-stage Bayesian (it2B) method. We further performed a rigorous clinical validation using a development dataset (n = 178) and a completely independent external dataset (n = 75). In simulation, the Latent ODE model demonstrated superior robustness, maintaining high accuracy even when underlying biological mechanisms deviated from standard assumptions. Regarding experiments on clinical datasets, in internal validation, it achieved significantly higher precision with a mean RMSPE of 7.99% compared with 9.24% for it2B (p < 0.001). On the external cohort, it achieved an RMSPE of 10.82%, comparable to the two standard estimators (11.48% and 11.54%). These results establish the Latent ODE as a powerful and reliable tool for AUC prediction. Its flexible architecture provides a promising foundation for next-generation, multi-modal models in personalized medicine.
Authors: Dongwon Jo, Beomseok Kang, Jiwon Song, Jae-Joon Kim
Abstract: The quadratic complexity of attention remains the central bottleneck in long-context inference for large language models. Prior acceleration methods either sparsify the attention map with structured patterns or permanently evict tokens at specific layers, which can retain irrelevant tokens or rely on irreversible early decisions despite the layer-/head-wise dynamics of token importance. In this paper, we propose Token Sparse Attention, a lightweight and dynamic token-level sparsification mechanism that compresses per-head $Q$, $K$, $V$ to a reduced token set during attention and then decompresses the output back to the original sequence, enabling token information to be reconsidered in subsequent layers. Furthermore, Token Sparse Attention exposes a new design point at the intersection of token selection and sparse attention. Our approach is fully compatible with dense attention implementations, including Flash Attention, and can be seamlessly composed with existing sparse attention kernels. Experimental results show that Token Sparse Attention consistently improves accuracy-latency trade-off, achieving up to $\times$3.23 attention speedup at 128K context with less than 1% accuracy degradation. These results demonstrate that dynamic and interleaved token-level sparsification is a complementary and effective strategy for scalable long-context inference.
Authors: Yu Cheng, Jiuan Zhou, Yongkang Hu, Yihang Chen, Huichi Zhou, Mingang Chen, Zhizhong Zhang, Kun Shao, Yuan Xie, Zhaoxia Yin
Abstract: Test-time evolution of agent memory serves as a pivotal paradigm for achieving AGI by bolstering complex reasoning through experience accumulation. However, even during benign task evolution, agent safety alignment remains vulnerable-a phenomenon known as Agent Memory Misevolution. To evaluate this phenomenon, we construct the Trust-Memevo benchmark to assess multi-dimensional trustworthiness during benign task evolution, revealing an overall decline in trustworthiness across various task domains and evaluation settings. To address this issue, we propose TAME, a dual-memory evolutionary framework that separately evolves executor memory to improve task performance by distilling generalizable methodologies, and evaluator memory to refine assessments of both safety and task utility based on historical feedback. Through a closed loop of memory filtering, draft generation, trustworthy refinement, execution, and dual-track memory updating, TAME preserves trustworthiness without sacrificing utility. Experiments demonstrate that TAME mitigates misevolution, achieving a joint improvement in both trustworthiness and task performance.
Authors: Zhicheng Yang, Zhijiang Guo, Yinya Huang, Yongxin Wang, Wenlei Shi, Yiwei Wang, Xiaodan Liang, Jing Tang
Abstract: Scaling test-time compute via long Chain-ofThought unlocks remarkable gains in reasoning capabilities, yet it faces practical limits due to the linear growth of KV cache and quadratic attention complexity. In this paper, we introduce Accordion-Thinking, an end-to-end framework where LLMs learn to self-regulate the granularity of the reasoning steps through dynamic summarization. This mechanism enables a Fold inference mode, where the model periodically summarizes its thought process and discards former thoughts to reduce dependency on historical tokens. We apply reinforcement learning to incentivize this capability further, uncovering a critical insight: the accuracy gap between the highly efficient Fold mode and the exhaustive Unfold mode progressively narrows and eventually vanishes over the course of training. This phenomenon demonstrates that the model learns to encode essential reasoning information into compact summaries, achieving effective compression of the reasoning context. Our Accordion-Thinker demonstrates that with learned self-compression, LLMs can tackle complex reasoning tasks with minimal dependency token overhead without compromising solution quality, and it achieves a 3x throughput while maintaining accuracy on a 48GB GPU memory configuration, while the structured step summaries provide a human-readable account of the reasoning process.
Authors: R\'emi Khellaf, Erwan Scornet, Aur\'elien Bellet, Julie Josse
Abstract: Random Forests (RF) are among the most powerful and widely used predictive models for centralized tabular data, yet few methods exist to adapt them to the federated learning setting. Unlike most federated learning approaches, the piecewise-constant nature of RF prevents exact gradient-based optimization. As a result, existing federated RF implementations rely on unprincipled heuristics: for instance, aggregating decision trees trained independently on clients fails to optimize the global impurity criterion, even under simple distribution shifts. We propose FedForest, a new federated RF algorithm for horizontally partitioned data that naturally accommodates diverse forms of client data heterogeneity, from covariate shift to more complex outcome shift mechanisms. We prove that our splitting procedure, based on aggregating carefully chosen client statistics, closely approximates the split selected by a centralized algorithm. Moreover, FedForest allows splits on client indicators, enabling a non-parametric form of personalization that is absent from prior federated random forest methods. Empirically, we demonstrate that the resulting federated forests closely match centralized performance across heterogeneous benchmarks while remaining communication-efficient.
Authors: Francesco Di Salvo, Sebastian Doerrich, Jonas Alle, Christian Ledig
Abstract: Robust generalization beyond training distributions remains a critical challenge for deep neural networks. This is especially pronounced in medical image analysis, where data is often scarce and covariate shifts arise from different hardware devices, imaging protocols, and heterogeneous patient populations. These factors collectively hinder reliable performance and slow down clinical adoption. Despite recent progress, existing learning paradigms primarily rely on the Euclidean manifold, whose flat geometry fails to capture the complex, hierarchical structures present in clinical data. In this work, we exploit the advantages of hyperbolic manifolds to model complex data characteristics. We present the first comprehensive validation of hyperbolic representation learning for medical image analysis and demonstrate statistically significant gains across eleven in-distribution datasets and three ViT models. We further propose an unsupervised, domain-invariant hyperbolic cross-branch consistency constraint. Extensive experiments confirm that our proposed method promotes domain-invariant features and outperforms state-of-the-art Euclidean methods by an average of $+2.1\%$ AUC on three domain generalization benchmarks: Fitzpatrick17k, Camelyon17-WILDS, and a cross-dataset setup for retinal imaging. These datasets span different imaging modalities, data sizes, and label granularities, confirming generalization capabilities across substantially different conditions. The code is available at https://github.com/francescodisalvo05/hyperbolic-cross-branch-consistency .
URLs: https://github.com/francescodisalvo05/hyperbolic-cross-branch-consistency
Authors: Zhengbo Jiao, Shaobo Wang, Zifan Zhang, Xuan Ren, Wei Wang, Bing Zhao, Hu Wei, Linfeng Zhang
Abstract: Advancing complex reasoning in large language models relies on high-quality, verifiable datasets, yet human annotation remains cost-prohibitive and difficult to scale. Current synthesis paradigms often face a recurring trade-off: maintaining structural validity typically restricts problem complexity, while relaxing constraints to increase difficulty frequently leads to inconsistent or unsolvable instances. To address this, we propose Agentic Proposing, a framework that models problem synthesis as a goal-driven sequential decision process where a specialized agent dynamically selects and composes modular reasoning skills. Through an iterative workflow of internal reflection and tool-use, we develop the Agentic-Proposer-4B using Multi-Granularity Policy Optimization (MGPO) to generate high-precision, verifiable training trajectories across mathematics, coding, and science. Empirical results demonstrate that downstream solvers trained on agent-synthesized data significantly outperform leading baselines and exhibit robust cross-domain generalization. Notably, a 30B solver trained on only 11,000 synthesized trajectories achieves a state-of-the-art 91.6% accuracy on AIME25, rivaling frontier-scale proprietary models such as GPT-5 and proving that a small volume of high-quality synthetic signals can effectively substitute for massive human-curated datasets.
Authors: Songming Liu, Bangguo Li, Kai Ma, Lingxuan Wu, Hengkai Tan, Xiao Ouyang, Hang Su, Jun Zhu
Abstract: Vision-Language-Action (VLA) models hold promise for generalist robotics but currently struggle with data scarcity, architectural inefficiencies, and the inability to generalize across different hardware platforms. We introduce RDT2, a robotic foundation model built upon a 7B parameter VLM designed to enable zero-shot deployment on novel embodiments for open-vocabulary tasks. To achieve this, we collected one of the largest open-source robotic datasets--over 10,000 hours of demonstrations in diverse families--using an enhanced, embodiment-agnostic Universal Manipulation Interface (UMI). Our approach employs a novel three-stage training recipe that aligns discrete linguistic knowledge with continuous control via Residual Vector Quantization (RVQ), flow-matching, and distillation for real-time inference. Consequently, RDT2 becomes one of the first models that simultaneously zero-shot generalizes to unseen objects, scenes, instructions, and even robotic platforms. Besides, it outperforms state-of-the-art baselines in dexterous, long-horizon, and dynamic downstream tasks like playing table tennis. See https://rdt-robotics.github.io/rdt2/ for more information.
Authors: Alex Finkelstein, Ron Moneta, Or Zohar, Michal Rivlin, Moritz Zaiss, Dinora Friedmann Morvinski, Or Perlman
Abstract: Quantitative imaging methods, such as magnetic resonance fingerprinting (MRF), aim to extract interpretable pathology biomarkers by estimating biophysical tissue parameters from signal evolutions. However, the pattern-matching algorithms or neural networks used in such inverse problems often lack principled uncertainty quantification, which limits the trustworthiness and transparency, required for clinical acceptance. Here, we describe a physics-structured variational autoencoder (PS-VAE) designed for rapid extraction of voxelwise multi-parameter posterior distributions. Our approach integrates a differentiable spin physics simulator with self-supervised learning, and provides a full covariance that captures the inter-parameter correlations of the latent biophysical space. The method was validated in a multi-proton pool chemical exchange saturation transfer (CEST) and semisolid magnetization transfer (MT) molecular MRF study, across in-vitro phantoms, tumor-bearing mice, healthy human volunteers, and a subject with glioblastoma. The resulting multi-parametric posteriors are in good agreement with those calculated using a brute-force Bayesian analysis, while providing an orders-of-magnitude acceleration in whole brain quantification. In addition, we demonstrate how monitoring the multi-parameter posterior dynamics across progressively acquired signals provides practical insights for protocol optimization and may facilitate real-time adaptive acquisition.
Authors: T. Di Matteo, L. Riso, M. G. Zoia
Abstract: This paper proposes a machine learning-based framework for asset selection and portfolio construction, termed the Best-Path Algorithm Sparse Graphical Model (BPASGM). The method extends the Best-Path Algorithm (BPA) by mapping linear and non-linear dependencies among a large set of financial assets into a sparse graphical model satisfying a structural Markov property. Based on this representation, BPASGM performs a dependence-driven screening that removes positively or redundantly connected assets, isolating subsets that are conditionally independent or negatively correlated. This step is designed to enhance diversification and reduce estimation error in high-dimensional portfolio settings. Portfolio optimization is then conducted on the selected subset using standard mean-variance techniques. BPASGM does not aim to improve the theoretical mean-variance optimum under known population parameters, but rather to enhance realized performance in finite samples, where sample-based Markowitz portfolios are highly sensitive to estimation error. Monte Carlo simulations show that BPASGM-based portfolios achieve more stable risk-return profiles, lower realized volatility, and superior risk-adjusted performance compared to standard mean-variance portfolios. Empirical results for U.S. equities, global stock indices, and foreign exchange rates over 1990-2025 confirm these findings and demonstrate a substantial reduction in portfolio cardinality. Overall, BPASGM offers a statistically grounded and computationally efficient framework that integrates sparse graphical modeling with portfolio theory for dependence-aware asset selection.
Authors: Rakshith Vasudev, Melisa Russak, Dan Bikel, Waseem Alshikh
Abstract: Proactive interventions by LLM critic models are often assumed to improve reliability, yet their effects at deployment time are poorly understood. We show that a binary LLM critic with strong offline accuracy (AUROC 0.94) can nevertheless cause severe performance degradation, inducing a 26 percentage point (pp) collapse on one model while affecting another by near zero pp. This variability demonstrates that LLM critic accuracy alone is insufficient to determine whether intervention is safe. We identify a disruption-recovery tradeoff: interventions may recover failing trajectories but also disrupt trajectories that would have succeeded. Based on this insight, we propose a pre-deployment test that uses a small pilot of 50 tasks to estimate whether intervention is likely to help or harm, without requiring full deployment. Across benchmarks, the test correctly anticipates outcomes: intervention degrades performance on high-success tasks (0 to -26 pp), while yielding a modest improvement on the high-failure ALFWorld benchmark (+2.8 pp, p=0.014). The primary value of our framework is therefore identifying when not to intervene, preventing severe regressions before deployment.
Authors: Bryan Sangwoo Kim, Jonghyun Park, Jong Chul Ye
Abstract: Text-conditioned diffusion models have advanced image and video super-resolution by using prompts as semantic priors, but modern super-resolution pipelines typically rely on latent tiling to scale to high resolutions, where a single global caption causes prompt underspecification. A coarse global prompt often misses localized details (prompt sparsity) and provides locally irrelevant guidance (prompt misguidance) that can be amplified by classifier-free guidance. We propose Tiled Prompts, a unified framework for image and video super-resolution that generates a tile-specific prompt for each latent tile and performs super-resolution under locally text-conditioned posteriors, providing high-information guidance that resolves prompt underspecification with minimal overhead. Experiments on high resolution real-world images and videos show consistent gains in perceptual quality and text alignment, while reducing hallucinations and tile-level artifacts relative to global-prompt baselines.
Authors: Mayank Goel, Aritra Das, Paras Chopra
Abstract: We build a custom transformer model to study how neural networks make moral decisions on trolley-style dilemmas. The model processes structured scenarios using embeddings that encode who is affected, how many people, and which outcome they belong to. Our 2-layer architecture achieves 77% accuracy on Moral Machine data while remaining small enough for detailed analysis. We use different interpretability techniques to uncover how moral reasoning distributes across the network, demonstrating that biases localize to distinct computational stages among other findings.
Authors: Chang Li, Kanglei Zhou, Liyuan Wang
Abstract: Audio is a fundamental modality for analyzing speech, music, and environmental sounds. Although pretrained audio models have significantly advanced audio understanding, they remain fragile in real-world settings where data distributions shift over time. In this work, we present the first systematic benchmark for audio continual learning (CL) with pretrained models (PTMs), together with a comprehensive analysis of its unique challenges. Unlike in vision, where parameter-efficient fine-tuning (PEFT) has proven effective for CL, directly transferring such strategies to audio leads to poor performance. This stems from a fundamental property of audio backbones: they focus on low-level spectral details rather than structured semantics, causing severe upstream-downstream misalignment. Through extensive empirical study, we identify analytic classifiers with first-session adaptation (FSA) as a promising direction, but also reveal two major limitations: representation saturation in coarse-grained scenarios and representation drift in fine-grained scenarios. To address these challenges, we propose PACE, a novel method that enhances FSA via a regularized analytic classifier and enables multi-session adaptation through adaptive subspace-orthogonal PEFT for improved semantic alignment. In addition, we introduce spectrogram-based boundary-aware perturbations to mitigate representation overlap and improve stability. Experiments on six diverse audio CL benchmarks demonstrate that PACE substantially outperforms state-of-the-art baselines, marking an important step toward robust and scalable audio continual learning with PTMs.
Authors: Junmo Cho, Suhan Kim, Sangjune An, Minsu Kim, Dong Bok Lee, Heejun Lee, Sung Ju Hwang, Hae Beom Lee
Abstract: Finding effective prompts for language models (LMs) is critical yet notoriously difficult: the prompt space is combinatorially large, rewards are sparse due to expensive target-LM evaluation. Yet, existing RL-based prompt optimizers often rely on on-policy updates and a meta-prompt sampled from a fixed distribution, leading to poor sample efficiency. We propose GFlowPO, a probabilistic prompt optimization framework that casts prompt search as a posterior inference problem over latent prompts regularized by a meta-prompted reference-LM prior. In the first step, we fine-tune a lightweight prompt-LM with an off-policy Generative Flow Network (GFlowNet) objective, using a replay-based training policy that reuses past prompt evaluations to enable sample-efficient exploration. In the second step, we introduce Dynamic Memory Update (DMU), a training-free mechanism that updates the meta-prompt by injecting both (i) diverse prompts from a replay buffer and (ii) top-performing prompts from a small priority queue, thereby progressively concentrating the search process on high-reward regions. Across few-shot text classification, instruction induction benchmarks, and question answering tasks, GFlowPO consistently outperforms recent discrete prompt optimization baselines.
Authors: Takaya Kawakatsu, Ryo Ishiyama
Abstract: Handwritten Mathematical Expression Recognition (HMER) requires reasoning over diverse symbols and 2D structural layouts, yet autoregressive models struggle with exposure bias and syntactic inconsistency. We present a discrete diffusion framework that reformulates HMER as iterative symbolic refinement instead of sequential generation. Through multi-step remasking, the proposal progressively refines both symbols and structural relations, removing causal dependencies and improving structural consistency. A symbol-aware tokenization and Random-Masking Mutual Learning further enhance syntactic alignment and robustness to handwriting diversity. On the MathWriting benchmark, the proposal achieves 5.56\% CER and 60.42\% EM, outperforming strong Transformer and commercial baselines. Consistent gains on CROHME 2014--2023 demonstrate that discrete diffusion provides a new paradigm for structure-aware visual recognition beyond generative modeling.
Authors: Hyun Seok Seong, WonJun Moon, Jae-Pil Heo
Abstract: Unsupervised object-centric learning models, particularly slot-based architectures, have shown great promise in decomposing complex scenes. However, their reliance on reconstruction-based training creates a fundamental conflict between the sharp, high-frequency attention maps of the encoder and the spatially consistent but blurry reconstruction maps of the decoder. We identify that this discrepancy gives rise to a vicious cycle: the noisy feature map from the encoder forces the decoder to average over possibilities and produce even blurrier outputs, while the gradient computed from blurry reconstruction maps lacks high-frequency details necessary to supervise encoder features. To break this cycle, we introduce Synergistic Representation Learning (SRL) that establishes a virtuous cycle where the encoder and decoder mutually refine one another. SRL leverages the encoder's sharpness to deblur the semantic boundary within the decoder output, while exploiting the decoder's spatial consistency to denoise the encoder's features. This mutual refinement process is stabilized by a warm-up phase with a slot regularization objective that initially allocates distinct entities per slot. By bridging the representational gap between the encoder and decoder, SRL achieves state-of-the-art results on video object-centric learning benchmarks. Codes are available at https://github.com/hynnsk/SRL.
Authors: Pedro Jim\'enez, Luis A. Ortega, Pablo Morales-\'Alvarez, Daniel Hern\'andez-Lobato
Abstract: Deep neural networks (DNNs) often produce overconfident out-of-distribution predictions, motivating Bayesian uncertainty quantification. The Linearized Laplace Approximation (LLA) achieves this by linearizing the DNN and applying Laplace inference to the resulting model. Importantly, the linear model is also used for prediction. We argue this linearization in the posterior may degrade fidelity to the true Laplace approximation. To alleviate this problem, without increasing significantly the computational cost, we propose the Quadratic Laplace Approximation (QLA). QLA approximates each second order factor in the approximate Laplace log-posterior using a rank-one factor obtained via efficient power iterations. QLA is expected to yield a posterior precision closer to that of the full Laplace without forming the full Hessian, which is typically intractable. For prediction, QLA also uses the linearized model. Empirically, QLA yields modest yet consistent uncertainty estimation improvements over LLA on five regression datasets.
Authors: Mengxuan Wang, Yuxin Chen, Gang Xu, Tao He, Hongjie Jiang, Ming Li
Abstract: Vision language models (VLMs) extend the reasoning capabilities of large language models (LLMs) to cross-modal settings, yet remain highly vulnerable to multimodal jailbreak attacks. Existing defenses predominantly rely on safety fine-tuning or aggressive token manipulations, incurring substantial training costs or significantly degrading utility. Recent research shows that LLMs inherently recognize unsafe content in text, and the incorporation of visual inputs in VLMs frequently dilutes risk-related signals. Motivated by this, we propose Risk Awareness Injection (RAI), a lightweight and training-free framework for safety calibration that restores LLM-like risk recognition by amplifying unsafe signals in VLMs. Specifically, RAI constructs an Unsafe Prototype Subspace from language embeddings and performs targeted modulation on selected high-risk visual tokens, explicitly activating safety-critical signals within the cross-modal feature space. This modulation restores the model's LLM-like ability to detect unsafe content from visual inputs, while preserving the semantic integrity of original tokens for cross-modal reasoning. Extensive experiments across multiple jailbreak and utility benchmarks demonstrate that RAI substantially reduces attack success rate without compromising task performance.
Authors: Jeongbin Jo, Santanam Wishal, Shah Md Khalil Ullah, Shan Kowalski, Dikshant Dulai
Abstract: Quantum generative models offer a novel approach to exploring high-dimensional Hilbert spaces but face significant challenges in scalability and expressibility when applied to multi-modal distributions. In this study, we explore a Hybrid Quantum-Classical U-Net architecture integrated with Adaptive Non-Local Observables (ANO) as a potential solution to these hurdles. By compressing classical data into a dense quantum latent space and utilizing trainable observables, our model aims to extract non-local features that complement classical processing. We also investigate the role of Skip Connections in preserving semantic information during the reverse diffusion process. Experimental results on the full MNIST dataset (digits 0-9) demonstrate that the proposed architecture is capable of generating structurally coherent and recognizable images for all digit classes. While hardware constraints still impose limitations on resolution, our findings suggest that hybrid architectures with adaptive measurements provide a feasible pathway for mitigating mode collapse and enhancing generative capabilities in the NISQ era.
Authors: Siyi Wang, Shihong Tan, Siyi Liu, Hong Jia, Gongping Huang, James Bailey, Ting Dang
Abstract: Emotional expression in human speech is nuanced and compositional, often involving multiple, sometimes conflicting, affective cues that may diverge from linguistic content. In contrast, most expressive text-to-speech systems enforce a single utterance-level emotion, collapsing affective diversity and suppressing mixed or text-emotion-misaligned expression. While activation steering via latent direction vectors offers a promising solution, it remains unclear whether emotion representations are linearly steerable in TTS, where steering should be applied within hybrid TTS architectures, and how such complex emotion behaviors should be evaluated. This paper presents the first systematic analysis of activation steering for emotional control in hybrid TTS models, introducing a quantitative, controllable steering framework, and multi-rater evaluation protocols that enable composable mixed-emotion synthesis and reliable text-emotion mismatch synthesis. Our results demonstrate, for the first time, that emotional prosody and expressive variability are primarily synthesized by the TTS language module instead of the flow-matching module, and also provide a lightweight steering approach for generating natural, human-like emotional speech.
Authors: Tae Soo Kim, Yoonjoo Lee, Jaesang Yu, John Joon Young Chung, Juho Kim
Abstract: To handle ambiguous and open-ended requests, Large Language Models (LLMs) are increasingly trained to interact with users to surface intents they have not yet expressed (e.g., ask clarification questions). However, users are often ambiguous because they have not yet formed their intents: they must observe and explore outcomes to discover what they want. Simply asking "what kind of tone do you want?" fails when users themselves do not know. We introduce DiscoverLLM, a novel and generalizable framework that trains LLMs to help users form and discover their intents. Central to our approach is a novel user simulator that models cognitive state with a hierarchy of intents that progressively concretize as the model surfaces relevant options -- where the degree of concretization serves as a reward signal that models can be trained to optimize. Resulting models learn to collaborate with users by adaptively diverging (i.e., explore options) when intents are unclear, and converging (i.e., refine and implement) when intents concretize. Across proposed interactive benchmarks in creative writing, technical writing, and SVG drawing, DiscoverLLM achieves over 10% higher task performance while reducing conversation length by up to 40%. In a user study with 75 human participants, DiscoverLLM improved conversation satisfaction and efficiency compared to baselines.
Authors: Mathieu Luisier, Nicolas Vetsch, Alexander Maeder, Vincent Maillou, Anders Winka, Leonard Deuschle, Chen Hao Xia, Manasa Kaniselvan, Marko Mladenovic, Jiang Cao, Alexandros Nikolaos Ziogas
Abstract: The Non-equilibrium Green's function (NEGF) formalism is a particularly powerful method to simulate the quantum transport properties of nanoscale devices such as transistors, photo-diodes, or memory cells, in the ballistic limit of transport or in the presence of various scattering sources such as electronphonon, electron-photon, or even electron-electron interactions. The inclusion of all these mechanisms has been first demonstrated in small systems, composed of a few atoms, before being scaled up to larger structures made of thousands of atoms. Also, the accuracy of the models has kept improving, from empirical to fully ab-initio ones, e.g., density functional theory (DFT). This paper summarizes key (algorithmic) achievements that have allowed us to bring DFT+NEGF simulations closer to the dimensions and functionality of realistic systems. The possibility of leveraging graph neural networks and machine learning to speed up ab-initio device simulations is discussed as well.
Authors: Qixin Zeng, Shuo Zhang, Hongyin Zhang, Renjie Wang, Han Zhao, Libang Zhao, Runze Li, Donglin Wang, Chao Huang
Abstract: Lifelong learning is critical for embodied agents in open-world environments, where reinforcement learning fine-tuning has emerged as an important paradigm to enable Vision-Language-Action (VLA) models to master dexterous manipulation through environmental interaction. Thus, Continual Reinforcement Learning (CRL) is a promising pathway for deploying VLA models in lifelong robotic scenarios, yet balancing stability (retaining old skills) and plasticity (learning new ones) remains a formidable challenge for existing methods. We introduce CRL-VLA, a framework for continual post-training of VLA models with rigorous theoretical bounds. We derive a unified performance bound linking the stability-plasticity trade-off to goal-conditioned advantage magnitude, scaled by policy divergence. CRL-VLA resolves this dilemma via asymmetric regulation: constraining advantage magnitudes on prior tasks while enabling controlled growth on new tasks. This is realized through a simple but effective dual-critic architecture with novel Goal-Conditioned Value Formulation (GCVF), where a frozen critic anchors semantic consistency and a trainable estimator drives adaptation. Experiments on the LIBERO benchmark demonstrate that CRL-VLA effectively harmonizes these conflicting objectives, outperforming baselines in both anti-forgetting and forward adaptation.
Authors: Fabian Schneider, Meghdoot Mozumder, Konstantin Tamarov, Leila Taghizadeh, Tanja Tarvainen, Tapio Helin, Duc-Lam Duong
Abstract: Score-based diffusion models are a recently developed framework for posterior sampling in Bayesian inverse problems with a state-of-the-art performance for severely ill-posed problems by leveraging a powerful prior distribution learned from empirical data. Despite generating significant interest especially in the machine-learning community, a thorough study of realistic inverse problems in the presence of modelling error and utilization of physical measurement data is still outstanding. In this work, the framework of unconditional representation for the conditional score function (UCoS) is evaluated for linearized difference imaging in diffuse optical tomography (DOT). DOT uses boundary measurements of near-infrared light to estimate the spatial distribution of absorption and scattering parameters in biological tissues. The problem is highly ill-posed and thus sensitive to noise and modelling errors. We introduce a novel regularization approach that prevents overfitting of the score function by constructing a mixed score composed of a learned and a model-based component. Validation of this approach is done using both simulated and experimental measurement data. The experiments demonstrate that a data-driven prior distribution results in posterior samples with low variance, compared to classical model-based estimation, and centred around the ground truth, even in the context of a highly ill-posed problem and in the presence of modelling errors.
Authors: Haohao Luo, Zexi Li, Yuexiang Xie, Wenhao Zhang, Yaliang Li, Ying Shen
Abstract: Deep Research (DR) agents extend Large Language Models (LLMs) beyond parametric knowledge by autonomously retrieving and synthesizing evidence from large web corpora into long-form reports, enabling a long-horizon agentic paradigm. However, unlike real-time conversational assistants, DR is computationally expensive and time-consuming, creating an autonomy-interaction dilemma: high autonomy on ambiguous user queries often leads to prolonged execution with unsatisfactory outcomes. To address this, we propose IntentRL, a framework that trains proactive agents to clarify latent user intents before starting long-horizon research. To overcome the scarcity of open-ended research data, we introduce a scalable pipeline that expands a few seed samples into high-quality dialogue turns via a shallow-to-deep intent refinement graph. We further adopt a two-stage reinforcement learning (RL) strategy: Stage I applies RL on offline dialogues to efficiently learn general user-interaction behavior, while Stage II uses the trained agent and a user simulator for online rollouts to strengthen adaptation to diverse user feedback. Extensive experiments show that IntentRL significantly improves both intent hit rate and downstream task performance, outperforming the built-in clarify modules of closed-source DR agents and proactive LLM baselines.
Authors: Quanyu Long, Kai Jie Jiang, Jianda Chen, Xu Guo, Leilei Gan, Wenya Wang
Abstract: Large Reasoning Models (LRMs) achieve strong performance by generating long reasoning traces with reflection. Through a large-scale empirical analysis, we find that a substantial fraction of reflective steps consist of self-verification (recheck) that repeatedly confirm intermediate results. These rechecks occur frequently across models and benchmarks, yet the vast majority are confirmatory rather than corrective, rarely identifying errors and altering reasoning outcomes. This reveals a mismatch between how often self-verification is activated and how often it is actually useful. Motivated by this, we propose a novel, experience-driven test-time framework that reduces the overused verification. Our method detects the activation of recheck behavior, consults an offline experience pool of past verification outcomes, and estimates whether a recheck is likely unnecessary via efficient retrieval. When historical experience suggests unnecessary, a suppression signal redirects the model to proceed. Across multiple model and benchmarks, our approach reduces token usage up to 20.3% while maintaining the accuracy, and in some datasets even yields accuracy improvements.
Authors: Zeyu Zhu, Gang Li, Peisong Wang, Zitao Mo, Minnan Pei, Zhuoran Song, Xiaoyao Liang, Jian Cheng
Abstract: Mixture of Experts (MoE) architectures significantly enhance the capacity of LLMs without proportional increases in computation, but at the cost of a vast parameter size. Offloading MoE expert parameters to host memory and leveraging both CPU and GPU computation has recently emerged as a promising direction to support such models on resourceconstrained local PC platforms. While promising, we notice that existing approaches mismatch the dynamic nature of expert workloads, which leads to three fundamental inefficiencies: (1) Static expert assignment causes severe CPUGPU load imbalance, underutilizing CPU and GPU resources; (2) Existing prefetching techniques fail to accurately predict high-workload experts, leading to costly inaccurate prefetches; (3) GPU cache policies neglect workload dynamics, resulting in poor hit rates and limited effectiveness. To address these challenges, we propose DALI, a workloaDAware offLoadIng framework for efficient MoE inference on local PCs. To fully utilize hardware resources, DALI first dynamically assigns experts to CPU or GPU by modeling assignment as a 0-1 integer optimization problem and solving it efficiently using a Greedy Assignment strategy at runtime. To improve prefetching accuracy, we develop a Residual-Based Prefetching method leveraging inter-layer residual information to accurately predict high-workload experts. Additionally, we introduce a Workload-Aware Cache Replacement policy that exploits temporal correlation in expert activations to improve GPU cache efficiency. By evaluating across various MoE models and settings, DALI achieves significant speedups in the both prefill and decoding phases over the state-of-the-art offloading frameworks.
Authors: Saeed R. Khosravirad, Ahmed Alkhateeb, Ingrid van de Voorde
Abstract: This paper addresses optimal decoding strategies in lossy compression where the assumed distribution for compressor design mismatches the actual (true) distribution of the source. This problem has immediate relevance in standardized communication systems where the decoder acquires side information or priors about the true distribution that are unavailable to the fixed encoder. We formally define the mismatched quantization problem, demonstrating that the optimal reconstruction rule, termed generative decompression, aligns with classical Bayesian estimation by taking the conditional expectation under the true distribution given the quantization indices and adapting it to fixed-encoder constraints. This strategy effectively performs a generative Bayesian correction on the decoder side, strictly outperforming the conventional centroid rule. We extend this framework to transmission over noisy channels, deriving a robust soft-decoding rule that quantifies the inefficiency of standard modular source--channel separation architectures under mismatch. Furthermore, we generalize the approach to task-oriented decoding, showing that the optimal strategy shifts from conditional mean estimation to maximum a posteriori (MAP) detection. Experimental results on Gaussian sources and deep-learning-based semantic classification demonstrate that generative decompression closes a vast majority of the performance gap to the ideal joint-optimization benchmark, enabling adaptive, high-fidelity reconstruction without modifying the encoder.
Authors: Fangru Lin, Valentin Hofmann, Xingchen Wan, Weixing Wang, Zifeng Ding, Anthony G. Cohn, Janet B. Pierrehumbert
Abstract: Large language models (LLMs) are trained and tested extensively on symbolic representations such as code and graphs, yet real-world user tasks are often specified in natural language. To what extent can LLMs generalize across these representations? Here, we approach this question by studying isomorphic tasks involving procedures represented in code, graphs, and natural language (e.g., scheduling steps in planning). We find that training LLMs with popular post-training methods on graphs or code data alone does not reliably generalize to corresponding natural language tasks, while training solely on natural language can lead to inefficient performance gains. To address this gap, we propose a two-stage data curriculum that first trains on symbolic, then natural language data. The curriculum substantially improves model performance across model families and tasks. Remarkably, a 1.5B Qwen model trained by our method can closely match zero-shot GPT-4o in naturalistic planning. Finally, our analysis suggests that successful cross-representation generalization can be interpreted as a form of generative analogy, which our curriculum effectively encourages.
Authors: Linjie Mu, Zhongzhen Huang, Yannian Gu, Shengqian Qin, Shaoting Zhang, Xiaofan Zhang
Abstract: World models offer a principled framework for simulating future states under interventions, but realizing such models in complex, high-stakes domains like medicine remains challenging. Recent large language models (LLMs) have achieved strong performance on static medical reasoning tasks, raising the question of whether they can function as dynamic medical world models capable of simulating disease progression and treatment outcomes over time. In this work, we show that LLMs only incorporating medical knowledge struggle to maintain consistent patient states under sequential interventions, leading to error accumulation in long-horizon clinical simulation. To address this limitation, we introduce EHRWorld, a patient-centric medical world model trained under a causal sequential paradigm, together with EHRWorld-110K, a large-scale longitudinal clinical dataset derived from real-world electronic health records. Extensive evaluations demonstrate that EHRWorld significantly outperforms naive LLM-based baselines, achieving more stable long-horizon simulation, improved modeling of clinically sensitive events, and favorable reasoning efficiency, highlighting the necessity of training on causally grounded, temporally evolving clinical data for reliable and robust medical world modeling.
Authors: Yi-Kai Zhang, Zhiyuan Yao, Hongyan Hao, Yueqing Sun, Qi Gu, Hui Su, Xunliang Cai, De-Chuan Zhan, Han-Jia Ye
Abstract: Policy gradient methods rely on a baseline to measure the relative advantage of an action, ensuring the model reinforces behaviors that outperform its current average capability. In the training of Large Language Models (LLMs) using Actor-Critic methods (e.g., PPO), this baseline is typically estimated by a Value Model (Critic) often as large as the policy model itself. However, as the policy continuously evolves, the value model requires expensive, synchronous incremental training to accurately track the shifting capabilities of the policy. To avoid this overhead, Group Relative Policy Optimization (GRPO) eliminates the coupled value model by using the average reward of a group of rollouts as the baseline; yet, this approach necessitates extensive sampling to maintain estimation stability. In this paper, we propose $V_0$, a Generalist Value Model capable of estimating the expected performance of any model on unseen prompts without requiring parameter updates. We reframe value estimation by treating the policy's dynamic capability as an explicit context input; specifically, we leverage a history of instruction-performance pairs to dynamically profile the model, departing from the traditional paradigm that relies on parameter fitting to perceive capability shifts. Focusing on value estimation at State Zero (i.e., the initial prompt, hence $V_0$), our model serves as a critical resource scheduler. During GRPO training, $V_0$ predicts success rates prior to rollout, allowing for efficient sampling budget allocation; during deployment, it functions as a router, dispatching instructions to the most cost-effective and suitable model. Empirical results demonstrate that $V_0$ significantly outperforms heuristic budget allocation and achieves a Pareto-optimal trade-off between performance and cost in LLM routing tasks.
Authors: Anthony Stephenson, Ian Gallagher, Christopher Nemeth
Abstract: Graph generative modelling has become an essential task due to the wide range of applications in chemistry, biology, social networks, and knowledge representation. In this work, we propose a novel framework for generating graphs by adapting the Generator Matching (arXiv:2410.20587) paradigm to graph-structured data. We leverage the graph Laplacian and its associated heat kernel to define a continous-time diffusion on each graph. The Laplacian serves as the infinitesimal generator of this diffusion, and its heat kernel provides a family of conditional perturbations of the initial graph. A neural network is trained to match this generator by minimising a Bregman divergence between the true generator and a learnable surrogate. Once trained, the surrogate generator is used to simulate a time-reversed diffusion process to sample new graph structures. Our framework unifies and generalises existing diffusion-based graph generative models, injecting domain-specific inductive bias via the Laplacian, while retaining the flexibility of neural approximators. Experimental studies demonstrate that our approach captures structural properties of real and synthetic graphs effectively.
Authors: Arya Farahi, Jonah Rose, Paul Torrey
Abstract: We analyze a lightweight simulation-based inference method that infers simulator parameters using only a regression-based projection of the observed data. After fitting a surrogate linear regression once, the procedure simulates small batches at the proposed parameter values and assigns kernel weights based on the resulting batch-residual discrepancy, producing a self-normalized pseudo-posterior that is simple, parallelizable, and requires access only to the fitted regression coefficients rather than raw observations. We formalize the construction as an importance-sampling approximation to a population target that averages over simulator randomness, prove consistency as the number of parameter draws grows, and establish stability in estimating the surrogate regression from finite samples. We then characterize the asymptotic concentration as the batch size increases and the bandwidth shrinks, showing that the pseudo-posterior concentrates on an identified set determined by the chosen projection, thereby clarifying when the method yields point versus set identification. Experiments on a tractable nonlinear model and on a cosmological calibration task using the DREAMS simulation suite illustrate the computational advantages of regression-based projections and the identifiability limitations arising from low-information summaries.
Authors: Chao Huang, Yujing Lu, Quangang Li, Shenghe Wang, Yan Wang, Yueyang Zhang, Long Xia, Jiashu Zhao, Zhiyuan Sun, Daiting Shi, Tingwen Liu
Abstract: Entropy regularization is a standard technique in reinforcement learning (RL) to enhance exploration, yet it yields negligible effects or even degrades performance in Large Language Models (LLMs). We attribute this failure to the cumulative tail risk inherent to LLMs with massive vocabularies and long generation horizons. In such environments, standard global entropy maximization indiscriminately dilutes probability mass into the vast tail of invalid tokens rather than focusing on plausible candidates, thereby disrupting coherent reasoning. To address this, we propose Trust Region Entropy (TRE), a method that encourages exploration strictly within the model's trust region. Extensive experiments across mathematical reasoning (MATH), combinatorial search (Countdown), and preference alignment (HH) tasks demonstrate that TRE consistently outperforms vanilla PPO, standard entropy regularization, and other exploration baselines. Our code is available at https://github.com/WhyChaos/TRE-Encouraging-Exploration-in-the-Trust-Region.
URLs: https://github.com/WhyChaos/TRE-Encouraging-Exploration-in-the-Trust-Region.
Authors: Yang Wan, Zheng Cao, Zhenhao Zhang, Zhengwen Zeng, Shuheng Shen, Changhua Meng, Linchao Zhu
Abstract: Large language models excel as few-shot learners when provided with appropriate demonstrations, yet this strength becomes problematic in multiturn agent scenarios, where LLMs erroneously mimic their own previous responses as few-shot examples. Through attention analysis, we identify conversational inertia, a phenomenon where models exhibit strong diagonal attention to previous responses, which is associated with imitation bias that constrains exploration. This reveals a tension when transforming few-shot LLMs into agents: longer context enriches environmental feedback for exploitation, yet also amplifies conversational inertia that undermines exploration. Our key insight is that for identical states, actions generated with longer contexts exhibit stronger inertia than those with shorter contexts, enabling construction of preference pairs without environment rewards. Based on this, we propose Context Preference Learning to calibrate model preferences to favor low-inertia responses over highinertia ones. We further provide context management strategies at inference time to balance exploration and exploitation. Experimental results across eight agentic environments and one deep research scenario validate that our framework reduces conversational inertia and achieves performance improvements.
Authors: Sandeep Patil, Yongqi Dong, Haneen Farah, Hans Hellendoorn
Abstract: Lane detection is a crucial perception task for all levels of automated vehicles (AVs) and Advanced Driver Assistance Systems, particularly in mixed-traffic environments where AVs must interact with human-driven vehicles (HDVs) and challenging traffic scenarios. Current methods lack versatility in delivering accurate, robust, and real-time compatible lane detection, especially vision-based methods often neglect critical regions of the image and their spatial-temporal (ST) salience, leading to poor performance in difficult circumstances such as serious occlusion and dazzle lighting. This study introduces a novel sequential neural network model with a spatial-temporal attention mechanism to focus on key features of lane lines and exploit salient ST correlations among continuous image frames. The proposed model, built on a standard encoder-decoder structure and common neural network backbones, is trained and evaluated on three large-scale open-source datasets. Extensive experiments demonstrate the strength and robustness of the proposed model, outperforming state-of-the-art methods in various testing scenarios. Furthermore, with the ST attention mechanism, the developed sequential neural network models exhibit fewer parameters and reduced Multiply-Accumulate Operations (MACs) compared to baseline sequential models, highlighting their computational efficiency. Relevant data, code, and models are released at https://doi.org/10.4121/4619cab6-ae4a-40d5-af77-582a77f3d821.
URLs: https://doi.org/10.4121/4619cab6-ae4a-40d5-af77-582a77f3d821.
Authors: Difan Deng, Andreas Bentzen Winje, Lukas Fehring, Marius Lindauer
Abstract: The quadratic computational complexity of softmax transformers has become a bottleneck in long-context scenarios. In contrast, linear attention model families provide a promising direction towards a more efficient sequential model. These linear attention models compress past KV values into a single hidden state, thereby efficiently reducing complexity during both training and inference. However, their expressivity remains limited by the size of their hidden state. Previous work proposed interleaving softmax and linear attention layers to reduce computational complexity while preserving expressivity. Nevertheless, the efficiency of these models remains bottlenecked by their softmax attention layers. In this paper, we propose Neural Attention Search Linear (NAtS-L), a framework that applies both linear attention and softmax attention operations within the same layer on different tokens. NAtS-L automatically determines whether a token can be handled by a linear attention model, i.e., tokens that have only short-term impact and can be encoded into fixed-size hidden states, or require softmax attention, i.e., tokens that contain information related to long-term retrieval and need to be preserved for future queries. By searching for optimal Gated DeltaNet and softmax attention combinations across tokens, we show that NAtS-L provides a strong yet efficient token-level hybrid architecture.
Authors: Pierre Agui\'e, Mathieu Even, Laurent Massouli\'e
Abstract: We analyze the Accelerated Noisy Power Method, an algorithm for Principal Component Analysis in the setting where only inexact matrix-vector products are available, which can arise for instance in decentralized PCA. While previous works have established that acceleration can improve convergence rates compared to the standard Noisy Power Method, these guarantees require overly restrictive upper bounds on the magnitude of the perturbations, limiting their practical applicability. We provide an improved analysis of this algorithm, which preserves the accelerated convergence rate under much milder conditions on the perturbations. We show that our new analysis is worst-case optimal, in the sense that the convergence rate cannot be improved, and that the noise conditions we derive cannot be relaxed without sacrificing convergence guarantees. We demonstrate the practical relevance of our results by deriving an accelerated algorithm for decentralized PCA, which has similar communication costs to non-accelerated methods. To our knowledge, this is the first decentralized algorithm for PCA with provably accelerated convergence.
Authors: Metehan Karatas, Subhrakanti Dey, Christian Rohner, Jose Mairton Barros da Silva Jr
Abstract: Federated learning in vehicular edge networks faces major challenges in efficient resource allocation, largely due to high vehicle mobility and the presence of imperfect channel state information. Many existing methods oversimplify these realities, often assuming fixed communication rounds or ideal channel conditions, which limits their effectiveness in real-world scenarios. To address this, we propose variable rate vehicular federated learning (VR-VFL), a novel federated learning method designed specifically for vehicular networks under imperfect channel state information. VR-VFL combines dynamic client selection with adaptive transmission rate selection, while also allowing round times to flex in response to changing wireless conditions. At its core, VR-VFL is built on a bi-objective optimization framework that strikes a balance between improving learning convergence and minimizing the time required to complete each round. By accounting for both the challenges of mobility and realistic wireless constraints, VR-VFL offers a more practical and efficient approach to federated learning in vehicular edge networks. Simulation results show that the proposed VR-VFL scheme achieves convergence approximately 40% faster than other methods in the literature.
Authors: Luke Solo, Matthew B. A. McDermott, William F. Parker, Bashar Ramadan, Michael C. Burkhart, Brett K. Beaulieu-Jones
Abstract: Generative models trained using self-supervision of tokenized electronic health record (EHR) timelines show promise for clinical outcome prediction. This is typically done using Monte Carlo simulation for future patient trajectories. However, existing approaches suffer from three key limitations: sparse estimate distributions that poorly differentiate patient risk levels, extreme computational costs, and high sampling variance. We propose two new estimators: the Sum of Conditional Outcome Probability Estimator (SCOPE) and Risk Estimation from Anticipated Conditional Hazards (REACH), that leverage next-token probability distributions discarded by standard Monte Carlo. We prove both estimators are unbiased and that REACH guarantees variance reduction over Monte Carlo sampling for any model and outcome. Empirically, on hospital mortality prediction in MIMIC-IV using the ETHOS-ARES framework, SCOPE and REACH match 100-sample Monte Carlo performance using only 10-11 samples (95% CI: [9,11]), representing a ~10x reduction in inference cost without degrading calibration. For ICU admission prediction, efficiency gains are more modest (~1.2x), which we attribute to the outcome's lower "spontaneity," a property we characterize theoretically and empirically. These methods substantially improve the feasibility of deploying generative EHR models in resource-constrained clinical settings.
Authors: Hugo Malard, Gael Le Lan, Daniel Wong, David Lou Alon, Yi-Chiao Wu, Sanjeel Parekh
Abstract: Visually-guided acoustic highlighting seeks to rebalance audio in alignment with the accompanying video, creating a coherent audio-visual experience. While visual saliency and enhancement have been widely studied, acoustic highlighting remains underexplored, often leading to misalignment between visual and auditory focus. Existing approaches use discriminative models, which struggle with the inherent ambiguity in audio remixing, where no natural one-to-one mapping exists between poorly-balanced and well-balanced audio mixes. To address this limitation, we reframe this task as a generative problem and introduce a Conditional Flow Matching (CFM) framework. A key challenge in iterative flow-based generation is that early prediction errors -- in selecting the correct source to enhance -- compound over steps and push trajectories off-manifold. To address this, we introduce a rollout loss that penalizes drift at the final step, encouraging self-correcting trajectories and stabilizing long-range flow integration. We further propose a conditioning module that fuses audio and visual cues before vector field regression, enabling explicit cross-modal source selection. Extensive quantitative and qualitative evaluations show that our method consistently surpasses the previous state-of-the-art discriminative approach, establishing that visually-guided audio remixing is best addressed through generative modeling.
Authors: Gabriel Damsholt, Jes Frellsen, Susanne Ditlevsen
Abstract: Stochastic interpolants unify flows and diffusions, popular generative modeling frameworks. A primary hyperparameter in these methods is the interpolation schedule that determines how to bridge a standard Gaussian base measure to an arbitrary target measure. We prove how to convert a sample path of a stochastic differential equation (SDE) with arbitrary diffusion coefficient under any schedule into the unique sample path under another arbitrary schedule and diffusion coefficient. We then extend the stochastic interpolant framework to admit a larger class of point mass schedules in which the Gaussian base measure collapses to a point mass measure. Under the assumption of Gaussian data, we identify lazy schedule families that make the drift identically zero and show that with deterministic sampling one gets a variance-preserving schedule commonly used in diffusion models, whereas with statistically optimal SDE sampling one gets our point mass schedule. Finally, to demonstrate the usefulness of our theoretical results on realistic highly non-Gaussian data, we apply our lazy schedule conversion to a state-of-the-art pretrained flow model and show that this allows for generating images in fewer steps without retraining the model.
Authors: Yingxuan Yang, Chengrui Qu, Muning Wen, Laixi Shi, Ying Wen, Weinan Zhang, Adam Wierman, Shangding Gu
Abstract: LLM-based multi-agent systems (MAS) have emerged as a promising approach to tackle complex tasks that are difficult for individual LLMs. A natural strategy is to scale performance by increasing the number of agents; however, we find that such scaling exhibits strong diminishing returns in homogeneous settings, while introducing heterogeneity (e.g., different models, prompts, or tools) continues to yield substantial gains. This raises a fundamental question: what limits scaling, and why does diversity help? We present an information-theoretic framework showing that MAS performance is bounded by the intrinsic task uncertainty, not by agent count. We derive architecture-agnostic bounds demonstrating that improvements depend on how many effective channels the system accesses. Homogeneous agents saturate early because their outputs are strongly correlated, whereas heterogeneous agents contribute complementary evidence. We further introduce $K^*$, an effective channel count that quantifies the number of effective channels without ground-truth labels. Empirically, we show that heterogeneous configurations consistently outperform homogeneous scaling: 2 diverse agents can match or exceed the performance of 16 homogeneous agents. Our results provide principled guidelines for building efficient and robust MAS through diversity-aware design. Code and Dataset are available at the link: https://github.com/SafeRL-Lab/Agent-Scaling.
Authors: Xi Wang, Anushri Suresh, Alvin Zhang, Rishi More, William Jurayj, Benjamin Van Durme, Mehrdad Farajtabar, Daniel Khashabi, Eric Nalisnick
Abstract: Reasoning Large Language Models (LLMs) enable test-time scaling, with dataset-level accuracy improving as the token budget increases, motivating adaptive reasoning -- spending tokens when they improve reliability and stopping early when additional computation is unlikely to help. However, setting the token budget, as well as the threshold for adaptive reasoning, is a practical challenge that entails a fundamental risk-accuracy trade-off. We re-frame the budget setting problem as risk control, limiting the error rate while minimizing compute. Our framework introduces an upper threshold that stops reasoning when the model is confident (risking incorrect output) and a novel parametric lower threshold that preemptively stops unsolvable instances (risking premature stoppage). Given a target risk and a validation set, we use distribution-free risk control to optimally specify these stopping mechanisms. For scenarios with multiple budget controlling criteria, we incorporate an efficiency loss to select the most computationally efficient exiting mechanism. Empirical results across diverse reasoning tasks and models demonstrate the effectiveness of our risk control approach, demonstrating computational efficiency gains from the lower threshold and ensemble stopping mechanisms while adhering to the user-specified risk target.
Authors: Dingkun Zhang, Shuhan Qi, Yulin Wu, Xinyu Xiao, Xuan Wang, Long Chen
Abstract: Multimodal Large Language Models (MLLMs) suffer from severe training inefficiency issue, which is associated with their massive model sizes and visual token numbers. Existing efforts in efficient training focus on reducing model sizes or trainable parameters. Inspired by the success of Visual Token Pruning (VTP) in improving inference efficiency, we are exploring another substantial research direction for efficient training by reducing visual tokens. However, applying VTP at the training stage results in a training-inference mismatch: pruning-trained models perform poorly when inferring on non-pruned full visual token sequences. To close this gap, we propose DualSpeed, a fast-slow framework for efficient training of MLLMs. The fast-mode is the primary mode, which incorporates existing VTP methods as plugins to reduce visual tokens, along with a mode isolator to isolate the model's behaviors. The slow-mode is the auxiliary mode, where the model is trained on full visual sequences to retain training-inference consistency. To boost its training, it further leverages self-distillation to learn from the sufficiently trained fast-mode. Together, DualSpeed can achieve both training efficiency and non-degraded performance. Experiments show DualSpeed accelerates the training of LLaVA-1.5 by 2.1$\times$ and LLaVA-NeXT by 4.0$\times$, retaining over 99% performance. Code: https://github.com/dingkun-zhang/DualSpeed
Authors: Dovid Parnas, Mathieu Even, Julie Josse, Uri Shalit
Abstract: We introduce a new preference-based framework for conditional treatment effect estimation and policy learning, built on the Conditional Preference-based Treatment Effect (CPTE). CPTE requires only that outcomes be ranked under a preference rule, unlocking flexible modeling of heterogeneous effects with multivariate, ordinal, or preference-driven outcomes. This unifies applications such as conditional probability of necessity and sufficiency, conditional Win Ratio, and Generalized Pairwise Comparisons. Despite the intrinsic non-identifiability of comparison-based estimands, CPTE provides interpretable targets and delivers new identifiability conditions for previous unidentifiable estimands. We present estimation strategies via matching, quantile, and distributional regression, and further design efficient influence-function estimators to correct plug-in bias and maximize policy value. Synthetic and semi-synthetic experiments demonstrate clear performance gains and practical impact.
Authors: Devroop Kar, Daniel Krutz, Travis Desell
Abstract: Designing effective quantum circuits remains a central challenge in quantum computing, as circuit structure strongly influences expressivity, trainability, and hardware feasibility. Current approaches, whether using manually designed circuit templates, fixed heuristics, or automated rules, face limitations in scalability, flexibility, and adaptability, often producing circuits that are poorly matched to the specific problem or quantum hardware. In this work, we propose the Evolutionary eXploration of Augmenting Quantum Circuits (EXAQC), an evolutionary approach to the automated design and training of parameterized quantum circuits (PQCs) which leverages and extends on strategies from neuroevolution and genetic programming. The proposed method jointly searches over gate types, qubit connectivity, parameterization, and circuit depth while respecting hardware and noise constraints. The method supports both Qiskit and Pennylane libraries, allowing the user to configure every aspect. This work highlights evolutionary search as a critical tool for advancing quantum machine learning and variational quantum algorithms, providing a principled pathway toward scalable, problem-aware, and hardware-efficient quantum circuit design. Preliminary results demonstrate that circuits evolved on classification tasks are able to achieve over 90% accuracy on most of the benchmark datasets with a limited computational budget, and are able to emulate target circuit quantum states with high fidelity scores.
Authors: Hua Zheng, Wei Xie, M. Ben Feng
Abstract: Experience replay is a core ingredient of modern deep reinforcement learning, yet its benefits in policy optimization are poorly understood beyond empirical heuristics. This paper develops a novel theoretical framework for experience replay in modern policy gradient methods, where two sources of dependence fundamentally complicate analysis: Markovian correlations along trajectories and policy drift across optimization iterations. We introduce a new proof technique based on auxiliary Markov chains and lag-based decoupling that makes these dependencies tractable. Within this framework, we derive finite-time bias bounds for policy-gradient estimators under replay, identifying how bias scales with the cumulative policy update, the mixing time of the underlying dynamics, and the age of buffered data, thereby formalizing the practitioner's rule of avoiding overly stale replay. We further provide a correlation-aware variance decomposition showing how sample dependence governs gradient variance from replay and when replay is beneficial. Building on these characterizations, we establish the finite-time convergence guarantees for experience-replay-based policy optimization, explicitly quantifying how buffer size, sample correlation, and mixing jointly determine the convergence rate and revealing an inherent bias-variance trade-off: larger buffers can reduce variance by averaging less correlated samples but can increase bias as data become stale. These results offer a principled guide for buffer sizing and replay schedules, bridging prior empirical findings with quantitative theory.
Authors: Vlad Niculae, Caio F. Corro, Nikita Nangia, Tsvetomila Mihaylova, Andr\'e F. T. Martins
Abstract: Many types of data from fields including natural language processing, computer vision, and bioinformatics, are well represented by discrete, compositional structures such as trees, sequences, or matchings. Latent structure models are a powerful tool for learning to extract such representations, offering a way to incorporate structural bias, discover insight about the data, and interpret decisions. However, effective training is challenging, as neural networks are typically designed for continuous computation. This text explores three broad strategies for learning with discrete latent structure: continuous relaxation, surrogate gradients, and probabilistic estimation. Our presentation relies on consistent notations for a wide range of models. As such, we reveal many new connections between latent structure learning strategies, showing how most consist of the same small set of fundamental building blocks, but use them differently, leading to substantially different applicability and properties.
Authors: Vahan Arsenyan, Antoine Grosnit, Haitham Bou-Ammar, Arnak Dalalyan
Abstract: We introduce a unified framework for contextual and causal Bayesian optimisation, which aims to design intervention policies maximising the expectation of a target variable. Our approach leverages both observed contextual information and known causal graph structures to guide the search. Within this framework, we propose a novel algorithm that jointly optimises over policies and the sets of variables on which these policies are defined. This thereby extends and unifies two previously distinct approaches: Causal Bayesian Optimisation and Contextual Bayesian Optimisation, while also addressing their limitations in scenarios that yield suboptimal results. We derive worst-case and instance-dependent high-probability regret bounds for our algorithm. We report experimental results across diverse environments, corroborating that our approach achieves sublinear regret and reduces sample complexity in high-dimensional settings.
Authors: Akira Kitaoka
Abstract: A data-driven inverse optimization problem (DDIOP) seeks to estimate an objective function (i.e., weights) that is consistent with observed optimal-solution data, and is important in many applications, including those involving mixed integer linear programs (MILPs). In the DDIOP for MILPs, the prediction loss on features (PLF), defined as the discrepancy between observed and predicted feature values, becomes discontinuous with respect to the weights, which makes it difficult to apply gradient-based optimization. To address this issue, we focus on a Lipschitz continuous and convex suboptimality loss. By exploiting its convex and piecewise-linear structure and the interiority of the minimum set, we show that a broad class of gradient-based optimization methods, including projected subgradient descent (PSGD), reaches the minimum suboptimality loss value in a finite number of iterations, thereby exactly solving the DDIOP for MILPs. Furthermore, as a corollary, we show that PSGD attains the minimum PLF in finitely many iterations. We also derive an upper bound on the number of iterations required for PSGD to reach finite convergence, and confirm the finite-step behavior through numerical experiments.
Authors: Nolan Dey, Shane Bergsma, Joel Hestness
Abstract: Several challenges make it difficult for sparse neural networks to compete with dense models. First, setting a large fraction of weights to zero impairs forward and gradient signal propagation. Second, sparse studies often need to test multiple sparsity levels, while also introducing new hyperparameters (HPs), leading to prohibitive tuning costs. Indeed, the standard practice is to re-use the learning HPs originally crafted for dense models. Unfortunately, we show sparse and dense networks do not share the same optimal HPs. Without stable dynamics and effective training recipes, it is costly to test sparsity at scale, which is key to surpassing dense networks and making the business case for sparsity acceleration in hardware. A holistic approach is needed to tackle these challenges and we propose S$\mu$Par as one such approach. For random unstructured static sparsity, S$\mu$Par ensures activations, gradients, and weight updates all scale independently of sparsity level. Further, by reparameterizing the HPs, S$\mu$Par enables the same HP values to be optimal as we vary both sparsity level and model width. HPs can be tuned on small dense networks and transferred to large sparse models, greatly reducing tuning costs. On large-scale language modeling, S$\mu$Par shows increasing improvements over standard parameterization as sparsity increases, leading up to 11.9% relative loss improvement at 99.2% sparsity. A minimal implementation of S$\mu$Par is available at https://github.com/EleutherAI/nanoGPT-mup/tree/supar.
Authors: Wen-Tse Chen, Yuxuan Li, Shiyu Huang, Jiayu Chen, Jeff Schneider
Abstract: Multi-agent credit assignment is a fundamental challenge for cooperative multi-agent reinforcement learning (MARL), where a team of agents learn from shared reward signals. The Individual-Global-Max (IGM) condition is a widely used principle for multi-agent credit assignment, requiring that the joint action determined by individual Q-functions maximizes the global Q-value. Meanwhile, the principle of maximum entropy has been leveraged to enhance exploration in MARL. However, we identify a critical limitation in existing maximum entropy MARL methods: a misalignment arises between local policies and the joint policy that maximizes the global Q-value, leading to violations of the IGM condition. To address this misalignment, we propose an order-preserving transformation. Building on it, we introduce ME-IGM, a novel maximum entropy MARL algorithm compatible with any credit assignment mechanism that satisfies the IGM condition while enjoying the benefits of maximum entropy exploration. We empirically evaluate two variants of ME-IGM: ME-QMIX and ME-QPLEX, in non-monotonic matrix games, and demonstrate their state-of-the-art performance across 17 scenarios in SMAC-v2 and Overcooked.
Authors: Maresa Schr\"oder, Dennis Frauen, Jonas Schweisthal, Konstantin He{\ss}, Valentyn Melnychuk, Stefan Feuerriegel
Abstract: Uncertainty quantification of causal effects is crucial for safety-critical applications such as personalized medicine. A powerful approach for this is conformal prediction, which has several practical benefits due to model-agnostic finite-sample guarantees. Yet, existing methods for conformal prediction of causal effects are limited to binary/discrete treatments and make highly restrictive assumptions such as known propensity scores. In this work, we provide a novel conformal prediction method for potential outcomes of continuous treatments. We account for the additional uncertainty introduced through propensity estimation so that our conformal prediction intervals are valid even if the propensity score is unknown. Our contributions are three-fold: (1) We derive finite-sample prediction intervals for potential outcomes of continuous treatments. (2) We provide an algorithm for calculating the derived intervals. (3) We demonstrate the effectiveness of the conformal prediction intervals in experiments on synthetic and real-world datasets. To the best of our knowledge, we are the first to propose conformal prediction for continuous treatments when the propensity score is unknown and must be estimated from data.
Authors: Fenglei Fan, Juntong Fan, Dayang Wang, Jingbo Zhang, Zelin Dong, Shijun Zhang, Ge Wang, Tieyong Zeng
Abstract: The rapid growth of large models' size has far outpaced that of computing resources. To bridge this gap, encouraged by the parsimonious relationship between genotype and phenotype in the brain's growth and development, we propose the so-called Hyper-Compression that turns the model compression into the issue of parameter representation via a hyperfunction. Specifically, it is known that the trajectory of some low-dimensional dynamic systems can fill the high-dimensional space eventually. Thus, Hyper-Compression, using these dynamic systems as the hyperfunctions, represents the parameters of the target network by their corresponding composition number or trajectory length. This suggests a novel mechanism for model compression, substantially different from the existing pruning, quantization, distillation, and decomposition. Along this direction, we methodologically identify a suitable dynamic system with the irrational winding as the hyperfunction and theoretically derive its associated error bound. Next, guided by our theoretical insights, we propose several engineering twists to make the Hyper-Compression pragmatic and effective. Lastly, systematic and comprehensive experiments on \textcolor{black}{NLP models such as LLaMA and Qwen series and vision models} confirm that Hyper-Compression enjoys the following \textbf{PNAS} merits: 1) \textbf{P}referable compression ratio; 2) \textbf{N}o post-hoc retraining; 3) \textbf{A}ffordable inference time; and 4) \textbf{S}hort compression time. It compresses LLaMA2-7B in an hour and achieves close-to-int4-quantization performance, without retraining and with a performance drop of less than 1\%. We have open-sourced our code in https://github.com/Juntongkuki/Hyper-Compression.git for free download and evaluation.
Authors: Taesun Yeom, Sangyoon Lee, Jaeho Lee
Abstract: Neural fields are an emerging paradigm that represent data as continuous functions parameterized by neural networks. Despite many advantages, neural fields often have a high training cost, which prevents a broader adoption. In this paper, we focus on a popular family of neural fields, called sinusoidal neural fields (SNFs), and study how it should be initialized to maximize the training speed. We find that the standard initialization scheme for SNFs -- designed based on the signal propagation principle -- is suboptimal. In particular, we show that by simply multiplying each weight (except for the last layer) by a constant, we can accelerate SNF training by 10$\times$. This method, coined $\textit{weight scaling}$, consistently provides a significant speedup over various data domains, allowing the SNFs to train faster than more recently proposed architectures. To understand why the weight scaling works well, we conduct extensive theoretical and empirical analyses which reveal that the weight scaling not only resolves the spectral bias quite effectively but also enjoys a well-conditioned optimization trajectory. The code is available $\href{https://github.com/effl-lab/Fast-Neural-Fields}{here}$.
Authors: Seunghan Lee, Taeyoung Park, Kibok Lee
Abstract: Recent advancements in foundation models have been successfully extended to the time series (TS) domain, facilitated by the emergence of large-scale TS datasets. However, previous efforts have primarily Capturing channel dependency (CD) is essential for modeling multivariate time series (TS), and attention-based methods have been widely employed for this purpose. Nonetheless, these methods primarily focus on modifying the architecture, often neglecting the importance of dataset-specific characteristics. In this work, we introduce the concept of partial channel dependence (PCD) to enhance CD modeling in Transformer-based models by leveraging dataset-specific information to refine the CD captured by the model. To achieve PCD, we propose channel masks (CMs), which are integrated into the attention matrices of Transformers via element-wise multiplication. CMs consist of two components: 1) a similarity matrix that captures relationships between the channels, and 2) dataset-specific and learnable domain parameters that refine the similarity matrix. We validate the effectiveness of PCD across diverse tasks and datasets with various backbones. Code is available at this repository: https://github.com/YonseiML/pcd.
Authors: Idan Barnea, Tal Lancewicki, Yishay Mansour
Abstract: We study the regret in stochastic Multi-Armed Bandits (MAB) with multiple agents that communicate over an arbitrary connected communication graph. We analyzed a variant of Cooperative Successive Elimination algorithm, COOP-SE, and show an individual regret bound of $O(R/ m + A^2 + A \sqrt{\log T})$ and a nearly matching lower bound. Here $A$ is the number of actions, $T$ the time horizon, $m$ the number of agents, and $R = \sum_{\Delta_i > 0}\log(T)/\Delta_i$ is the optimal single agent regret, where $\Delta_i$ is the sub-optimality gap of action $i$. Our work is the first to show an individual regret bound in cooperative stochastic MAB that is independent of the graph's diameter. When considering communication networks there are additional considerations beyond regret, such as message size and number of communication rounds. First, we show that our regret bound holds even if we restrict the messages to be of logarithmic size. Second, for logarithmic number of communication rounds, we obtain a regret bound of $O(R / m+A \log T)$.
Authors: Anxin Guo, Aravindan Vijayaraghavan
Abstract: We consider the problem of learning an arbitrarily-biased ReLU activation (or neuron) over Gaussian marginals with the squared loss objective. Despite the ReLU neuron being the basic building block of modern neural networks, we still do not understand the basic algorithmic question of whether one arbitrary ReLU neuron is learnable in the non-realizable setting. In particular, all existing polynomial time algorithms only provide approximation guarantees for the better-behaved unbiased setting or restricted bias setting. Our main result is a polynomial time statistical query (SQ) algorithm that gives the first constant factor approximation for arbitrary bias. It outputs a ReLU activation that achieves a loss of $O(\mathrm{OPT}) + \varepsilon$ in time $\mathrm{poly}(d,1/\varepsilon)$, where $\mathrm{OPT}$ is the loss obtained by the optimal ReLU activation. Our algorithm presents an interesting departure from existing algorithms, which are all based on gradient descent and thus fall within the class of correlational statistical query (CSQ) algorithms. We complement our algorithmic result by showing that no polynomial time CSQ algorithm can achieve a constant factor approximation. Together, these results shed light on the intrinsic limitation of gradient descent, while identifying arguably the simplest setting (a single neuron) where there is a separation between SQ and CSQ algorithms.
Authors: Christopher Bl\"ocker, Martin Rosvall, Ingo Scholtes, Jevin D. West
Abstract: Deep graph learning focuses on flexible and generalizable models that learn patterns in an automated fashion. Network science focuses on models and measures revealing the organizational principles of complex systems with explicit assumptions. Both fields share the same goal: to better model and understand patterns in graph-structured data. However, deep graph learning prioritizes empirical performance but ignores fundamental insights from network science. Our position is that deep graph learning will stall without insights from network science. In this position paper, we formulate six Calls for Action to leverage untapped insights from network science to address current issues in deep graph learning, ensuring the field continues to make progress.
Authors: Abhinav Kumar, Jaechul Roh, Ali Naseh, Marzena Karpinska, Mohit Iyyer, Amir Houmansadr, Eugene Bagdasarian
Abstract: Most flagship language models generate explicit reasoning chains, enabling inference-time scaling. However, producing these reasoning chains increases token usage (i.e., reasoning tokens), which in turn increases latency and costs. Our OverThink attack increases overhead for applications that rely on reasoning language models (RLMs) and external context by forcing them to spend substantially more reasoning tokens while still producing contextually correct answers. An adversary mounts an attack by injecting decoy reasoning problems into public content that is consumed by RLM at inference time. Because our decoys (e.g., Markov decision processes, Sudokus, etc.) are benign, they evade safety filters. We evaluate OverThink on both closed-source and open-source reasoning models across the FreshQA, SQuAD, and MuSR datasets. We also explore the attack in multi-modal settings by creating images that cause excessive reasoning. We show that the resulting slowdown transfers across models. Finally, we explore both LLM-based and systems-level defenses, and discuss the societal, financial, and energy implications of the OverThink attacks.
Authors: Xiao Li, Zekai Zhang, Xiang Li, Siyi Chen, Zhihui Zhu, Peng Wang, Qing Qu
Abstract: Diffusion models, though originally designed for generative tasks, have demonstrated impressive self-supervised representation learning capabilities. A particularly intriguing phenomenon in these models is the emergence of unimodal representation dynamics, where the quality of learned features peaks at an intermediate noise level. In this work, we conduct a comprehensive theoretical and empirical investigation of this phenomenon. Leveraging the inherent low-dimensionality structure of image data, we theoretically demonstrate that the unimodal dynamic emerges when the diffusion model successfully captures the underlying data distribution. The unimodality arises from an interplay between denoising strength and class confidence across noise scales. Empirically, we further show that, in classification tasks, the presence of unimodal dynamics reliably reflects the generalization of the diffusion model: it emerges when the model generates novel images and gradually transitions to a monotonically decreasing curve as the model begins to memorize the training data.
Authors: Pranav Vaidhyanathan, Aristotelis Papatheodorou, Mark T. Mitchison, Natalia Ares, Ioannis Havoutis
Abstract: Scalable and generalizable physics-aware deep learning has long been considered a significant challenge with various applications across diverse domains ranging from robotics to molecular dynamics. Central to almost all physical systems are symplectic forms, the geometric backbone that underpins fundamental invariants like energy and momentum. In this work, we introduce a novel deep learning framework, MetaSym. In particular, MetaSym combines a strong symplectic inductive bias obtained from a symplectic encoder, and an autoregressive decoder with meta-attention. This principled design ensures that core physical invariants remain intact, while allowing flexible, data efficient adaptation to system heterogeneities. We benchmark MetaSym with highly varied and realistic datasets, such as a high-dimensional spring-mesh system Otness et al. (2021), an open quantum system with dissipation and measurement backaction, and robotics-inspired quadrotor dynamics. Crucially, we fine-tune and deploy MetaSym on real-world quadrotor data, demonstrating robustness to sensor noise and real-world uncertainty. Across all tasks, MetaSym achieves superior few-shot adaptation and outperforms larger state-of-the-art (SOTA) models.
Authors: Martin V\'yboh, Zuzana Chladn\'a, Gabriela Grmanov\'a, M\'aria Luck\'a
Abstract: Efficiently representing supply and demand curves is vital for energy market analysis and downstream modelling; however, dimensionality reduction often produces reconstructions that violate fundamental economic principles such as monotonicity. This paper evaluates the performance of PCA, Kernel PCA, UMAP, and AutoEncoder across 2d and 3d latent spaces. During preprocessing, we transform the original data to achieve a unified structure, mitigate outlier effects, and focus on critical curve segments. To ensure theoretical validity, we integrate Isotonic Regression as an optional post-processing step to enforce monotonic constraints on reconstructed outputs. Results from a three-year hourly MIBEL dataset demonstrate that the non-linear technique UMAP consistently outperforms other methods, securing the top rank across multiple error metrics. Furthermore, Isotonic Regression serves as a crucial corrective layer, significantly reducing error and restoring physical validity for several methods. We argue that UMAP`s local structure preservation, combined with intelligent post-processing, provides a robust foundation for downstream tasks such as forecasting, classification, and clustering.
Authors: Laura Balzano, Tianjiao Ding, Benjamin D. Haeffele, Soo Min Kwon, Qing Qu, Peng Wang, Zhangyang Wang, Can Yaras
Abstract: The substantial computational demands of modern large-scale deep learning present significant challenges for efficient training and deployment. Recent research has revealed a widespread phenomenon wherein deep networks inherently learn low-rank structures in their weights and representations during training. This tutorial paper provides a comprehensive review of advances in identifying and exploiting these low-rank structures, bridging mathematical foundations with practical applications. We present two complementary theoretical perspectives on the emergence of low-rankness: viewing it through the optimization dynamics of gradient descent throughout training, and understanding it as a result of implicit regularization effects at convergence. Practically, these theoretical perspectives provide a foundation for understanding the success of techniques such as Low-Rank Adaptation (LoRA) in fine-tuning, inspire new parameter-efficient low-rank training strategies, and explain the effectiveness of masked training approaches like dropout and masked self-supervised learning.
Authors: Xiangxiang Chu, Hailang Huang, Xiao Zhang, Fei Wei, Yong Wang
Abstract: Reinforcement Learning (RL) can directly enhance the reasoning capabilities of large language models without extensive reliance on Supervised Fine-Tuning (SFT). In this work, we revisit the traditional Policy Gradient (PG) mechanism and propose a minimalist RL approach termed Group Policy Gradient (GPG). Unlike conventional methods, GPG directly optimize the original RL objective, thus obviating the need for surrogate loss functions. By eliminating the critic and reference models, avoiding KL divergence constraints, and addressing the advantage and gradient estimation bias, our approach significantly simplifies the training process compared to Group Relative Policy Optimization (GRPO). Our approach achieves superior performance without relying on auxiliary techniques or adjustments. As illustrated in Figure 1, extensive experiments demonstrate that our method not only reduces computational costs but also consistently outperforms GRPO across various unimodal and multimodal tasks. Our code is available at https://github.com/AMAP-ML/GPG.
Authors: Ren-Wei Liang, Chin-Ting Hsu, Chan-Hung Yu, Saransh Agrawal, Shih-Cheng Huang, Shang-Tse Chen, Kuan-Hao Huang, Shao-Hua Sun
Abstract: Ensuring that large language models (LLMs) are both helpful and harmless is a critical challenge, as overly strict constraints can lead to excessive refusals, while permissive models risk generating harmful content. Existing approaches, such as reinforcement learning from human feedback (RLHF) and direct preference optimization (DPO), attempt to balance these trade-offs but suffer from performance conflicts, limited controllability, and poor extendability. To address these issues, we propose Preference Vector, a novel framework inspired by task arithmetic. Instead of optimizing multiple preferences within a single objective, we train separate models on individual preferences, extract behavior shifts as preference vectors, and dynamically merge them at test time. This modular approach enables fine-grained, user-controllable preference adjustments and facilitates seamless integration of new preferences without retraining. Experiments show that our proposed Preference Vector framework improves helpfulness without excessive conservatism, allows smooth control over preference trade-offs, and supports scalable multi-preference alignment.
Authors: Liu Ziyin, Yizhou Xu, Isaac Chuang
Abstract: With the rapid discovery of emergent phenomena in deep learning and large language models, understanding their cause has become an urgent need. Here, we propose a rigorous entropic-force theory for understanding the learning dynamics of neural networks trained with stochastic gradient descent (SGD) and its variants. Building on the theory of parameter symmetries and an entropic loss landscape, we show that representation learning is crucially governed by emergent entropic forces arising from stochasticity and discrete-time updates. These forces systematically break continuous parameter symmetries and preserve discrete ones, leading to a series of gradient balance phenomena that resemble the equipartition property of thermal systems. These phenomena, in turn, (a) explain the universal alignment of neural representations between AI models and lead to a proof of the Platonic Representation Hypothesis, and (b) reconcile the seemingly contradictory observations of sharpness- and flatness-seeking behavior of deep learning optimization. Our theory and experiments demonstrate that a combination of entropic forces and symmetry breaking is key to understanding emergent phenomena in deep learning.
Authors: James Rowbottom, Stefania Fresca, Pietro Lio, Carola-Bibiane Sch\"onlieb, Nicolas Boull\'e
Abstract: Operator learning is a rapidly growing field that aims to approximate nonlinear operators related to partial differential equations (PDEs) using neural operators. These rely on discretization of input and output functions and are, usually, expensive to train for large-scale problems at high-resolution. Motivated by this, we present a Multi-Level Monte Carlo (MLMC) approach to train neural operators by leveraging a hierarchy of resolutions of function discretization. Our framework relies on using gradient corrections from fewer samples of fine-resolution data to decrease the computational cost of training while maintaining a high level accuracy. The proposed MLMC training procedure can be applied to any architecture accepting multi-resolution data. Our numerical experiments on a range of state-of-the-art models and test-cases demonstrate improved computational efficiency compared to traditional single-resolution training approaches, and highlight the existence of a Pareto curve between accuracy and computational time, related to the number of samples per resolution.
Authors: Ji Qi, Tam Thuc Do, Mingxiao Liu, Zhuoshi Pan, Yuzhe Li, Gene Cheung, H. Vicky Zhao
Abstract: Unlike conventional "black-box" transformers with classical self-attention mechanism, we build a lightweight and interpretable transformer-like neural net by unrolling a mixed-graph-based optimization algorithm to forecast traffic with spatial and temporal dimensions. We construct two graphs: an undirected graph $\mathcal{G}^u$ capturing spatial correlations across geography, and a directed graph $\mathcal{G}^d$ capturing sequential relationships over time. We predict future samples of signal $\mathbf{x}$, assuming it is "smooth" with respect to both $\mathcal{G}^u$ and $\mathcal{G}^d$, where we design new $\ell_2$ and $\ell_1$-norm variational terms to quantify and promote signal smoothness (low-frequency reconstruction) on a directed graph. We design an iterative algorithm based on alternating direction method of multipliers (ADMM), and unroll it into a feed-forward network for data-driven parameter learning. We periodically insert graph learning modules for $\mathcal{G}^u$ and $\mathcal{G}^d$ that play the role of self-attention. Experiments show that our unrolled networks achieve competitive traffic forecast performance as state-of-the-art prediction schemes, while reducing parameter counts drastically.
Authors: Stephen Zhang, Suryanarayana Maddu, Xiaojie Qiu, Victor Chard\`es
Abstract: Time-resolved single-cell omics data offers high-throughput, genome-wide measurements of cellular states, which are instrumental to reverse-engineer the processes underpinning cell fate. Such technologies are inherently destructive, allowing only cross-sectional measurements of the underlying stochastic dynamical system. Furthermore, cells may divide or die in addition to changing their molecular state. Collectively these present a major challenge to inferring realistic biophysical models. We present a novel approach, unbalanced probability flow inference, that addresses this challenge for biological processes modelled as stochastic dynamics with growth. By leveraging a Lagrangian formulation of the Fokker-Planck equation, our method accurately disentangles drift from intrinsic noise and growth. We showcase the applicability of our approach through evaluation on a range of simulated and real single-cell RNA-seq datasets. Comparing to several existing methods, we find our method achieves higher accuracy while enjoying a simple two-step training scheme.
Authors: Yizhuo Chen, Tianchen Wang, You Lyu, Yanlan Hu, Jinyang Li, Tomoyoshi Kimura, Hongjue Zhao, Yigong Hu, Denizhan Kara, Tarek Abdelzaher
Abstract: We present SPAR, a framework for self-supervised placement-aware representation learning in distributed sensing. Distributed sensing spans applications where multiple spatially distributed and multimodal sensors jointly observe an environment, from vehicle monitoring to human activity recognition and earthquake localization. A central challenge shared by this wide spectrum of applications is that observed signals are inseparably shaped by sensor placements, including their spatial locations and structural characteristics. However, existing pretraining methods remain largely placement-agnostic. SPAR addresses this gap through a unifying principle: the duality between signals and positions. Guided by this principle, SPAR introduces spatial and structural positional embeddings together with dual reconstruction objectives, explicitly modeling how observing positions and observed signals shape each other. Placement is thus treated not as auxiliary metadata but as intrinsic to representation learning. SPAR is theoretically supported by analyses from information theory and occlusion-invariant learning. Extensive experiments on three real-world datasets show that SPAR achieves superior robustness and generalization across various modalities, placements, and downstream tasks.
Authors: Stefan Schoepf, Michael Curtis Mozer, Nicole Elyse Mitchell, Alexandra Brintrup, Georgios Kaissis, Peter Kairouz, Eleni Triantafillou
Abstract: Machine unlearning is studied for a multitude of tasks, but specialization of unlearning methods to particular tasks has made their systematic comparison challenging. To address this issue, we propose a conceptual space to characterize diverse corrupted data unlearning tasks in vision classifiers. This space is described by two dimensions, the discovery rate (the fraction of the corrupted data that are known at unlearning time) and the statistical regularity of the corrupted data (from random exemplars to shared concepts). Methods proposed previously have been targeted at portions of this space and-we show-fail predictably outside these regions. We propose a novel method, Redirection for Erasing Memory (REM), whose key feature is that corrupted data are redirected to dedicated neurons introduced at unlearning time and then discarded or deactivated to suppress the influence of corrupted data. REM performs strongly across the space of tasks, in contrast to prior SOTA methods that fail outside the regions for which they were designed.
Authors: Sebasti\'an Jim\'enez, Mira J\"urgens, Willem Waegeman
Abstract: Identifying and disentangling sources of predictive uncertainty is essential for trustworthy supervised learning. We argue that widely used second-order methods that disentangle aleatoric and epistemic uncertainty are fundamentally incomplete. First, we show that unaccounted bias contaminates uncertainty estimates by overestimating aleatoric (data-related) uncertainty and underestimating the epistemic (model-related) counterpart, leading to incorrect uncertainty quantification. Second, we demonstrate that existing methods capture only partial contributions to the variance-driven part of epistemic uncertainty; different approaches account for different variance sources, yielding estimates that are incomplete and difficult to interpret. Together, these results highlight that current epistemic uncertainty estimates can only be used in safety-critical and high-stakes decision-making when limitations are fully understood by end users and acknowledged by AI developers.
Authors: Marco Pacini, Gabriele Santin, Bruno Lepri, Shubhendu Trivedi
Abstract: Equivariant neural networks provide a principled framework for incorporating symmetry into learning architectures and have been extensively analyzed through the lens of their separation power, that is, the ability to distinguish inputs modulo symmetry. This notion plays a central role in settings such as graph learning, where it is often formalized via the Weisfeiler-Leman hierarchy. In contrast, the universality of equivariant models-their capacity to approximate target functions-remains comparatively underexplored. In this work, we investigate the approximation power of equivariant neural networks beyond separation constraints. We show that separation power does not fully capture expressivity: models with identical separation power may differ in their approximation ability. To demonstrate this, we characterize the universality classes of shallow invariant networks, providing a general framework for understanding which functions these architectures can approximate. Since equivariant models reduce to invariant ones under projection, this analysis yields sufficient conditions under which shallow equivariant networks fail to be universal. Conversely, we identify settings where shallow models do achieve separation-constrained universality. These positive results, however, depend critically on structural properties of the symmetry group, such as the existence of adequate normal subgroups, which may not hold in important cases like permutation symmetry.
Authors: Jesse Geerts, Andrew Liu, Stephanie Chan, Claudia Clopath, Kimberly Stachenfeld
Abstract: Transformer-based models have demonstrated remarkable reasoning abilities, but the mechanisms underlying relational reasoning remain poorly understood. We investigate how transformers perform \textit{transitive inference}, a classic relational reasoning task which requires inference indirectly related items (e.g., if $A>B$ and $B>C$, then $A>C$), comparing in-weights learning (IWL) and in-context learning (ICL) strategies. We find that IWL naturally induces a generalization bias towards transitive inference despite training only on adjacent items, whereas ICL models develop induction circuits implementing match-and-copy strategies that fail to encode hierarchical relationships. However, when pre-trained on in-context linear regression tasks, transformers successfully exhibit in-context generalizable transitive inference, displaying both \textit{symbolic distance} and \textit{terminal item effects} characteristic of human and animal performance, without forming induction circuits. We extend these findings to large language models, demonstrating that prompting with linear geometric scaffolds improves transitive inference, while circular geometries (which violate transitivity by allowing wraparound) impair performance, particularly when models cannot rely on stored knowledge. Together, these results reveal that both the training regime and the geometric structure of induced representations critically determine transformers' capacity for transitive inference.
Authors: Luca Ghafourpour, Valentin Duruisseaux, Bahareh Tolooshams, Philip H. Wong, Costas A. Anastassiou, Anima Anandkumar
Abstract: Characterizing the cellular properties of neurons is fundamental to understanding their function in the brain. In this quest, the generation of bio-realistic models is central towards integrating multimodal cellular data sets and establishing causal relationships. However, current modeling approaches remain constrained by the limited availability and intrinsic variability of experimental neuronal data. The deterministic formalism of bio-realistic models currently precludes accounting for the natural variability observed experimentally. While deep learning is becoming increasingly relevant in this space, it fails to capture the full biophysical complexity of neurons, their nonlinear voltage dynamics, and variability. To address these shortcomings, we introduce NOBLE, a neural operator framework that learns a mapping from a continuous frequency-modulated embedding of interpretable neuron features to the somatic voltage response induced by current injection. Trained on synthetic data generated from bio-realistic neuron models, NOBLE predicts distributions of neural dynamics accounting for the intrinsic experimental variability. Unlike conventional bio-realistic neuron models, interpolating within the embedding space offers models whose dynamics are consistent with experimentally observed responses. NOBLE enables the efficient generation of synthetic neurons that closely resemble experimental data and exhibit trial-to-trial variability, offering a $4200\times$ speedup over the numerical solver. NOBLE is the first scaled-up deep learning framework that validates its generalization with real experimental data. To this end, NOBLE captures fundamental neural properties in a unique and emergent manner that opens the door to a better understanding of cellular composition and computations, neuromorphic architectures, large-scale brain circuits, and general neuroAI applications.
Authors: Yinan Huang, Haoteng Yin, Eli Chien, Rongzhe Wei, Pan Li
Abstract: Learning with relational and network-structured data is increasingly vital in sensitive domains where protecting the privacy of individual entities is paramount. Differential Privacy (DP) offers a principled approach for quantifying privacy risks, with DP-SGD emerging as a standard mechanism for private model training. However, directly applying DP-SGD to relational learning is challenging due to two key factors: (i) entities often participate in multiple relations, resulting in high and difficult-to-control sensitivity; and (ii) relational learning typically involves multi-stage, potentially coupled (interdependent) sampling procedures that make standard privacy amplification analyses inapplicable. This work presents a principled framework for relational learning with formal entity-level DP guarantees. We provide a rigorous sensitivity analysis and introduce an adaptive gradient clipping scheme that modulates clipping thresholds based on entity occurrence frequency. We also extend the privacy amplification results to a tractable subclass of coupled sampling, where the dependence arises only through sample sizes. These contributions lead to a tailored DP-SGD variant for relational data with provable privacy guarantees. Experiments on fine-tuning text encoders over text-attributed network-structured relational data demonstrate the strong utility-privacy trade-offs of our approach. Our code is available at https://github.com/Graph-COM/Node_DP.
Authors: Haoran Tang, Rajiv Khanna
Abstract: We characterize the effectiveness of Sharpness-aware minimization (SAM) under machine unlearning scheme, where unlearning forget signals interferes with learning retain signals. While previous work prove that SAM improves generalization with noise memorization prevention, we show that SAM abandons such denoising property when fitting the forget set, leading to altered generalization depending on signal strength. We further characterize the signal surplus of SAM in the order of signal strength, which enables learning from less retain signals to maintain model performance and putting more weight on unlearning the forget set. Empirical studies show that SAM outperforms SGD with relaxed requirement for retain signals and can enhance various unlearning methods either as pretrain or unlearn algorithm. Motivated by our refined characterization of SAM unlearning and observing that overfitting can benefit more stringent sample-specific unlearning, we propose Sharp MinMax, which splits the model into two to learn retain signals with SAM and unlearn forget signals with sharpness maximization, achieving best performance. Extensive experiments show that SAM enhances unlearning across varying difficulties measured by memorization, yielding decreased feature entanglement between retain and forget sets, stronger resistance to membership inference attacks, and a flatter loss landscape. Our observations generalize to more noised data, different optimizers, and different architectures.
Authors: Lukas Bahr, Lucas Po{\ss}ner, Konstantin Weise, Sophie Gr\"oger, R\"udiger Daub
Abstract: Integrating advanced communication protocols in production has accelerated the adoption of data-driven predictive quality methods, notably machine learning (ML) models. However, ML models in image classification often face significant uncertainties arising from model, data, and domain shifts. These uncertainties lead to overconfidence in the classification model's output. To better understand these models, sensitivity analysis can help to analyze the relative influence of input parameters on the output. This work investigates the sensitivity of image classification models used for predictive quality. We propose modeling the distributional domain shifts of inputs with random variables and quantifying their impact on the model's outputs using Sobol indices computed via generalized polynomial chaos (GPC). This approach is validated through a case study involving a welding defect classification problem, utilizing a fine-tuned ResNet18 model and an emblem classification model used in BMW Group production facilities.
Authors: Ziyue Li, Chenrui Fan, Tianyi Zhou
Abstract: This paper presents the first study of grokking in practical LLM pretraining. Specifically, we investigate when an LLM memorizes the training data, when its generalization on downstream tasks starts to improve, and what happens if there is a lag between the two. Unlike existing works studying when a small model generalizes to limited and specified tasks during thousands epochs' training on algorithmic data, we focus on a practical setting for LLMs, i.e., one-epoch pretraining of next-token prediction on a cross-domain, large-scale corpus, and generalization on diverse benchmark tasks covering math/commonsense reasoning, code generation, and domain-specific retrieval. Our study, for the first time, verifies that grokking still emerges in pretraining mixture-of-experts (MoE) LLMs, though different local data groups may enter their grokking stages asynchronously due to the heterogeneity of their distributions and attributions to others. To find a mechanistic interpretation of this local grokking, we investigate the dynamics of training data's pathways (i.e., expert choices across layers in MoE). Our primary discovery is that the pathways evolve from random, non-smooth across layers, instance-specific to more structured and transferable across samples, despite the converged pretraining loss. This depicts a transition from memorization to generalization. Two novel metrics are developed to quantify these patterns: one computes the pathway similarity between samples, while the other measures the consistency of aggregated experts between subsequent layers for each sample. These training data based metrics induce zero cost but can faithfully track and monitor the generalization of LLMs on downstream tasks, which, in conventional settings, requires costly instruction tuning and benchmark evaluation.
Authors: Julien Nicolas, Mohamed Maouche, Sonia Ben Mokhtar, Mark Coates
Abstract: Stochastic gradients for deep neural networks exhibit strong correlations along the optimization trajectory, and are often aligned with a small set of Hessian eigenvectors associated with outlier eigenvalues. Recent work shows that projecting gradients away from this Hessian outlier subspace has little impact on optimization, despite capturing a large fraction of gradient variability. Since computing the Hessian is intractable in practice, we introduce a principled first-order characterization of the nuisance subspace based on the covariance of stochastic gradients, and propose an efficient method to estimate it online. We show that removing this subspace also has little impact on optimization, and yields practical benefits for applications sensitive to gradient signal-to-noise ratio such as gradient compression.
Authors: Maxime Burchi, Radu Timofte
Abstract: The Dreamer algorithm has recently obtained remarkable performance across diverse environment domains by training powerful agents with simulated trajectories. However, the compressed nature of its world model's latent space can result in the loss of crucial information, negatively affecting the agent's performance. Recent approaches, such as $\Delta$-IRIS and DIAMOND, address this limitation by training more accurate world models. However, these methods require training agents directly from pixels, which reduces training efficiency and prevents the agent from benefiting from the inner representations learned by the world model. In this work, we propose an alternative approach to world modeling that is both accurate and efficient. We introduce EMERALD (Efficient MaskEd latent tRAnsformer worLD model), a world model using a spatial latent state with MaskGIT predictions to generate accurate trajectories in latent space and improve the agent performance. On the Crafter benchmark, EMERALD achieves new state-of-the-art performance, becoming the first method to surpass human experts performance within 10M environment steps. Our method also succeeds to unlock all 22 Crafter achievements at least once during evaluation.
Authors: Kimi Team, Yifan Bai, Yiping Bao, Y. Charles, Cheng Chen, Guanduo Chen, Haiting Chen, Huarong Chen, Jiahao Chen, Ningxin Chen, Ruijue Chen, Yanru Chen, Yuankun Chen, Yutian Chen, Zhuofu Chen, Jialei Cui, Hao Ding, Mengnan Dong, Angang Du, Chenzhuang Du, Dikang Du, Yulun Du, Yu Fan, Yichen Feng, Kelin Fu, Bofei Gao, Chenxiao Gao, Hongcheng Gao, Peizhong Gao, Tong Gao, Yuyao Ge, Shangyi Geng, Qizheng Gu, Xinran Gu, Longyu Guan, Haiqing Guo, Jianhang Guo, Xiaoru Hao, Tianhong He, Weiran He, Wenyang He, Yunjia He, Chao Hong, Hao Hu, Yangyang Hu, Zhenxing Hu, Weixiao Huang, Zhiqi Huang, Zihao Huang, Tao Jiang, Zhejun Jiang, Xinyi Jin, Yongsheng Kang, Guokun Lai, Cheng Li, Fang Li, Haoyang Li, Ming Li, Wentao Li, Yang Li, Yanhao Li, Yiwei Li, Zhaowei Li, Zheming Li, Hongzhan Lin, Xiaohan Lin, Zongyu Lin, Chengyin Liu, Chenyu Liu, Hongzhang Liu, Jingyuan Liu, Junqi Liu, Liang Liu, Shaowei Liu, T. Y. Liu, Tianwei Liu, Weizhou Liu, Yangyang Liu, Yibo Liu, Yiping Liu, Yue Liu, Zhengying Liu, Enzhe Lu, Haoyu Lu, Lijun Lu, Yashuo Luo, Shengling Ma, Xinyu Ma, Yingwei Ma, Shaoguang Mao, Jie Mei, Xin Men, Yibo Miao, Siyuan Pan, Yebo Peng, Ruoyu Qin, Zeyu Qin, Bowen Qu, Zeyu Shang, Lidong Shi, Shengyuan Shi, Feifan Song, Jianlin Su, Zhengyuan Su, Lin Sui, Xinjie Sun, Flood Sung, Yunpeng Tai, Heyi Tang, Jiawen Tao, Qifeng Teng, Chaoran Tian, Chensi Wang, Dinglu Wang, Feng Wang, Hailong Wang, Haiming Wang, Jianzhou Wang, Jiaxing Wang, Jinhong Wang, Shengjie Wang, Shuyi Wang, Si Wang, Xinyuan Wang, Yao Wang, Yejie Wang, Yiqin Wang, Yuxin Wang, Yuzhi Wang, Zhaoji Wang, Zhengtao Wang, Zhengtao Wang, Zhexu Wang, Chu Wei, Qianqian Wei, Haoning Wu, Wenhao Wu, Xingzhe Wu, Yuxin Wu, Chenjun Xiao, Jin Xie, Xiaotong Xie, Weimin Xiong, Boyu Xu, Jinjing Xu, L. H. Xu, Lin Xu, Suting Xu, Weixin Xu, Xinran Xu, Yangchuan Xu, Ziyao Xu, Jing Xu, Jing Xu, Junjie Yan, Yuzi Yan, Hao Yang, Xiaofei Yang, Yi Yang, Ying Yang, Zhen Yang, Zhilin Yang, Zonghan Yang, Haotian Yao, Xingcheng Yao, Wenjie Ye, Zhuorui Ye, Bohong Yin, Longhui Yu, Enming Yuan, Hongbang Yuan, Mengjie Yuan, Siyu Yuan, Haobing Zhan, Dehao Zhang, Hao Zhang, Wanlu Zhang, Xiaobin Zhang, Yadong Zhang, Yangkun Zhang, Yichi Zhang, Yizhi Zhang, Yongting Zhang, Yu Zhang, Yutao Zhang, Yutong Zhang, Zheng Zhang, Haotian Zhao, Yikai Zhao, Zijia Zhao, Huabin Zheng, Shaojie Zheng, Longguang Zhong, Jianren Zhou, Xinyu Zhou, Zaida Zhou, Jinguo Zhu, Zhen Zhu, Weiyu Zhuang, Xinxing Zu
Abstract: We introduce Kimi K2, a Mixture-of-Experts (MoE) large language model with 32 billion activated parameters and 1 trillion total parameters. We propose the MuonClip optimizer, which improves upon Muon with a novel QK-clip technique to address training instability while enjoying the advanced token efficiency of Muon. Based on MuonClip, K2 was pre-trained on 15.5 trillion tokens with zero loss spike. During post-training, K2 undergoes a multi-stage post-training process, highlighted by a large-scale agentic data synthesis pipeline and a joint reinforcement learning (RL) stage, where the model improves its capabilities through interactions with real and synthetic environments. Kimi K2 achieves state-of-the-art performance among open-source non-thinking models, with strengths in agentic capabilities. Notably, K2 obtains 66.1 on Tau2-Bench, 76.5 on ACEBench (En), 65.8 on SWE-Bench Verified, and 47.3 on SWE-Bench Multilingual -- surpassing most open and closed-sourced baselines in non-thinking settings. It also exhibits strong capabilities in coding, mathematics, and reasoning tasks, with a score of 53.7 on LiveCodeBench v6, 49.5 on AIME 2025, 75.1 on GPQA-Diamond, and 27.1 on OJBench, all without extended thinking. These results position Kimi K2 as one of the most capable open-source large language models to date, particularly in software engineering and agentic tasks. We release our base and post-trained model checkpoints to facilitate future research and applications of agentic intelligence.
Authors: Xin Ding, Yun Chen, Yongwei Wang, Kao Zhang, Sen Zhang, Peibei Cao, Xiangxue Wang
Abstract: Recent advances in conditional generative modeling have introduced Continuous conditional Generative Adversarial Network (CcGAN) and Continuous Conditional Diffusion Model (CCDM) for estimating high-dimensional data distributions conditioned on scalar, continuous regression labels (e.g., angles, ages, or temperatures). However, these approaches face fundamental limitations: CcGAN suffers from data imbalance due to fixed-size vicinity constraints, while CCDM requires computationally expensive iterative sampling. To address these issues, we propose CcGAN-AVAR, an enhanced CcGAN framework featuring (1) two novel components for handling data imbalance - an adaptive vicinity mechanism that dynamically adjusts vicinity size and a multi-task discriminator that enhances generator training through auxiliary regression and density ratio estimation - and (2) the GAN framework's native one-step generator, enable 30x-2000x faster inference than CCDM. Extensive experiments on four benchmark datasets (64x64 to 256x256 resolution) across eleven challenging settings demonstrate that CcGAN-AVAR achieves state-of-the-art generation quality while maintaining sampling efficiency.
Authors: Zhicheng Yang, Zhijiang Guo, Yinya Huang, Yongxin Wang, Dongchun Xie, Hanhui Li, Yiwei Wang, Xiaodan Liang, Jing Tang
Abstract: Reinforcement Learning with Verifiable Reward (RLVR) has emerged as a powerful paradigm for unlocking reasoning capabilities in large language models, yet its full potential is hindered by two under-explored dimensions: Depth-the hardest problem a model can sample; Breadth-the number of instances consumed in a single iteration. We dissect the popular GRPO algorithm and reveal a systematic bias: the cumulative-advantage disproportionately weights samples with medium accuracy, while down-weighting the low-accuracy instances that are crucial for pushing reasoning boundaries. To rectify the depth neglect, we introduce Difficulty Adaptive Rollout Sampling (DARS), which re-weights hard problems through targeted multi-stage rollouts, thereby increasing the number of positive rollouts for hard problems. Empirically, naively enlarging rollout size only accelerates convergence and even hurts Pass@K. Our DARS, in contrast, delivers consistent Pass@K gains without extra inference cost at convergence. Just as we adaptively expanded the depth of exploration, we now ask whether aggressively scaling the breadth of training data can further amplify reasoning gains. To this end, we intensely scale batch size and replace PPO's mini-batch iterations with full-batch updates over multiple epochs. Increasing breadth significantly enhances Pass@1 performance. Large-breadth training sustains high token-level entropy, indicating continued exploration and reduced gradient noise. We further present DARS-B, which augments DARS with large breadth, and demonstrate simultaneous gains in Pass@K and Pass@1. The results confirm that breadth and adaptive exploration across depth operate as orthogonal dimensions in RLVR, which are key to unleashing the reasoning power of RLVR.
Authors: N\'icolas Roque dos Santos, Dawon Ahn, Diego Minatel, Alneu de Andrade Lopes, Evangelos E. Papalexakis
Abstract: Graph Neural Networks (GNNs) have demonstrated remarkable results in various real-world applications, including drug discovery, object detection, social media analysis, recommender systems, and text classification. In contrast to their vast potential, training them on large-scale graphs presents significant computational challenges due to the resources required for their storage and processing. Graph Condensation has emerged as a promising solution to reduce these demands by learning a synthetic compact graph that preserves the essential information of the original one while maintaining the GNN's predictive performance. Despite their efficacy, current graph condensation approaches frequently rely on a computationally intensive bi-level optimization. Moreover, they fail to maintain a mapping between synthetic and original nodes, limiting the interpretability of the model's decisions. In this sense, a wide range of decomposition techniques have been applied to learn linear or multi-linear functions from graph data, offering a more transparent and less resource-intensive alternative. However, their applicability to graph condensation remains unexplored. This paper addresses this gap and proposes a novel method called Multi-view Graph Condensation via Tensor Decomposition (GCTD) to investigate to what extent such techniques can synthesize an informative smaller graph and achieve comparable downstream task performance. Extensive experiments on six real-world datasets demonstrate that GCTD effectively reduces graph size while preserving GNN performance, achieving up to a 4.0\ improvement in accuracy on three out of six datasets and competitive performance on large graphs compared to existing approaches. Our code is available at https://anonymous.4open.science/r/gctd-345A.
Authors: Jiajun Li, Yixuan Li, Ran Hou, Yu Ding, Shisi Guan, Jiahui Duan, Xiongwei Han, Tao Zhong, Vincent Chau, Weiwei Wu, Wanyuan Wang
Abstract: Model reduction, which aims to learn a simpler model of the original mixed integer linear programming (MILP), can solve large-scale MILP problems much faster. Most existing model reduction methods are based on variable reduction, which predicts a solution value for a subset of variables. From a dual perspective, constraint reduction that transforms a subset of inequality constraints into equalities can also reduce the complexity of MILP, but has been largely ignored. Therefore, this paper proposes a novel constraint-based model reduction approach for the MILP. Constraint-based MILP reduction has two challenges: 1) which inequality constraints are critical such that reducing them can accelerate MILP solving while preserving feasibility, and 2) how to predict these critical constraints efficiently. To identify critical constraints, we first label these tight-constraints at the optimal solution as potential critical constraints and design a heuristic rule to select a subset of critical tight-constraints. To learn the critical tight-constraints, we propose a multi-modal representation technique that leverages information from both instance-level and abstract-level MILP formulations. The experimental results show that, compared to the state-of-the-art methods, our method improves the quality of the solution by over 50\% and reduces the computation time by 17.47\%.
Authors: Gang Wu, Zhengwei Wang
Abstract: Graph Transformers (GTs) show considerable potential in graph representation learning. The architecture of GTs typically integrates Graph Neural Networks (GNNs) with global attention mechanisms either in parallel or as a precursor to attention mechanisms, yielding a local-and-global or local-to-global attention scheme. However, as the global attention mechanism primarily captures long-range dependencies between nodes, these integration schemes may suffer from information loss, where the local neighborhood information learned by GNN could be diluted by the attention mechanism. Therefore, we propose G2LFormer, featuring a novel global-to-local attention scheme where the shallow network layers use attention mechanisms to capture global information, while the deeper layers employ GNN modules to learn local structural information, thereby preventing nodes from ignoring their immediate neighbors. An effective cross-layer information fusion strategy is introduced to allow local layers to retain beneficial information from global layers and alleviate information loss, with acceptable trade-offs in scalability. To validate the feasibility of the global-to-local attention scheme, we compare G2LFormer with state-of-the-art linear GTs and GNNs on node-level and graph-level tasks. The results indicate that G2LFormer exhibits excellent performance while keeping linear complexity.
Authors: Natalie Collina, Surbhi Goel, Aaron Roth, Emily Ryu, Mirah Shi
Abstract: Aligning AI systems with human values remains a fundamental challenge, but does our inability to create perfectly aligned models preclude obtaining the benefits of alignment? We study a strategic setting where a human user interacts with multiple differently misaligned AI agents, none of which are individually well-aligned. Our key insight is that when the users utility lies approximately within the convex hull of the agents utilities, a condition that becomes easier to satisfy as model diversity increases, strategic competition can yield outcomes comparable to interacting with a perfectly aligned model. We model this as a multi-leader Stackelberg game, extending Bayesian persuasion to multi-round conversations between differently informed parties, and prove three results: (1) when perfect alignment would allow the user to learn her Bayes-optimal action, she can also do so in all equilibria under the convex hull condition (2) under weaker assumptions requiring only approximate utility learning, a non-strategic user employing quantal response achieves near-optimal utility in all equilibria and (3) when the user selects the best single AI after an evaluation period, equilibrium guarantees remain near-optimal without further distributional assumptions. We complement the theory with two sets of experiments.
Authors: Micah Adler
Abstract: We study the capacity of the self-attention key-query channel: for a fixed budget, how many distinct token-token relations can a single layer reliably encode? We introduce Relational Graph Recognition, where the key-query channel encodes a directed graph and, given a context (a subset of the vertices), must recover the neighbors of each vertex in the context. We measure resources by the total key dimension $D_K = h\,d_k$. In a tractable multi-head model, we prove matching information-theoretic lower bounds and upper bounds via explicit constructions showing that recovering a graph with $m'$ relations in $d_{\text{model}}$-dimensional embeddings requires $D_K$ to grow essentially as $m'/d_{\text{model}}$ up to logarithmic factors, and we obtain corresponding guarantees for scaled-softmax attention. This analysis yields a new, capacity-based rationale for multi-head attention: even in permutation graphs, where all queries attend to a single target, splitting a fixed $D_K$ budget into multiple heads increases capacity by reducing interference from embedding superposition. Controlled experiments mirror the theory, revealing sharp phase transitions at the predicted capacity, and the multi-head advantage persists when adding softmax normalization, value routing, and a full Transformer block trained with frozen GPT-2 embeddings.
Authors: Oleksandr Shchur, Abdul Fatir Ansari, Caner Turkmen, Lorenzo Stella, Nick Erickson, Pablo Guerron, Michael Bohlke-Schneider, Yuyang Wang
Abstract: Benchmark quality is critical for meaningful evaluation and sustained progress in time series forecasting, particularly with the rise of pretrained models. Existing benchmarks often have limited domain coverage or overlook real-world settings such as tasks with covariates. Their aggregation procedures frequently lack statistical rigor, making it unclear whether observed performance differences reflect true improvements or random variation. Many benchmarks lack consistent evaluation infrastructure or are too rigid for integration into existing pipelines. To address these gaps, we propose fev-bench, a benchmark of 100 forecasting tasks across seven domains, including 46 with covariates. Supporting the benchmark, we introduce fev, a lightweight Python library for forecasting evaluation emphasizing reproducibility and integration with existing workflows. Using fev, fev-bench employs principled aggregation with bootstrapped confidence intervals to report performance along two dimensions: win rates and skill scores. We report results on fev-bench for pretrained, statistical, and baseline models and identify promising future research directions.
Authors: Shutong Wu, Jiawei Zhang
Abstract: Diffusion Large Language Models (DLLMs) have emerged as a new paradigm of language modeling beyond autoregressive next-token prediction. Taking advantage of their inherent modeling foundations, DLLMs have the great potential of efficient inference with parallel decoding algorithms, which enable multi-token prediction. However, the high generation quality often requires the number of decoding steps equal to the sequence length, which performs a one-token-per-step decoding, and existing parallel decoding algorithms, which yield suboptimal decoding paths, bring inference speedup at the cost of non-negligible performance degradation. To overcome this challenge, we introduce Free Draft-and-Verification (FreeDave), a novel fast decoding algorithm tailored for DLLMs that achieves lossless parallel decoding without any model modification or extra modules. Specifically, we propose an algorithm of parallel-decoded candidate generation and verification, which is theoretically guaranteed to use the fewest model forward calls to reproduce the same sequence generated by one-token-per-step decoding. By extensive evaluations on math reasoning and code generation benchmarks across different DLLMs, FreeDave is proven to accelerate the inference up to $2.83\times$ without performance degradation.
Authors: Weilin Xin, Chenyu Huang, Peilin Li, Jing Zhong, Jiawei Yao
Abstract: With rapid urbanization, predicting urban microclimates has become critical, as it affects building energy demand and public health risks. However, existing generative and homogeneous graph approaches fall short in capturing physical consistency, spatial dependencies, and temporal variability. To address this, we introduce UrbanGraph, a framework founded on a novel structure-based inductive bias. Unlike implicit graph learning, UrbanGraph transforms physical first principles into a dynamic causal topology, explicitly encoding time-varying causalities (e.g., shading and convection) directly into the graph structure to ensure physical consistency and data efficiency. Results show that UrbanGraph achieves state-of-the-art performance across all baselines. Specifically, the use of explicit causal pruning significantly reduces the model's floating-point operations (FLOPs) by 73.8% and increases training speed by 21% compared to implicit graphs. Our contribution includes the first high-resolution benchmark for spatio-temporal microclimate modeling, and a generalizable explicit topological encoding paradigm applicable to urban spatio-temporal dynamics governed by known physical equations.
Authors: Maxime M\'eloux, Fran\c{c}ois Portet, Maxime Peyrard
Abstract: Mechanistic Interpretability (MI) aims to reverse-engineer model behaviors by identifying functional sub-networks. Yet, the scientific validity of these findings depends on their stability. In this work, we argue that circuit discovery is not a standalone task but a statistical estimation problem built upon causal mediation analysis (CMA). We uncover a fundamental instability at this base layer: exact, single-input CMA scores exhibit high intrinsic variance, implying that the causal effect of a component is a volatile random variable rather than a fixed property. We then demonstrate that circuit discovery pipelines inherit this variance and further amplify it. Fast approximation methods, such as Edge Attribution Patching and its successors, introduce additional estimation noise, while aggregating these noisy scores over datasets leads to fragile structural estimates. Consequently, small perturbations in input data or hyperparameters yield vastly different circuits. We systematically decompose these sources of variance and advocate for more rigorous MI practices, prioritizing statistical robustness and routine reporting of stability metrics.
Authors: Xuefeng Xu, Graham Cormode
Abstract: Power transforms are popular parametric methods for making data more Gaussian-like, and are widely used as preprocessing steps in statistical analysis and machine learning. However, we find that direct implementations of power transforms suffer from severe numerical instabilities, which can lead to incorrect results or even crashes. In this paper, we provide a comprehensive analysis of the sources of these instabilities and propose effective remedies. We further extend power transforms to the federated learning setting, addressing both numerical and distributional challenges that arise in this context. Experiments on real-world datasets demonstrate that our methods are both effective and robust, substantially improving stability compared to existing approaches.
Authors: Jie Hao, Rui Yu, Wei Zhang, Huixia Wang, Jie Xu, Mingrui Liu
Abstract: Effective data selection is essential for pretraining large language models (LLMs), enhancing efficiency and improving generalization to downstream tasks. However, existing approaches often require leveraging external pretrained models, making it difficult to disentangle the effects of data selection from those of the external pretrained models. In addition, they often overlook the long-term impact of selected data if the model is trained to convergence, primarily due to the prohibitive cost of full-scale LLM pretraining. In this paper, we introduce BLISS (\textbf{B}ileve\textbf{L} \textbf{I}nfluence \textbf{S}coring method for data \textbf{S}election): a lightweight data selection method that operates entirely \emph{from scratch}, without relying on any external pretrained oracle models, while explicitly accounting for the long-term impact of selected data. BLISS leverages a small proxy model as a surrogate for the LLM and employs a score model to estimate the long-term influence of training samples if the proxy model is trained to convergence. We formulate data selection as a bilevel optimization problem, where the upper-level objective optimizes the score model to assign importance weights to training samples, ensuring that minimizing the lower-level objective (i.e., training the proxy model over the weighted training loss until convergence) leads to best validation performance. Once optimized, the trained score model predicts influence scores for the dataset, enabling efficient selection of high-quality samples for LLM pretraining. We validate BLISS by pretraining 410M/1B/2.8B Pythia and LLaMA-0.5B models on selected subsets of the C4 dataset. Notably, under the 1B model setting, BLISS achieves $1.7\times$ speedup in reaching the same performance as the state-of-the-art method, demonstrating superior performance across multiple downstream tasks.
Authors: Gilad Aviv, Jacob Goldberger, Yoli Shavit
Abstract: We introduce Mixture-of-Gaussians with Uncertainty-based Gating (MoGU), a novel Mixture-of-Experts (MoE) framework designed for regression tasks. MoGU replaces standard learned gating with an intrinsic routing paradigm where expert-specific uncertainty serves as the native gating signal. By modeling each prediction as a Gaussian distribution, the system utilizes predicted variance to dynamically weight expert contributions. We validate MoGU on multivariate time-series forecasting, a domain defined by high volatility and varying noise patterns. Empirical results across multiple benchmarks, horizon lengths, and backbones demonstrate that MoGU consistently improves forecasting accuracy compared to traditional MoE. Further evaluation via conformal prediction indicates that our approach yields more efficient prediction intervals than existing baselines. These findings highlight MoGU's capacity for providing both competitive performance and reliable, high-fidelity uncertainty quantification. Our code is available at: https://github.com/yolish/moe_unc_tsf
Authors: Rongchao Xu, Kunlin Cai, Lin Jian, Zhiqing Hong, Yuan Tian, Guang Wang
Abstract: Location-Based Social Network (LBSN) check-in trajectory data are important for many practical applications, like POI recommendation, advertising, and pandemic intervention. However, the high collection costs and ever-increasing privacy concerns prevent us from accessing large-scale LBSN trajectory data. The recent advances in synthetic data generation provide us with a new opportunity to achieve this, which utilizes generative AI to generate synthetic data that preserves the characteristics of real data while ensuring privacy protection. However, generating synthetic LBSN check-in trajectories remains challenging due to their spatially discrete, temporally irregular nature and the complex spatio-temporal patterns caused by sparse activities and uncertain human mobility. To address this challenge, we propose GeoGen, a two-stage coarse-to-fine framework for large-scale LBSN check-in trajectory generation. In the first stage, we reconstruct spatially continuous, temporally regular latent movement sequences from the original LBSN check-in trajectories and then design a Sparsity-aware Spatio-temporal Diffusion model (S$^2$TDiff) with an efficient denosing network to learn their underlying behavioral patterns. In the second stage, we design Coarse2FineNet, a Transformer-based Seq2Seq architecture equipped with a dynamic context fusion mechanism in the encoder and a multi-task hybrid-head decoder, which generates fine-grained LBSN trajectories based on coarse-grained latent movement sequences by modeling semantic relevance and behavioral uncertainty. Extensive experiments on four real-world datasets show that GeoGen excels state-of-the-art models for both fidelity and utility evaluation, e.g., it increases over 69% and 55% in distance and radius metrics on the FS-TKY dataset.
Authors: Bach C. Le, Tung V. Dao, Binh T. Nguyen, Hong T. M. Chu
Abstract: Wasserstein distributionally robust optimization (WDRO) provides a framework for adversarial robustness, yet existing methods based on global Lipschitz continuity or strong duality often yield loose upper bounds or require prohibitive computation. We address these limitations with a primal approach and adopt a notion of exact Lipschitz certificates to tighten this upper bound of WDRO. For ReLU networks, we leverage the piecewise-affine structure on activation cells to obtain an exact tractable characterization of the corresponding WDRO problem. We further extend our analysis to modern architectures with smooth activations (e.g., GELU, SiLU), such as Transformers. Additionally, we propose novel Wasserstein Distributional Attacks (WDA, WDA++) that construct candidates for the worst-case distribution. Compared to existing attacks that are restricted to point-wise perturbations, our methods offer greater flexibility in the number and location of attack points. Extensive evaluations demonstrate that our proposed framework achieves competitive robust accuracy against state-of-the-art baselines while offering tighter certificates than existing methods. Our code is available at https://github.com/OLab-Repo/WDA.
Authors: Mamoona Ghafoor, Tatsuya Akutsu
Abstract: The generation of trees with a specified tree edit distance has significant applications across various fields, including computational biology, structured data analysis, and image processing. Recently, generative networks have been increasingly employed to synthesize new data that closely resembles the original datasets. However, the appropriate size and depth of generative networks required to generate data with a specified tree edit distance remain unclear. In this paper, we theoretically establish the existence and construction of generative networks capable of producing trees similar to a given tree with respect to the tree edit distance. Specifically, for a given rooted, ordered, and vertex-labeled tree T of size n + 1 with labels from an alphabet \Sigma, and a non-negative integer d, we prove that all rooted, ordered, and vertex-labeled trees over \Sigma with tree edit distance at most d from T can be generated using a ReLU-based generative network with size O(n^3 ) and constant depth. The proposed networks were implemented and evaluated for generating trees with up to 21 nodes. Due to their deterministic architecture, the networks successfully generated all valid trees within the specified tree edit distance. In contrast, state-of-the-art graph generative models GraphRNN and GraphGDP, which rely on non-deterministic mechanisms, produced significantly fewer valid trees, achieving validation rates of only up to 35% and 48%, respectively. These findings provide a theoretical foundation towards construction of compact generative models and open new directions for exact and valid tree-structured data generation. An implementation of the proposed networks is available at https://github.com/MGANN-KU/TreeGen_ReLUNetworks.
Authors: Jie Hao, Xiaochuan Gong, Jie Xu, Zhengdao Wang, Mingrui Liu
Abstract: Geometry-aware optimization algorithms, such as Muon, have achieved remarkable success in training deep neural networks (DNNs). These methods leverage the underlying geometry of DNNs by selecting appropriate norms for different layers and updating parameters via norm-constrained linear minimization oracles (LMOs). However, even within a group of layers associated with the same norm, the local curvature can be heterogeneous across layers and vary dynamically over the course of training. For example, recent work shows that sharpness varies substantially across transformer layers and throughout training, yet standard geometry-aware optimizers impose fixed learning rates to layers within the same group, which may be inefficient for DNN training. In this paper, we introduce a noise-adaptive layerwise learning rate scheme on top of geometry-aware optimization algorithms and substantially accelerate DNN training compared to methods that use fixed learning rates within each group. Our method estimates gradient variance in the dual norm induced by the chosen LMO on the fly, and uses it to assign time-varying noise-adaptive layerwise learning rates within each group. We provide a theoretical analysis showing that our algorithm achieves a sharp convergence rate. Empirical results on transformer architectures such as LLaMA and GPT demonstrate that our approach achieves faster convergence than state-of-the-art optimizers.
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: Shiji Zhou (Institute of Artificial Intelligence, Beihang University, Beijing Advanced Innovation Center for Future Blockchain,Privacy Computing, Beihang University), Tianbai Yu (University of Illinois at Urbana-Champaign), Zhi Zhang (University of Amsterdam), Heng Chang (Tsinghua University), Xiao Zhou (Tsinghua University), Dong Wu (YanTron Technology Co. Ltd), Han Zhao (University of Illinois at Urbana-Champaign)
Abstract: Machine unlearning (MU) aims to efficiently remove sensitive or harmful memory from a pre-trained model. The key challenge is to balance the potential tradeoff between unlearning efficacy and utility preservation, which involves forgetting undesirable information as defined while maintaining the model's original performance. One potential way to tackle this problem is to use multi-objective optimization to jointly optimize both the unlearning and utility preservation objectives. However, existing multi-objective methods only guarantee finding a Pareto-optimal solution without fine-grained control, which causes under-optimization of the unlearning objective. To this end, we first model MU as a constrained optimization problem, that is, optimizing the unlearning objective under the constraint of a bounded increase for utility loss. We then show that solving this optimization problem is equivalent to unilateral gradient surgery on the unlearning objective. To resolve the additional computational cost brought by gradient surgery, we propose an implicit gradient surgery method, which approximates the solution to the aforementioned constrained optimization problem via only one backpropagation, thereby achieving efficient utility-preserving MU. Theoretically, we provide a tight convergence analysis of the algorithm. Empirically, our extensive experiments show that the proposed algorithm achieves better tradeoff results than existing baselines. Codes are available at https://github.com/anseryuer/EUPMU-Efficient-Utility-Preserving-Machine-Unlearning.
URLs: https://github.com/anseryuer/EUPMU-Efficient-Utility-Preserving-Machine-Unlearning.
Authors: Huaisheng Zhu, Zhengyu Chen, Shijie Zhou, Zhihui Xie, Yige Yuan, Shiqi Chen, Zhimeng Guo, Siyuan Xu, Hangfan Zhang, Vasant Honavar, Teng Xiao
Abstract: Recent Uniform State Diffusion Models (USDMs), initialized from a uniform prior, offer the promise of fast text generation due to their inherent self-correction ability compared to masked diffusion models. However, they still rely on complex loss formulations with additional computational overhead, which hinders scalability. In this work, we explore a simplified denoising-based loss for USDMs that optimizes only noise-replaced tokens, stabilizing training while matching the performance of prior methods with more complex objectives. In addition, we introduce an efficient regularization term to mitigate corruption toward uniform output distributions, which further improves performance. We demonstrate the effectiveness and efficiency of our simple and improved loss formulations by pretraining models on widely used text datasets for USDMs. More importantly, our conclusions scale to larger models, showing strong potential for large-scale training.
Authors: Prajit Bhaskaran, Tom Viering
Abstract: Bayesian clustering accounts for uncertainty but is computationally demanding at scale. Furthermore, real-world datasets often contain missing values, and simple imputation ignores the associated uncertainty, resulting in suboptimal results. We present Cluster-PFN, a Transformer-based model that extends Prior-Data Fitted Networks (PFNs) to unsupervised Bayesian clustering. Trained entirely on synthetic datasets generated from a finite Gaussian Mixture Model (GMM) prior, Cluster-PFN learns to estimate the posterior distribution over both the number of clusters and the cluster assignments. Our method estimates the number of clusters more accurately than handcrafted model selection procedures such as AIC, BIC and Variational Inference (VI), and achieves clustering quality competitive with VI while being orders of magnitude faster. Cluster-PFN can be trained on complex priors that include missing data, outperforming imputation-based baselines on real-world genomic datasets, at high missingness. These results show that the Cluster-PFN can provide scalable and flexible Bayesian clustering.
Authors: Lucas Buk Cardoso, Simone Aldrey Angelo, Yasmin Pacheco Gil Bonilha, Fernando Maia, Adeylson Guimar\~aes Ribeiro, Maria Paula Curado, Gisele Aparecida Fernandes, Vanderlei Cunha Parro, Fl\'avio Almeida de Magalh\~aes Cipparrone, Alexandre Dias Porto Chiavegatto Filho, Victor W\"unsch Filho, Tatiana Natasha Toporcov
Abstract: This study presents a comparative methodological analysis of six machine learning models for survival analysis (MLSA). Using data from nearly 45,000 colorectal cancer patients in the Hospital-Based Cancer Registries of S\~ao Paulo, we evaluated Random Survival Forest (RSF), Gradient Boosting for Survival Analysis (GBSA), Survival SVM (SSVM), XGBoost-Cox (XGB-Cox), XGBoost-AFT (XGB-AFT), and LightGBM (LGBM), capable of predicting survival considering censored data. Hyperparameter optimization was performed with different samplers, and model performance was assessed using the Concordance Index (C-Index), C-Index IPCW, time-dependent AUC, and Integrated Brier Score (IBS). Survival curves produced by the models were compared with predictions from classification algorithms, and predictor interpretation was conducted using SHAP and permutation importance. XGB-AFT achieved the best performance (C-Index = 0.7618; IPCW = 0.7532), followed by GBSA and RSF. The results highlight the potential and applicability of MLSA to improve survival prediction and support decision making.
Authors: Svetlana Churina, Niranjan Chebrolu, Kokil Jaidka
Abstract: We show that continual pretraining on plausible misinformation can overwrite specific factual knowledge in large language models without degrading overall performance. Unlike prior poisoning work under static pretraining, we study repeated exposure to counterfactual claims during continual updates. Using paired fact-counterfact items with graded poisoning ratios, we track how internal preferences between competing facts evolve across checkpoints, layers, and model scales. Even moderate poisoning (50-100%) flips over 55% of responses from correct to counterfactual while leaving ambiguity nearly unchanged. These belief flips emerge abruptly, concentrate in late layers (e.g., Layers 29-36 in 3B models), and are partially reversible via patching (up to 56.8%). The corrupted beliefs generalize beyond poisoned prompts, selectively degrading commonsense reasoning while leaving alignment benchmarks largely intact and transferring imperfectly across languages. These results expose a failure mode of continual pre-training in which targeted misinformation replaces internal factual representations without triggering broad performance collapse, motivating representation-level monitoring of factual integrity during model updates.
Authors: Lukas Fehring, Marcel Wever, Maximilian Splieth\"over, Leona Hennig, Henning Wachsmuth, Marius Lindauer
Abstract: Bayesian optimization (BO) is a widely used approach to hyperparameter optimization (HPO). However, most existing HPO methods only incorporate expert knowledge during initialization, limiting practitioners' ability to influence the optimization process as new insights emerge. This limits the applicability of BO in iterative machine learning development workflows. We propose DynaBO, a BO framework that enables continuous user control of the optimization process. Over time, DynaBO leverages provided user priors by augmenting the acquisition function with decaying, prior-weighted preferences while preserving asymptotic convergence guarantees. To reinforce robustness, we introduce a data-driven safeguard that detects and can be used to reject misleading priors. We prove theoretical results on near-certain convergence, robustness to adversarial priors, and accelerated convergence when informative priors are provided. Extensive experiments across various HPO benchmarks show that DynaBO consistently outperforms our state-of-the-art competitors across all benchmarks and for all prior kinds. Our results demonstrate that DynaBO enables reliable and efficient collaborative BO, bridging automated and manually controlled model development.
Authors: Sanggeon Yun, Hyunwoo Oh, Ryozo Masukawa, Mohsen Imani
Abstract: Decomposition is a proven way to shrink deep networks without changing input-output dimensionality or interface semantics. We bring this idea to hyperdimensional computing (HDC), where footprint cuts usually shrink the feature axis and erode concentration and robustness. Prior HDC decompositions decode via fixed atomic hypervectors, which are ill-suited for compressing learned class prototypes. We introduce DecoHD, which learns directly in a decomposed HDC parameterization: a small, shared set of per-layer channels with multiplicative binding across layers and bundling at the end, yielding a large representational space from compact factors. DecoHD compresses along the class axis via a lightweight bundling head while preserving native bind-bundle-score; training is end-to-end, and inference remains pure HDC, aligning with in/near-memory accelerators. In evaluation, DecoHD attains extreme memory savings with only minor accuracy degradation under tight deployment budgets. On average it stays within about 0.1-0.15% of a strong non-reduced HDC baseline (worst case 5.7%), is more robust to random bit-flip noise, reaches its accuracy plateau with up to ~97% fewer trainable parameters, and--in hardware--delivers roughly 277x/35x energy/speed gains over a CPU (AMD Ryzen 9 9950X), 13.5x/3.7x over a GPU (NVIDIA RTX 4090), and 2.0x/2.4x over a baseline HDC ASIC.
Authors: Sanggeon Yun, Hyunwoo Oh, Ryozo Masukawa, Pietro Mercati, Nathaniel D. Bastian, Mohsen Imani
Abstract: Hyperdimensional computing (HDC) suits memory, energy, and reliability-constrained systems, yet the standard "one prototype per class" design requires $O(CD)$ memory (with $C$ classes and dimensionality $D$). Prior compaction reduces $D$ (feature axis), improving storage/compute but weakening robustness. We introduce LogHD, a logarithmic class-axis reduction that replaces the $C$ per-class prototypes with $n\!\approx\!\lceil\log_k C\rceil$ bundle hypervectors (alphabet size $k$) and decodes in an $n$-dimensional activation space, cutting memory to $O(D\log_k C)$ while preserving $D$. LogHD uses a capacity-aware codebook and profile-based decoding, and composes with feature-axis sparsification. Across datasets and injected bit flips, LogHD attains competitive accuracy with smaller models and higher resilience at matched memory. Under equal memory, it sustains target accuracy at roughly $2.5$-$3.0\times$ higher bit-flip rates than feature-axis compression; an ASIC instantiation delivers $498\times$ energy efficiency and $62.6\times$ speedup over an AMD Ryzen 9 9950X and $24.3\times$/$6.58\times$ over an NVIDIA RTX 4090, and is $4.06\times$ more energy-efficient and $2.19\times$ faster than a feature-axis HDC ASIC baseline.
Authors: Vasily Ilin, Peter Sushko
Abstract: Estimating probability density and its score from samples remains a core problem in generative modeling, Bayesian inference, and kinetic theory. Existing methods are bifurcated: classical kernel density estimators (KDE) generalize across distributions but suffer from the curse of dimensionality, while modern neural score models achieve high precision but require retraining for every target distribution. We introduce DiScoFormer (Density and Score Transformer), a ``train-once, infer-anywhere" equivariant Transformer that maps i.i.d. samples to both density values and score vectors, generalizing across distributions and sample sizes. Analytically, we prove that self-attention can recover normalized KDE, establishing it as a functional generalization of kernel methods; empirically, individual attention heads learn multi-scale, kernel-like behaviors. The model converges faster and achieves higher precision than KDE for density estimation, and provides a high-fidelity plug-in score oracle for score-debiased KDE, Fisher information computation, and Fokker-Planck-type PDEs.
Authors: Chenghao Liu, Taha Aksu, Juncheng Liu, Xu Liu, Hanshu Yan, Quang Pham, Silvio Savarese, Doyen Sahoo, Caiming Xiong, Junnan Li
Abstract: We introduce Moirai 2.0, a decoder-only time-series foundation model trained on a new corpus of 36M series. The model adopts quantile forecasting and multi-token prediction, improving both probabilistic accuracy and inference efficiency. On the Gift-Eval benchmark, it ranks among the top pretrained models while achieving a strong trade-off between accuracy, speed, and model size. Compared to Moirai 1.0, Moirai 2.0 replaces masked-encoder training, multi-patch inputs, and mixture-distribution outputs with a simpler decoder-only architecture, single patch, and quantile loss. Ablation studies isolate these changes -- showing that the decoder-only backbone along with recursive multi-quantile decoding contribute most to the gains. Additional experiments show that Moirai 2.0 outperforms larger models from the same family and exhibits robust domain-level results. In terms of efficiency and model size, Moirai 2.0 is twice as fast and thirty times smaller than its prior best version, Moirai 1.0-Large, while also performing better. Model performance plateaus with increasing parameter count and declines at longer horizons, motivating future work on data scaling and long-horizon modeling. We release code and evaluation details to support further research.
Authors: Alessio Borgi, Fabrizio Silvestri, Pietro Li\`o
Abstract: Sheaf Neural Networks equip graph structures with a cellular sheaf: a geometric structure which assigns local vector spaces (stalks) and a linear learnable restriction/transport maps to nodes and edges, yielding an edge-aware inductive bias that handles heterophily and limits oversmoothing. However, common Neural Sheaf Diffusion implementations rely on SVD-based sheaf normalization and dense per-edge restriction maps, which scale with stalk dimension, require frequent Laplacian rebuilds, and yield brittle gradients. To address these limitations, we introduce Polynomial Neural Sheaf Diffusion (PolyNSD), a new sheaf diffusion approach whose propagation operator is a degree-K polynomial in a normalised sheaf Laplacian, evaluated via a stable three-term recurrence on a spectrally rescaled operator. This provides an explicit K-hop receptive field in a single layer (independently of the stalk dimension), with a trainable spectral response obtained as a convex mixture of K+1 orthogonal polynomial basis responses. PolyNSD enforces stability via convex mixtures, spectral rescaling, and residual/gated paths, reaching new state-of-the-art results on both homophilic and heterophilic benchmarks, inverting the Neural Sheaf Diffusion trend by obtaining these results with just diagonal restriction maps, decoupling performance from large stalk dimension, while reducing runtime and memory requirements.
Authors: Mingxuan Hu, Hongbo Ma, Xinlan Wu, Ziqi Liu, Jiaqi Liu, Yangbin Chen
Abstract: Audio-based depression detection models have demonstrated promising performance but often suffer from gender bias due to imbalanced training data. Epidemiological statistics show a higher prevalence of depression in females, leading models to learn spurious correlations between gender and depression. Consequently, models tend to over-diagnose female patients while underperforming on male patients, raising significant fairness concerns. To address this, we propose a novel Counterfactual Debiasing Framework grounded in causal inference. We construct a causal graph to model the decision-making process and identify gender bias as the direct causal effect of gender on the prediction. During inference, we employ counterfactual inference to estimate and subtract this direct effect, ensuring the model relies primarily on authentic acoustic pathological features. Extensive experiments on the DAIC-WOZ dataset using two advanced acoustic backbones demonstrate that our framework not only significantly reduces gender bias but also improves overall detection performance compared to existing debiasing strategies.
Authors: Joey Hong, Kang Liu, Zhan Ling, Jiecao Chen, Sergey Levine
Abstract: Large language model (LLM) agents -- LLMs that dynamically interact with an environment over long horizons -- have become an increasingly important area of research, enabling automation in complex tasks involving tool-use, web browsing, and dialogue with people. In the absence of expert demonstrations, training LLM agents has relied on policy gradient methods that optimize LLM policies with respect to an (often sparse) reward function. However, in long-horizon tasks with sparse rewards, learning from trajectory-level rewards can be noisy, leading to training that is unstable and has high sample complexity. Furthermore, policy improvement hinges on discovering better actions through exploration, which can be difficult when actions lie in natural language space. In this paper, we propose Natural Language Actor-Critic (NLAC), a novel actor-critic algorithm that trains LLM policies using a generative LLM critic that produces natural language rather than scalar values. This approach leverages the inherent strengths of LLMs to provide a richer and more actionable training signal; particularly, in tasks with large, open-ended action spaces, natural language explanations for why an action is suboptimal can be immensely useful for LLM policies to reason how to improve their actions, without relying on random exploration. Furthermore, our approach can be trained off-policy without policy gradients, offering a more data-efficient and stable alternative to existing on-policy methods. We present results on a mixture of reasoning, web browsing, and tool-use with dialogue tasks, demonstrating that NLAC shows promise in outperforming existing training approaches and offers a more scalable and stable training paradigm for LLM agents.
Authors: Yezi Liu, William Youngwoo Chung, Hanning Chen, Calvin Yeung, Mohsen Imani
Abstract: Recent progress in large language models (LLMs) has made knowledge-grounded reasoning increasingly practical, yet KG-based QA systems often pay a steep price in efficiency and transparency. In typical pipelines, symbolic paths are scored by neural encoders or repeatedly re-ranked by multiple LLM calls, which inflates latency and GPU cost and makes the decision process hard to audit. We introduce PathHD, an encoder-free framework for knowledge-graph reasoning that couples hyperdimensional computing (HDC) with a single LLM call per query. Given a query, PathHD represents relation paths as block-diagonal GHRR hypervectors, retrieves candidate paths using a calibrated blockwise cosine similarity with Top-K pruning, and then performs a one-shot LLM adjudication that outputs the final answer together with supporting, citeable paths. The design is enabled by three technical components: (i) an order-sensitive, non-commutative binding operator for composing multi-hop paths, (ii) a robust similarity calibration that stabilizes hypervector retrieval, and (iii) an adjudication stage that preserves interpretability while avoiding per-path LLM scoring. Across WebQSP, CWQ, and GrailQA, PathHD matches or improves Hits@1 compared to strong neural baselines while using only one LLM call per query, reduces end-to-end latency by $40-60\%$, and lowers GPU memory by $3-5\times$ due to encoder-free retrieval. Overall, the results suggest that carefully engineered HDC path representations can serve as an effective substrate for efficient and faithful KG-LLM reasoning, achieving a strong accuracy-efficiency-interpretability trade-off.
Authors: Jihang Wang, Dongcheng Zhao, Ruolin Chen, Qian Zhang, Yi Zeng
Abstract: Spiking Neural Networks (SNNs) utilize spike-based activations to mimic the brain's energy-efficient information processing. However, the binary and discontinuous nature of spike activations causes vanishing gradients, making adversarial robustness evaluation via gradient descent unreliable. While improved surrogate gradient methods have been proposed, their effectiveness under strong adversarial attacks remains unclear. We propose a more reliable framework for evaluating SNN adversarial robustness. We theoretically analyze the degree of gradient vanishing in surrogate gradients and introduce the Adaptive Sharpness Surrogate Gradient (ASSG), which adaptively evolves the shape of the surrogate function according to the input distribution during attack iterations, thereby enhancing gradient accuracy while mitigating gradient vanishing. In addition, we design an adversarial attack with adaptive step size under the $L_\infty$ constraint-Stable Adaptive Projected Gradient Descent (SA-PGD), achieving faster and more stable convergence under imprecise gradients. Extensive experiments show that our approach substantially increases attack success rates across diverse adversarial training schemes, SNN architectures and neuron models, providing a more generalized and reliable evaluation of SNN adversarial robustness. The experimental results further reveal that the robustness of current SNNs has been significantly overestimated and highlighting the need for more dependable adversarial training methods.
Authors: Yongwei Zhang, Yuanzhe Xing, Quanyi Liang, Quan Quan, Zhikun She
Abstract: For safety-critical applications, model-free reinforcement learning (RL) faces numerous challenges, particularly the difficulty of establishing verifiable stability guarantees while maintaining high exploration efficiency. To address these challenges, we present Multi-Step Actor-Critic Learning with Lyapunov Certificates (MSACL), a novel approach that seamlessly integrates exponential stability with maximum entropy reinforcement learning (MERL). In contrast to existing methods that rely on complex reward engineering and single-step constraints, MSACL utilizes intuitive rewards and multi-step data for actor-critic learning. Specifically, we first introduce Exponential Stability Labels (ESLs) to categorize samples and propose a $\lambda$-weighted aggregation mechanism to learn Lyapunov certificates. Leveraging these certificates, we then develop a stability-aware advantage function to guide policy optimization, thereby ensuring rapid Lyapunov descent and robust state convergence. We evaluate MSACL across six benchmarks, comprising four stabilization and two high-dimensional tracking tasks. Experimental results demonstrate its consistent superiority over both standard RL baselines and state-of-the-art Lyapunov-based RL algorithms. Beyond rapid convergence, MSACL exhibits significant robustness against environmental uncertainties and remarkable generalization to unseen reference signals. The source code and benchmarking environments are available at \href{https://github.com/YuanZhe-Xing/MSACL}{https://github.com/YuanZhe-Xing/MSACL}.
URLs: https://github.com/YuanZhe-Xing/MSACL, https://github.com/YuanZhe-Xing/MSACL
Authors: Mingming Zhang, Na Li, Zhuang Feiqing, Hongyang Zheng, Jiangbing Zhou, Wang Wuyin, Sheng-jie Sun, XiaoWei Chen, Junxiong Zhu, Lixin Zou, Chenliang Li
Abstract: With the rapid development of e-commerce, auto-bidding has become a key asset in optimizing advertising performance under diverse advertiser environments. The current approaches focus on reinforcement learning (RL) and generative models. These efforts imitate offline historical behaviors by utilizing a complex structure with expensive hyperparameter tuning. The suboptimal trajectories further exacerbate the difficulty of policy learning. To address these challenges, we proposes QGA, a novel Q-value regularized Generative Auto-bidding method. In QGA, we propose to plug a Q-value regularization with double Q-learning strategy into the Decision Transformer backbone. This design enables joint optimization of policy imitation and action-value maximization, allowing the learned bidding policy to both leverage experience from the dataset and alleviate the adverse impact of the suboptimal trajectories. Furthermore, to safely explore the policy space beyond the data distribution, we propose a Q-value guided dual-exploration mechanism, in which the DT model is conditioned on multiple return-to-go targets and locally perturbed actions. This entire exploration process is dynamically guided by the aforementioned Q-value module, which provides principled evaluation for each candidate action. Experiments on public benchmarks and simulation environments demonstrate that QGA consistently achieves superior or highly competitive results compared to existing alternatives. Notably, in large-scale real-world A/B testing, QGA achieves a 3.27% increase in Ad GMV and a 2.49% improvement in Ad ROI.
Authors: Ruiyi Ding, Yongxuan Lv, Xianhui Meng, Jiahe Song, Chao Wang, Chen Jiang, Yuan Cheng
Abstract: Policy optimization for large language models often suffers from sparse reward signals in multi-step reasoning tasks. Critic-free methods like GRPO assign a single normalized outcome reward to all tokens, providing limited guidance for intermediate reasoning . While Process Reward Models (PRMs) offer dense feedback, they risk premature collapse when used alone, as early low-reward tokens can drive policies toward truncated outputs. We introduce Process Relative Policy Optimization (PRPO), which combines outcome reliability with process-level guidance in a critic-free framework. PRPO segments reasoning sequences based on semantic clues, normalizes PRM scores into token-level advantages, and aligns their distribution with outcome advantages through location-parameter shift. On MATH500, PRPO improves Qwen2.5-Math-1.5B accuracy from 61.2% to 64.4% over GRPO using only eight rollouts and no value network, demonstrating efficient fine-grained credit assignment within critic-free optimization. Code is available at: https://github.com/SchumiDing/srpocode
Authors: Simon Jegou, Maximilian Jeblick
Abstract: Growing context lengths in transformer-based language models have made the key-value (KV) cache a critical inference bottleneck. While many KV cache pruning methods have been proposed, they have not yet been adopted in major inference engines due to speed--accuracy trade-offs. We introduce KVzap, a fast, input-adaptive approximation of KVzip that works in both prefilling and decoding. On Qwen3-8B, Llama-3.1-8B-Instruct, and Qwen3-32B across long-context and reasoning tasks, KVzap achieves $2$--$4\times$ KV cache compression with negligible accuracy loss and achieves state-of-the-art performance on the KVpress leaderboard. Code and models are available at https://github.com/NVIDIA/kvpress.
Authors: Lisa Schneckenreiter, Sohvi Luukkonen, Lukas Friedrich, Daniel Kuhn, G\"unter Klambauer
Abstract: Structure-based and ligand-based computational drug design have traditionally relied on disjoint data sources and modeling assumptions, limiting their joint use at scale. In this work, we introduce Contrastive Geometric Learning for Unified Computational Drug Design (ConGLUDe), a single contrastive geometric model that unifies structure- and ligand-based training. ConGLUDe couples a geometric protein encoder that produces whole-protein representations and implicit embeddings of predicted binding sites with a fast ligand encoder, removing the need for pre-defined pockets. By aligning ligands with both global protein representations and multiple candidate binding sites through contrastive learning, ConGLUDe supports ligand-conditioned pocket prediction in addition to virtual screening and target fishing, while being trained jointly on protein-ligand complexes and large-scale bioactivity data. Across diverse benchmarks, ConGLUDe achieves competitive zero-shot virtual screening performance, substantially outperforms existing methods on a challenging target fishing task, and demonstrates state-of-the-art ligand-conditioned pocket selection. These results highlight the advantages of unified structure-ligand training and position ConGLUDe as a step toward general-purpose foundation models for drug discovery.
Authors: Arthur da Cunha, Mikael M{\o}ller H{\o}gsgaard, Andrea Paudice
Abstract: Boosting is a powerful method that turns weak learners, which perform only slightly better than random guessing, into strong learners with high accuracy. While boosting is well understood in the classic setting, it is less so in the agnostic case, where no assumptions are made about the data. Indeed, only recently was the sample complexity of agnostic boosting nearly settled arXiv:2503.09384, but the known algorithm achieving this bound has exponential running time. In this work, we propose the first agnostic boosting algorithm with near-optimal sample complexity, running in time polynomial in the sample size when considering the other parameters of the problem fixed.
Authors: Kareem Amin, Alex Bie, Weiwei Kong, Umar Syed, Sergei Vassilvitskii
Abstract: The prevalence and low cost of LLMs have led to a rise of synthetic content. From review sites to court documents, "natural" content has been contaminated by data points that appear similar to natural data, but are in fact LLM-generated. In this work we revisit fundamental learning theory questions in this, now ubiquitous, setting. We model this scenario as a sequence of learning tasks where the input is a mix of natural and synthetic data, and the learning algorithms are oblivious to the origin of any individual example. We study the possibilities and limitations of ERM in this setting. For the problem of estimating the mean of an arbitrary $d$-dimensional distribution, we find that while ERM converges to the true mean, it is outperformed by an algorithm that assigns non-uniform weights to examples from different generations of data. For the PAC learning setting, the disparity is even more stark. We find that ERM does not always converge to the true concept, echoing the model collapse literature. However, we show there are algorithms capable of learning the correct hypothesis for arbitrary VC classes and arbitrary amounts of contamination.
Authors: Dongchen Huang
Abstract: Deep learning models, particularly Transformers, are often criticized as "black boxes" and lack interpretability. We propose Prism, a white-box attention-based architecture derived from the principles of Maximizing Coding Rate Reduction ($\text{MCR}^2$). By modeling the attention mechanism as a gradient ascent process on a distinct signal-noise manifold, we introduce a specific irrational frequency separation ($\pi$-RoPE) to enforce incoherence between signal (semantic) and noise (syntactic) subspaces. We show empirical evidence that these geometric inductive biases can induce unsupervised functional disentanglement alone. Prism spontaneously specializes its attention heads into spectrally distinct regimes: low-frequency heads capturing long-range causal dependencies (signal) and high-frequency heads handling local syntactic constraints and structural artifacts. To provide a theoretical grounding for these spectral phenomena, we draw an analogy between attention mechanism and a Hamiltonian dynamical system and identify that the standard geometric progression of Rotary Positional Embeddings (RoPE) induces dense resonance networks (Arnold Tongues), leading to feature rank collapse. Empirical validation on 124M-parameter models trained on OpenWebText demonstrates that Prism spontaneously isolates the Attention Sink pathology and maintains isentropic information flow across layers. Further, we suggest a physics-informed plug-and-play intervention KAM-RoPE for large language models (LLMs). Our results suggest that interpretability and performance can be unified through principled geometric construction, offering a theoretically grounded alternative to heuristic architectural modifications
Authors: Amrith Setlur, Zijian Wang, Andrew Cohen, Paria Rashidinejad, Sang Michael Xie
Abstract: Typical reinforcement learning (RL) methods for LLM reasoning waste compute on hard problems, where correct on-policy traces are rare, policy gradients vanish, and learning stalls. To bootstrap more efficient RL, we consider reusing old sampling FLOPs (from prior inference or RL training) in the form of off-policy traces. Standard off-policy methods supervise against off-policy data, causing instabilities during RL optimization. We introduce PrefixRL, where we condition on the prefix of successful off-policy traces and run on-policy RL to complete them, side-stepping off-policy instabilities. PrefixRL boosts the learning signal on hard problems by modulating the difficulty of the problem through the off-policy prefix length. We prove that the PrefixRL objective is not only consistent with the standard RL objective but also more sample efficient. Empirically, we discover back-generalization: training only on prefixed problems generalizes to out-of-distribution unprefixed performance, with learned strategies often differing from those in the prefix. In our experiments, we source the off-policy traces by rejection sampling with the base model, creating a self-improvement loop. On hard reasoning problems, PrefixRL reaches the same training reward 2x faster than the strongest baseline (SFT on off-policy data then RL), even after accounting for the compute spent on the initial rejection sampling, and increases the final reward by 3x. The gains transfer to held-out benchmarks, and PrefixRL is still effective when off-policy traces are derived from a different model family, validating its flexibility in practical settings.
Authors: Seiji Shaw, Travis Manderson, Chad Kessens, Nicholas Roy
Abstract: We are interested in enabling autonomous agents to learn and reason about systems with hidden states, such as locking mechanisms. We cast this problem as learning the parameters of a discrete Partially Observable Markov Decision Process (POMDP). The agent begins with knowledge of the POMDP's actions and observation spaces, but not its state space, transitions, or observation models. These properties must be constructed from a sequence of actions and observations. Spectral approaches to learning models of partially observable domains, such as Predictive State Representations (PSRs), learn representations of state that are sufficient to predict future outcomes. PSR models, however, do not have explicit transition and observation system models that can be used with different reward functions to solve different planning problems. Under a mild set of rankness assumptions on the products of transition and observation matrices, we show how PSRs learn POMDP matrices up to a similarity transform, and this transform may be estimated via tensor decomposition methods. Our method learns observation matrices and transition matrices up to a partition of states, where the states in a single partition have the same observation distributions corresponding to actions whose transition matrices are full-rank. Our experiments suggest that explicit observation and transition likelihoods can be leveraged to generate new plans for different goals and reward functions after the model has been learned. We also show that learning a POMDP beyond a partition of states is impossible from sequential data by constructing two POMDPs that agree on all observation distributions but differ in their transition dynamics.
Authors: Saeed Nasehi Basharzad, Farhana Choudhury, Egemen Tanin
Abstract: Real-world Vehicle Routing Problems (RWVRPs) require solving complex, sequence-dependent challenges at scale with constraints such as delivery time window, replenishment or recharging stops, asymmetric travel cost, etc. While recent neural methods achieve strong results on large-scale classical VRP benchmarks, they struggle to address RWVRPs because their strategies overlook sequence dependencies and underutilize edge-level information, which are precisely the characteristics that define the complexity of RWVRPs. We present SEAFormer, a novel transformer that incorporates both node-level and edge-level information in decision-making through two key innovations. First, our Clustered Proximity Attention (CPA) exploits locality-aware clustering to reduce the complexity of attention from $O(n^2)$ to $O(n)$ while preserving global perspective, allowing SEAFormer to efficiently train on large instances. Second, our lightweight edge-aware module captures pairwise features through residual fusion, enabling effective incorporation of edge-based information and faster convergence. Extensive experiments across four RWVRP variants with various scales demonstrate that SEAFormer achieves superior results over state-of-the-art methods. Notably, SEAFormer is the first neural method to solve 1,000+ node RWVRPs effectively, while also achieving superior performance on classic VRPs, making it a versatile solution for both research benchmarks and real-world applications.
Authors: Shih-Hsuan Chiu, Ming-Syan Chen
Abstract: Personalized virtual assistants powered by large language models (LLMs) on edge devices are attracting growing attention, with Retrieval-Augmented Generation (RAG) emerging as a key method for personalization by retrieving relevant profile data and generating tailored responses. However, deploying RAG on edge devices faces efficiency hurdles due to the rapid growth of profile data, such as user-LLM interactions and recent updates. While Computing-in-Memory (CiM) architectures mitigate this bottleneck by eliminating data movement between memory and processing units via in-situ operations, they are susceptible to environmental noise that can degrade retrieval precision. This poses a critical issue in dynamic, multi-domain edge-based scenarios (e.g., travel, medicine, and law) where both accuracy and adaptability are paramount. To address these challenges, we propose Task-Oriented Noise-resilient Embedding Learning (TONEL), a framework that improves noise robustness and domain adaptability for RAG in noisy edge environments. TONEL employs a noise-aware projection model to learn task-specific embeddings compatible with CiM hardware constraints, enabling accurate retrieval under noisy conditions. Extensive experiments conducted on personalization benchmarks demonstrate the effectiveness and practicality of our methods relative to strong baselines, especially in task-specific noisy scenarios.
Authors: Zhiheng Jiang, Yunzhe Wang, Ryan Marr, Ellen Novoseller, Benjamin T. Files, Volkan Ustun
Abstract: Preference-Conditioned Policy Learning (PCPL) in Multi-Objective Reinforcement Learning (MORL) aims to approximate diverse Pareto-optimal solutions by conditioning policies on user-specified preferences over objectives. This enables a single model to flexibly adapt to arbitrary trade-offs at run-time by producing a policy on or near the Pareto front. However, existing benchmarks for PCPL are largely restricted to toy tasks and fixed environments, limiting their realism and scalability. To address this gap, we introduce GraphAllocBench, a flexible benchmark built on a novel graph-based resource allocation sandbox environment inspired by city management, which we call CityPlannerEnv. GraphAllocBench provides a rich suite of problems with diverse objective functions, varying preference conditions, and high-dimensional scalability. We also propose two new evaluation metrics -- Proportion of Non-Dominated Solutions (PNDS) and Ordering Score (OS) -- that directly capture preference consistency while complementing the widely used hypervolume metric. Through experiments with Multi-Layer Perceptrons (MLPs) and graph-aware models, we show that GraphAllocBench exposes the limitations of existing MORL approaches and paves the way for using graph-based methods such as Graph Neural Networks (GNNs) in complex, high-dimensional combinatorial allocation tasks. Beyond its predefined problem set, GraphAllocBench enables users to flexibly vary objectives, preferences, and allocation rules, establishing it as a versatile and extensible benchmark for advancing PCPL. Code: https://github.com/jzh001/GraphAllocBench
Authors: Minghui Chen, Wenlong Deng, James Zou, Han Yu, Xiaoxiao Li
Abstract: Large language models (LLMs) are increasingly deployed as part of compound AI systems that coordinate multiple modules (e.g., retrievers, tools, verifiers) over long-horizon workflows. Recent approaches that propagate textual feedback globally (e.g., TextGrad) make it feasible to optimize such pipelines, but we find that performance degrades as system depth grows. In particular, long-horizon agentic workflows exhibit two depth-scaling failure modes: 1) exploding textual gradient, where textual feedback grows exponentially with depth, leading to prohibitively long message and amplifies evaluation biases; and 2) vanishing textual gradient, where limited long-context ability causes models overemphasize partial feedback and compression of lengthy feedback causes downstream messages to lose specificity gradually as they propagate many hops upstream. To mitigate these issues, we introduce Textual Equilibrium Propagation (TEP), a local learning principle inspired by Equilibrium Propagation in energy-based models. TEP includes two phases: 1) a free phase where a local LLM critics iteratively refine prompts until reaching equilibrium (no further improvements are suggested); and 2) a nudged phase which applies proximal prompt edits with bounded modification intensity, using task-level objectives that propagate via forward signaling rather than backward feedback chains. This design supports local prompt optimization followed by controlled adaptation toward global goals without the computational burden and signal degradation of global textual backpropagation. Across long-horizon QA benchmarks and multi-agent tool-use dataset, TEP consistently improves accuracy and efficiency over global propagation methods such as TextGrad. The gains grows with depth, while preserving the practicality of black-box LLM components in deep compound AI system.
Authors: Augusto Santos, Teresa Santos, Catarina Rodrigues, Jos\'e M. F. Moura
Abstract: Emergent phenomena -- onset of epileptic seizures, sudden customer churn, or pandemic outbreaks -- often arise from hidden causal interactions in complex systems. We propose a machine learning method for their early detection that addresses a core challenge: unveiling and harnessing a system's latent causal structure despite the data-generating process being unknown and partially observed. The method learns an optimal feature representation from a one-parameter family of estimators -- powers of the empirical covariance or precision matrix -- offering a principled way to tune in to the underlying structure driving the emergence of critical events. A supervised learning module then classifies the learned representation. We prove structural consistency of the family and demonstrate the empirical soundness of our approach on seizure detection and churn prediction, attaining competitive results in both. Beyond prediction, and toward explainability, we ascertain that the optimal covariance power exhibits evidence of good identifiability while capturing structural signatures, thus reconciling predictive performance with interpretable statistical structure.
Authors: Huaming Du, Yijie Huang, Su Yao, Yiying Wang, Yueyang Zhou, Jingwen Yang, Jinshi Zhang, Han Ji, Yu Zhao, Guisong Liu, Hegui Zhang, Carl Yang, Gang Kou
Abstract: The increasing scale of graph datasets has significantly improved the performance of graph representation learning methods, but it has also introduced substantial training challenges. Graph dataset condensation techniques have emerged to compress large datasets into smaller yet information-rich datasets, while maintaining similar test performance. However, these methods strictly require downstream applications to match the original dataset and task, which often fails in cross-task and cross-domain scenarios. To address these challenges, we propose a novel causal-invariance-based and transferable graph dataset condensation method, named \textbf{TGCC}, providing effective and transferable condensed datasets. Specifically, to preserve domain-invariant knowledge, we first extract domain causal-invariant features from the spatial domain of the graph using causal interventions. Then, to fully capture the structural and feature information of the original graph, we perform enhanced condensation operations. Finally, through spectral-domain enhanced contrastive learning, we inject the causal-invariant features into the condensed graph, ensuring that the compressed graph retains the causal information of the original graph. Experimental results on five public datasets and our novel \textbf{FinReport} dataset demonstrate that TGCC achieves up to a 13.41\% improvement in cross-task and cross-domain complex scenarios compared to existing methods, and achieves state-of-the-art performance on 5 out of 6 datasets in the single dataset and task scenario.
Authors: Filippo Portera
Abstract: We propose a new convex loss for Support Vector Machines, both for the binary classification and for the regression models. Therefore, we show the mathematical derivation of the dual problems and we experiment with them on several small datasets. The minimal dimension of those datasets is due to the difficult scalability of the SVM method to bigger instances. This preliminary study should prove that using pattern correlations inside the loss function could enhance the generalisation performances. Our method consistently achieved comparable or superior performance, with improvements of up to 2.0% in F1 scores for classification tasks and 1.0% reduction in Mean Squared Error (MSE) for regression tasks across various datasets, compared to standard losses. Coherently, results show that generalisation measures are never worse than the standard losses and several times they are better. In our opinion, it should be considered a careful study of this loss, coupled with shallow and deep neural networks. In fact, we present some novel results obtained with those architectures.
Authors: Luis A. Ortega, Sim\'on Rodr\'iguez-Santana, Daniel Hern\'andez-Lobato
Abstract: We introduce a scalable method to approximate the kernel of the Linearized Laplace Approximation (LLA). For this, we use a surrogate deep neural network (DNN) that learns a compact feature representation whose inner product replicates the Neural Tangent Kernel (NTK). This avoids the need to compute large Jacobians. Training relies solely on efficient Jacobian-vector products, allowing to compute predictive uncertainty on large-scale pre-trained DNNs. Experimental results show similar or improved uncertainty estimation and calibration compared to existing LLA approximations. Notwithstanding, biasing the learned kernel significantly enhances out-of-distribution detection. This remarks the benefits of the proposed method for finding better kernels than the NTK in the context of LLA to compute prediction uncertainty given a pre-trained DNN.
Authors: Sichen Zhao, Zhiming Xue, Yalun Qi, Xianling Zeng, Zihan Yu
Abstract: Malicious bots pose a growing threat to e-commerce platforms by scraping data, hoarding inventory, and perpetrating fraud. Traditional bot mitigation techniques, including IP blacklists and CAPTCHA-based challenges, are increasingly ineffective or intrusive, as modern bots leverage proxies, botnets, and AI-assisted evasion strategies. This work proposes a non-intrusive graph-based bot detection framework for e-commerce that models user session behavior through a graph representation and applies an inductive graph neural network for classification. The approach captures both relational structure and behavioral semantics, enabling accurate identification of subtle automated activity that evades feature-based methods. Experiments on real-world e-commerce traffic demonstrate that the proposed inductive graph model outperforms a strong session-level multilayer perceptron baseline in terms of AUC and F1 score. Additional adversarial perturbation and cold-start simulations show that the model remains robust under moderate graph modifications and generalizes effectively to previously unseen sessions and URLs. The proposed framework is deployment-friendly, integrates with existing systems without client-side instrumentation, and supports real-time inference and incremental updates, making it suitable for practical e-commerce security deployments.
Authors: Ming-Yao Ho, Cheng-Kai Wang, You-Teng Lin, Hung-Hsuan Chen
Abstract: Adopting large-scale AI models in enterprise information systems is often hindered by high training costs and long development cycles, posing a significant managerial challenge. The standard end-to-end backpropagation (BP) algorithm is a primary driver of modern AI, but it is also the source of inefficiency in training deep networks. This paper introduces a new training methodology, Supervised Contrastive Parallel Learning (SCPL), that addresses this issue by decoupling BP and transforming a long gradient flow into multiple short ones. This design enables the simultaneous computation of parameter gradients in different layers, achieving superior model parallelism and enhancing training throughput. Detailed experiments are presented to demonstrate the efficiency and effectiveness of our model compared to BP, Early Exit, GPipe, and Associated Learning (AL), a state-of-the-art method for decoupling backpropagation. By mitigating a fundamental performance bottleneck, SCPL provides a practical pathway for organizations to develop and deploy advanced information systems more cost-effectively and with greater agility. The experimental code is released for reproducibility. https://github.com/minyaho/scpl/
Authors: Hao Deng, Zhang Guo, Shuiping Gou, Bo Liu
Abstract: Graph Neural Networks (GNNs) are sensitive to structural noise from adversarial attacks or imperfections. Existing graph contrastive learning (GCL) methods typically rely on either random perturbations (e.g., edge dropping) for diversity or spectral augmentations (e.g., SVD) to preserve structural priors. However, random perturbations are structure-agnostic and may remove critical edges, while SVD-based views often lack sufficient diversity. Integrating these paradigms is challenging as they operate on discrete edge removal and continuous matrix factorization, respectively.We propose SPGCL, a framework for robust GCL via SVD-guided structural perturbation. Leveraging a recently developed SVD-based method that generalizes structural perturbation theory to arbitrary graphs, we design a two-stage strategy: (1) lightweight stochastic edge removal to inject diversity, and (2) truncated SVD to derive a structure-aware scoring matrix for sparse top-$P$ edge recovery. This integration offers three advantages: (1) Robustness to accidental deletion, as important edges can be recovered by SVD-guided scoring; (2) Enrichment with missing links, creating more informative contrastive views by introducing semantically meaningful edges; and (3) Controllable structural discrepancy, ensuring contrastive signals stem from semantic differences rather than edge-number gaps.Furthermore, we incorporate a contrastive fusion module with a global similarity constraint to align embeddings. Extensive experiments on ten benchmark datasets demonstrate that SPGCL consistently improves the robustness and accuracy of GNNs, outperforming state-of-the-art GCL and structure learning methods, validating its effectiveness in integrating previously disparate paradigms.
Authors: Han Xiao
Abstract: We present a compression method for unit-norm embeddings that achieves 1.5$\times$ compression, 25% better than the best prior lossless method. The method exploits that spherical coordinates of high-dimensional unit vectors concentrate around $\pi/2$, causing IEEE 754 exponents to collapse to a single value and high-order mantissa bits to become predictable, enabling entropy coding of both. Reconstruction error is below 1e-7, under float32 machine epsilon. Evaluation across 26 configurations spanning text, image, and multi-vector embeddings confirms consistent improvement.
Authors: Seung Heon Oh, Jiwon Baek, Ki Young Cho, Hee Chang Yoon, Jong Hun Woo
Abstract: This paper proposes a novel Variational Graph-to-Scheduler (VG2S) framework for solving the Job Shop Scheduling Problem (JSSP), a critical task in manufacturing that directly impacts operational efficiency and resource utilization. Conventional Deep Reinforcement Learning (DRL) approaches often face challenges such as non-stationarity during training and limited generalization to unseen problem instances because they optimize representation learning and policy execution simultaneously. To address these issues, we introduce variational inference to the JSSP domain for the first time and derive a probabilistic objective based on the Evidence of Lower Bound (ELBO) with maximum entropy reinforcement learning. By mathematically decoupling representation learning from policy optimization, the VG2S framework enables the agent to learn robust structural representations of scheduling instances through a variational graph encoder. This approach significantly enhances training stability and robustness against hyperparameter variations. Extensive experiments demonstrate that the proposed method exhibits superior zero-shot generalization compared with state-of-the-art DRL baselines and traditional dispatching rules, particularly on large-scale and challenging benchmark instances such as DMU and SWV.
Authors: Dongbin Jiao, Zisheng Chen, Xianyi Wang, Jintao Shi, Shengcai Liu, Shi Yan
Abstract: Solving large-scale capacitated vehicle routing problems (CVRP) is hindered by the high complexity of heuristics and the limited generalization of neural solvers on massive graphs. We propose OD-DEAL, an adversarial learning framework that tightly integrates hybrid genetic search (HGS) and online barycenter clustering (BCC) decomposition, and leverages high-fidelity knowledge distillation to transfer expert heuristic behavior. OD-DEAL trains a graph attention network (GAT)-based generative policy through a minimax game, in which divide-and-conquer strategies from a hybrid expert are distilled into dense surrogate rewards. This enables high-quality, clustering-free inference on large-scale instances. Empirical results demonstrate that OD-DEAL achieves state-of-the-art (SOTA) real-time CVRP performance, solving 10000-node instances with near-constant neural scaling. This uniquely enables the sub-second, heuristic-quality inference required for dynamic large-scale deployment.
Authors: Minghui Sun, Haoyu Gong, Xingyu You, Jillian Hurst, Benjamin Goldstein, Matthew Engelhard
Abstract: Event stream data often exhibit hierarchical structure in which multiple events co-occur, resulting in a sequence of multisets (i.e., bags of events). In electronic health records (EHRs), for example, medical events are grouped into a sequence of clinical encounters with well-defined temporal structure, but the order and timing of events within each encounter may be unknown or unreliable. Most existing foundation models (FMs) for event stream data flatten this hierarchy into a one-dimensional sequence, leading to (i) computational inefficiency associated with dense attention and learning spurious within-set relationships, and (ii) lower-quality set-level representations from heuristic post-training pooling for downstream tasks. Here, we show that preserving the original hierarchy in the FM architecture provides a useful inductive bias that improves both computational efficiency and representation quality. We then introduce Nested Event Stream Transformer (NEST), a FM for event streams comprised of sequences of multisets. Building on this architecture, we formulate Masked Set Modeling (MSM), an efficient paradigm that promotes improved set-level representation learning. Experiments on real-world multiset sequence data show that NEST captures real-world dynamics while improving both pretraining efficiency and downstream performance.
Authors: Shihao Wang, Qipeng Qian, Jingquan Wang
Abstract: We study solution learning for heat-based equations in self-similar variables (SSV). We develop an SSV training framework compatible with standard neural-operator training. We instantiate this framework on the two-dimensional incompressible Navier-Stokes equations and the one-dimensional viscous Burgers equation, and perform controlled comparisons between models trained in physical coordinates and in the corresponding self-similar coordinates using two simple fully connected architectures (standard multilayer perceptrons and a factorized fully connected network). Across both systems and both architectures, SSV-trained networks consistently deliver substantially more accurate and stable extrapolation beyond the training window and better capture qualitative long-time trends. These results suggest that self-similar coordinates provide a mathematically motivated inductive bias for learning the long-time dynamics of heat-based equations.
Authors: Anxin Guo, Jingwei Li
Abstract: Large language models often hallucinate with high confidence on "random facts" that lack inferable patterns. We formalize the memorization of such facts as a membership testing problem, unifying the discrete error metrics of Bloom filters with the continuous log-loss of LLMs. By analyzing this problem in the regime where facts are sparse in the universe of plausible claims, we establish a rate-distortion theorem: the optimal memory efficiency is characterized by the minimum KL divergence between score distributions on facts and non-facts. This theoretical framework provides a distinctive explanation for hallucination: even with optimal training, perfect data, and a simplified "closed world" setting, the information-theoretically optimal strategy under limited capacity is not to abstain or forget, but to assign high confidence to some non-facts, resulting in hallucination. We validate this theory empirically on synthetic data, showing that hallucinations persist as a natural consequence of lossy compression.
Authors: Qishuai Wen, Zhiyuan Huang, Xianghan Meng, Wei He, Chun-Guang Li
Abstract: The attention operator in Transformers can be viewed as a two-layer fast-weight MLP, whose weights are dynamically instantiated from input tokens and whose width equals sequence length N. As the context extends, the expressive capacity of such an N-width MLP increases, but scaling its fast weights becomes prohibitively expensive for extremely long sequences. Recently, this fast-weight scaling perspective has motivated the Mixture-of-Experts (MoE) attention, which partitions the sequence into fast-weight experts and sparsely routes the tokens to them. In this paper, we elevate this perspective to a unifying framework for a wide range of efficient attention methods by interpreting them as scaling fast weights through routing and/or compression. Then we propose a compress-and-route strategy, which compresses the N-width MLP into a narrower one using a small set of landmark queries and constructs deformable experts by gathering top-k activated key-value pairs for each landmark query. We call this strategy a Mixture of Top-k Activations (MiTA), and refer to the resulting efficient mechanism as MiTA attention. Preliminary experiments on vision tasks demonstrate the promise of our MiTA attention and motivate further investigation on its optimization and broader applications in more challenging settings.
Authors: Yu Chen, Yuhao Liu, Jiatai Huang, Yihan Du, Longbo Huang
Abstract: We investigate episodic Markov Decision Processes with heavy-tailed feedback (HTMDPs). Existing approaches for HTMDPs are conservative in stochastic environments and lack adaptivity in adversarial regimes. In this work, we propose algorithms HT-FTRL-OM and HT-FTRL-UOB for HTMDPs that achieve Best-of-Both-Worlds (BoBW) guarantees: instance-independent regret in adversarial environments and logarithmic instance-dependent regret in self-bounding (including the stochastic case) environments. For the known transition setting, HT-FTRL-OM applies the Follow-The-Regularized-Leader (FTRL) framework over occupancy measures with novel skipping loss estimators, achieving a $\widetilde{O}(T^{1/\alpha})$ regret bound in adversarial regimes and a $O(\log T)$ regret in stochastic regimes. Building upon this framework, we develop a novel algorithm HT-FTRL-UOB to tackle the more challenging unknown-transition setting. This algorithm employs a pessimistic skipping loss estimator and achieves a $\widetilde{O}(T^{1/\alpha} + \sqrt{T})$ regret in adversarial regimes and a $O(\log^2(T))$ regret in stochastic regimes. Our analysis overcomes key barriers through several technical insights, including a local control mechanism for heavy-tailed shifted losses, a new suboptimal-mass propagation principle, and a novel regret decomposition that isolates transition uncertainty from heavy-tailed estimation errors and skipping bias.
Authors: Huu Hiep Nguyen, Minh Hoang Nguyen, Dung Nguyen, Hung Le
Abstract: Multimodal time series forecasting is crucial in real-world applications, where decisions depend on both numerical data and contextual signals. The core challenge is to effectively combine temporal numerical patterns with the context embedded in other modalities, such as text. While most existing methods align textual features with time-series patterns one step at a time, they neglect the multiscale temporal influences of contextual information such as time-series cycles and dynamic shifts. This mismatch between local alignment and global textual context can be addressed by spectral decomposition, which separates time series into frequency components capturing both short-term changes and long-term trends. In this paper, we propose SpecTF, a simple yet effective framework that integrates the effect of textual data on time series in the frequency domain. Our method extracts textual embeddings, projects them into the frequency domain, and fuses them with the time series' spectral components using a lightweight cross-attention mechanism. This adaptively reweights frequency bands based on textual relevance before mapping the results back to the temporal domain for predictions. Experimental results demonstrate that SpecTF significantly outperforms state-of-the-art models across diverse multi-modal time series datasets while utilizing considerably fewer parameters. Code is available at https://github.com/hiepnh137/SpecTF.
Authors: Hieu Trung Nguyen, Bao Nguyen, Wenao Ma, Yuzhi Zhao, Ruifeng She, Viet Anh Nguyen
Abstract: Sampling efficiency is a key bottleneck in reinforcement learning with verifiable rewards. Existing group-based policy optimization methods, such as GRPO, allocate a fixed number of rollouts for all training prompts. This uniform allocation implicitly treats all prompts as equally informative, and could lead to inefficient computational budget usage and impede training progress. We introduce VIP, a Variance-Informed Predictive allocation strategy that allocates a given rollout budget to the prompts in the incumbent batch to minimize the expected gradient variance of the policy update. At each iteration, VIP uses a lightweight Gaussian process model to predict per-prompt success probabilities based on recent rollouts. These probability predictions are translated into variance estimates, which are then fed into a convex optimization problem to determine the optimal rollout allocations under a hard compute budget constraint. Empirical results show that VIP consistently improves sampling efficiency and achieves higher performance than uniform or heuristic allocation strategies in multiple benchmarks.
Authors: Jinwoo Park, Hyeongwon Kang, Seung Hun Han, Pilsung Kang
Abstract: Time series anomaly detection is a critical task across various industrial domains. However, capturing temporal dependencies and multivariate correlations within patch-level representation learning remains underexplored, and reliance on single-scale patterns limits the detection of anomalies across different temporal ranges. Furthermore, focusing on normal data representations makes models vulnerable to distribution shifts at inference time. To address these limitations, we propose Codebook-based Online-adaptive Multi-scale Embedding for Time-series anomaly detection (COMET), which consists of three key components: (1) Multi-scale Patch Encoding captures temporal dependencies and inter-variable correlations across multiple patch scales. (2) Vector-Quantized Coreset learns representative normal patterns via codebook and detects anomalies with a dual-score combining quantization error and memory distance. (3) Online Codebook Adaptation generates pseudo-labels based on codebook entries and dynamically adapts the model at inference through contrastive learning. Experiments on five benchmark datasets demonstrate that COMET achieves the best performance in 36 out of 45 evaluation metrics, validating its effectiveness across diverse environments.
Authors: Kunyi Fan, Mengjie Chen, Longlong Li, Cunquan Qu
Abstract: Predicting drug-drug interactions (DDIs) is essential for safe pharmacological treatments. Previous graph neural network (GNN) models leverage molecular structures and interaction networks but mostly rely on linear aggregation and symmetric assumptions, limiting their ability to capture nonlinear and heterogeneous patterns. We propose MGKAN, a Graph Kolmogorov-Arnold Network that introduces learnable basis functions into asymmetric DDI prediction. MGKAN replaces conventional MLP transformations with KAN-driven basis functions, enabling more expressive and nonlinear modeling of drug relationships. To capture pharmacological dependencies, MGKAN integrates three network views-an asymmetric DDI network, a co-interaction network, and a biochemical similarity network-with role-specific embeddings to preserve directional semantics. A fusion module combines linear attention and nonlinear transformation to enhance representational capacity. On two benchmark datasets, MGKAN outperforms seven state-of-the-art baselines. Ablation studies and case studies confirm its predictive accuracy and effectiveness in modeling directional drug effects.
Authors: Yuanshuai Li, Yuping Yan, Jirui Han, Fei Ming, Lingjuan Lv, Yaochu Jin
Abstract: Hallucination remains a fundamental challenge for Multimodal Large Language Models (MLLMs). While Direct Preference Optimization (DPO) is a key alignment framework, existing approaches often rely heavily on costly external evaluators for scoring or rewriting, incurring off-policy learnability gaps and discretization loss. Due to the lack of access to internal states, such feedback overlooks the fine-grained conflicts between different modalities that lead to hallucinations during generation. To address this issue, we propose IRIS (Implicit Reward-Guided Internal Sifting), which leverages continuous implicit rewards in the native log-probability space to preserve full information density and capture internal modal competition. This on-policy paradigm eliminates learnability gaps by utilizing self-generated preference pairs. By sifting these pairs based on multimodal implicit rewards, IRIS ensures that optimization is driven by signals that directly resolve modal conflicts. Extensive experiments demonstrate that IRIS achieves highly competitive performance on key hallucination benchmarks using only 5.7k samples, without requiring any external feedback during preference alignment. These results confirm that IRIS provides an efficient and principled paradigm for mitigating MLLM hallucinations.
Authors: Blagoj Hristov, Hristijan Gjoreski, Vesna Ojleska Latkoska, Gorjan Nadzinski
Abstract: Accurate and responsive myoelectric prosthesis control typically relies on complex, dense multi-sensor arrays, which limits consumer accessibility. This paper presents a novel, data-efficient deep learning framework designed to achieve precise and accurate control using minimal sensor hardware. Leveraging an external dataset of 8 subjects, our approach implements a hybrid Transformer optimized for sparse, two-channel surface electromyography (sEMG). Unlike standard architectures that use fixed positional encodings, we integrate Time2Vec learnable temporal embeddings to capture the stochastic temporal warping inherent in biological signals. Furthermore, we employ a normalized additive fusion strategy that aligns the latent distributions of spatial and temporal features, preventing the destructive interference common in standard implementations. A two-stage curriculum learning protocol is utilized to ensure robust feature extraction despite data scarcity. The proposed architecture achieves a state-of-the-art multi-subject F1-score of 95.7% $\pm$ 0.20% for a 10-class movement set, statistically outperforming both a standard Transformer with fixed encodings and a recurrent CNN-LSTM model. Architectural optimization reveals that a balanced allocation of model capacity between spatial and temporal dimensions yields the highest stability. Furthermore, while direct transfer to a new unseen subject led to poor accuracy due to domain shifts, a rapid calibration protocol utilizing only two trials per gesture recovered performance from 21.0% $\pm$ 2.98% to 96.9% $\pm$ 0.52%. By validating that high-fidelity temporal embeddings can compensate for low spatial resolution, this work challenges the necessity of high-density sensing. The proposed framework offers a robust, cost-effective blueprint for next-generation prosthetic interfaces capable of rapid personalization.
Authors: Hongwei Yan, Guanglong Sun, Kanglei Zhou, Qian Li, Liyuan Wang, Yi Zhong
Abstract: General continual learning (GCL) challenges intelligent systems to learn from single-pass, non-stationary data streams without clear task boundaries. While recent advances in continual parameter-efficient tuning (PET) of pretrained models show promise, they typically rely on multiple training epochs and explicit task cues, limiting their effectiveness in GCL scenarios. Moreover, existing methods often lack targeted design and fail to address two fundamental challenges in continual PET: how to allocate expert parameters to evolving data distributions, and how to improve their representational capacity under limited supervision. Inspired by the fruit fly's hierarchical memory system characterized by sparse expansion and modular ensembles, we propose FlyPrompt, a brain-inspired framework that decomposes GCL into two subproblems: expert routing and expert competence improvement. FlyPrompt introduces a randomly expanded analytic router for instance-level expert activation and a temporal ensemble of output heads to dynamically adapt decision boundaries over time. Extensive theoretical and empirical evaluations demonstrate FlyPrompt's superior performance, achieving up to 11.23%, 12.43%, and 7.62% gains over state-of-the-art baselines on CIFAR-100, ImageNet-R, and CUB-200, respectively. Our source code is available at https://github.com/AnAppleCore/FlyGCL.
Authors: Minghao Li, Ruihang Wang, Rui Tan, Yonggang Wen
Abstract: Modern data centers (DCs) hosting artificial intelligence (AI)-dedicated devices operate at high power densities with rapidly varying workloads, making minute-level adaptation essential for safe and energy-efficient operation. However, manually designing piecewise deep reinforcement learning (DRL) agents cannot keep pace with frequent dynamics shifts and service-level agreement (SLA) changes of an evolving DC. This specification-to-policy lag causes a lack of timely, effective control policies, which may lead to service outages. To bridge the gap, we present DCoPilot, a hybrid framework for generative control policies in dynamic DC operation. DCoPilot synergizes two distinct generative paradigms, i.e., a large language model (LLM) that performs symbolic generation of structured reward forms, and a hypernetwork that conducts parametric generation of policy weights. DCoPilot operates through three coordinated phases: (i) simulation scale-up, which stress-tests reward candidates across diverse simulation-ready (SimReady) scenes; (ii) meta policy distillation, where a hypernetwork is trained to output policy weights conditioned on SLA and scene embeddings; and (iii) online adaptation, enabling zero-shot policy generation in response to updated specifications. Evaluated across five control task families spanning diverse DC components, DCoPilot achieves near-zero constraint violations and outperforms all baselines across specification variations. Ablation studies validate the effectiveness of LLM-based unified reward generation in enabling stable hypernetwork convergence.
Authors: Jie Xiao, Meng Chen, Qingnan Ren, Song Jingwei, Jiaqi Huang, Yangshen Deng, Chris Tong, Wanyi Chen, Suli Wang, Ziqian Bi, Shuo Lu, Yiqun Duan, Xu Wang, Rymon Yu, Ween Yang, Lynn Ai, Eric Yang, Bill Shi
Abstract: Reinforcement learning (RL) is a critical stage in post-training large language models (LLMs), involving repeated interaction between rollout generation, reward evaluation, and centralized learning. Distributing rollout execution offers opportunities to leverage more cost-efficient inference resources, but introduces challenges in wide-area coordination and policy dissemination. We present ECHO-2, a distributed RL framework for post-training with remote inference workers and non-negligible dissemination latency. ECHO-2 combines centralized learning with distributed rollouts and treats bounded policy staleness as a user-controlled parameter, enabling rollout generation, dissemination, and training to overlap. We introduce an overlap-based capacity model that relates training time, dissemination latency, and rollout throughput, yielding a practical provisioning rule for sustaining learner utilization. To mitigate dissemination bottlenecks and lower cost, ECHO-2 employs peer-assisted pipelined broadcast and cost-aware activation of heterogeneous workers. Experiments on GRPO post-training of 4B and 8B models under real wide-area bandwidth regimes show that ECHO-2 significantly improves cost efficiency while preserving RL reward comparable to strong baselines.
Authors: Ziyu Zhou, Yuchen Fang, Weilin Ruan, Shiyu Wang, James Kwok, Yuxuan Liang
Abstract: Telemetry streams from large-scale Internet-connected systems (e.g., IoT deployments and online platforms) naturally form an irregular multivariate time series (IMTS) whose accurate forecasting is operationally vital. A closer examination reveals a defining Sparsity-Event Duality (SED) property of IMTS, i.e., long stretches with sparse or no observations are punctuated by short, dense bursts where most semantic events (observations) occur. However, existing Graph- and Transformer-based forecasters ignore SED: pre-alignment to uniform grids with heavy padding violates sparsity by inflating sequences and forcing computation at non-informative steps, while relational recasting weakens event semantics by disrupting local temporal continuity. These limitations motivate a more faithful and natural modeling paradigm for IMTS that aligns with its SED property. We find that Spiking Neural Networks meet this requirement, as they communicate via sparse binary spikes and update in an event-driven manner, aligning naturally with the SED nature of IMTS. Therefore, we present SEDformer, an SED-enhanced Spiking Transformer for telemetry IMTS forecasting that couples: (1) a SED-based Spike Encoder converts raw observations into event synchronous spikes using an Event-Aligned LIF neuron, (2) an Event-Preserving Temporal Downsampling module compresses long gaps while retaining salient firings and (3) a stack of SED-based Spike Transformer blocks enable intra-series dependency modeling with a membrane-based linear attention driven by EA-LIF spiking features. Experiments on public telemetry IMTS datasets show that SEDformer attains state-of-the-art forecasting accuracy while reducing energy and memory usage, providing a natural and efficient path for modeling IMTS.
Authors: Maksim Afanasyev, Illarion Iov
Abstract: Direct preference optimization methods have emerged as a computationally efficient alternative to Reinforcement Learning from Human Feedback (RLHF) for aligning Large Language Models (LLMs). Latest approaches have streamlined the alignment process by deriving implicit reward functions, yet they often suffer from a critical objective mismatch: optimizing the relative margin between chosen and rejected responses does not guarantee the preservation of the chosen response's absolute likelihood. This can lead to unlearning, where the model degrades the probability of high-quality outputs to satisfy margin constraints, and formatting collapse caused by the over-penalization of rejected sequences. In this work, we introduce SLIME (Stabilized Likelihood Implicit Margin Enforcement), a reference-free alignment objective designed to decouple preference learning from generation quality. SLIME incorporates a three-pronged objective: (1) an anchoring term to maximize the likelihood of preferred responses; (2) a stabilizing penalty that prevents the probabilities of rejected tokens from collapsing to zero; and (3) a dual-margin mechanism that combines hard and soft constraints for precise boundary shaping. Our results demonstrate that SLIME achieves superior performance compared to state-of-the-art baselines while maintaining higher generation stability.
Authors: Sara Papi, Marco Turchi, Matteo Negri
Abstract: Attention is the core mechanism of today's most used architectures for natural language processing and has been analyzed from many perspectives, including its effectiveness for machine translation-related tasks. Among these studies, attention resulted to be a useful source of information to get insights about word alignment also when the input text is substituted with audio segments, as in the case of the speech translation (ST) task. In this paper, we propose AlignAtt, a novel policy for simultaneous ST (SimulST) that exploits the attention information to generate source-target alignments that guide the model during inference. Through experiments on the 8 language pairs of MuST-C v1.0, we show that AlignAtt outperforms previous state-of-the-art SimulST policies applied to offline-trained models with gains in terms of BLEU of 2 points and latency reductions ranging from 0.5s to 0.8s across the 8 languages.
Authors: Peter Rivera-Casillas, Sourav Dutta, Shukai Cai, Mark Loveland, Kamaljyoti Nath, Khemraj Shukla, Corey Trahan, Jonghyun Lee, Matthew Farthing, Clint Dawson
Abstract: Coastal regions and river floodplains are particularly vulnerable to the impacts of extreme weather events. Accurate real-time forecasting of hydrodynamic processes in these areas is essential for infrastructure planning and climate adaptation. Yet high-fidelity numerical models are often too computationally expensive for real-time use, and lower-cost approaches, such as traditional model order reduction algorithms or conventional neural networks, typically struggle to generalize to out-of-distribution conditions. In this study, we present the Multiple-Input Temporal Operator Network (MITONet), a novel autoregressive neural emulator that employs latent-space operator learning to efficiently approximate high-dimensional numerical solvers for complex, nonlinear problems that are governed by time-dependent, parameterized partial differential equations. We showcase MITONet's predictive capabilities by forecasting regional tide-driven dynamics in the Shinnecock Inlet in New York and riverine flow in a section of the Red River in Louisiana, both described by the two-dimensional shallow-water equations (2D SWE), while incorporating initial conditions, time-varying boundary conditions, and domain parameters such as the bottom friction coefficient. Despite the distinct flow regimes, the complex geometries and meshes, and the wide range of bottom friction coefficients studied, MITONet displays consistently high predictive skill, with anomaly correlation coefficients above 0.9, a maximum normalized root mean square error of 0.011, and computational speedups between 100x-1,250x, even for 175 days of autoregressive rollout forecast from random initial conditions and with unseen parameter values.
Authors: Nina Weng, Aasa Feragen, Siavash Bigdeli
Abstract: Uncovering the opacity of diffusion-based generative models is urgently needed, as their applications continue to expand while their underlying procedures largely remain a black box. With a critical question -- how can the diffusion generation process be interpreted and understood? -- we proposed Patronus, an interpretable diffusion model that incorporates a prototypical network to encode semantics in visual patches, revealing what visual patterns are modeled and where and when they emerge throughout denoising. This interpretability of Patronus provides deeper insights into the generative mechanism, enabling the detection of shortcut learning via unwanted correlations and the tracing of semantic emergence across timesteps. We evaluate Patronus on four natural image datasets and one medical imaging dataset, demonstrating both faithful interpretability and strong generative performance. With this work, we open new avenues for understanding and steering diffusion models through prototype-based interpretability.\\ Our code is available at https://github.com/nina-weng/patronus}{https://github.com/nina-weng/patronus.
URLs: https://github.com/nina-weng/patronus, https://github.com/nina-weng/patronus.
Authors: Zae Myung Kim, Anand Ramachandran, Farideh Tavazoee, Joo-Kyung Kim, Oleg Rokhlenko, Dongyeop Kang
Abstract: Generating long, coherent text remains a challenge for large language models (LLMs), as they lack hierarchical planning and structured organization in discourse generation. We introduce Structural Alignment, a novel method that aligns LLMs with human-like discourse structures to enhance long-form text generation. By integrating linguistically grounded discourse frameworks into reinforcement learning, our approach guides models to produce coherent and well-organized outputs. We employ a dense reward scheme within a Proximal Policy Optimization framework, assigning fine-grained, token-level rewards based on the discourse distinctiveness relative to human writing. Two complementary reward models are evaluated: the first improves readability by scoring surface-level textual features to provide explicit structuring, while the second reinforces deeper coherence and rhetorical sophistication by analyzing global discourse patterns through hierarchical discourse motifs, outperforming both standard and RLHF-enhanced models in tasks such as essay generation and long-document summarization. All training data and code will be publicly shared at https://github.com/minnesotanlp/struct_align.
Authors: Axel Friedrich Wolter, Tobias Sutter
Abstract: We study reinforcement learning by combining recent advances in regularized linear programming formulations with the classical theory of stochastic approximation. Motivated by the challenge of designing algorithms that leverage off-policy data while maintaining on-policy exploration, we propose PGDA-RL, a novel primal-dual Projected Gradient Descent-Ascent algorithm for solving regularized Markov Decision Processes (MDPs). PGDA-RL integrates experience replay-based gradient estimation with a two-timescale decomposition of the underlying nested optimization problem. The algorithm operates asynchronously, interacts with the environment through a single trajectory of correlated data, and updates its policy online in response to the dual variable associated with the occupancy measure of the underlying MDP. We prove that PGDA-RL converges almost surely to the optimal value function and policy of the regularized MDP. Our convergence analysis relies on tools from stochastic approximation theory and holds under weaker assumptions than those required by existing primal-dual RL approaches, notably removing the need for a simulator or a fixed behavioral policy. Under a strengthened ergodicity assumption on the underlying Markov chain, we establish a last-iterate finite-time guarantee with $\tilde{O} (k^{-2/3})$ mean-square convergence, aligning with the best-known rates for two-timescale stochastic approximation methods under Markovian sampling and biased gradient estimates.
Authors: Ryan Cory-Wright, Andr\'es G\'omez
Abstract: We revisit the problem of ensuring strong test set performance via cross-validation, and propose a nested k-fold cross-validation scheme that selects hyperparameters by minimizing a weighted sum of the usual cross-validation metric and an empirical model-stability measure. The weight on the stability term is itself chosen via a nested cross-validation procedure. This reduces the risk of strong validation set performance and poor test set performance due to instability. We benchmark our procedure on a suite of $13$ real-world datasets, and find that, compared to $k$-fold cross-validation over the same hyperparameters, it improves the out-of-sample MSE for sparse ridge regression and CART by $4\%$ and $2\%$ respectively on average, but has no impact on XGBoost. It also reduces the user's out-of-sample disappointment, sometimes significantly. For instance, for sparse ridge regression, the nested k-fold cross-validation error is on average $0.9\%$ lower than the test set error, while the $k$-fold cross-validation error is $21.8\%$ lower than the test error. Thus, for unstable models such as sparse regression and CART, our approach improves test set performance and reduces out-of-sample disappointment.
Authors: Guangke Chen, Fu Song, Zhe Zhao, Xiaojun Jia, Yang Liu, Yanchen Qiao, Weizhe Zhang, Weiping Tu, Yuhong Yang, Bo Du
Abstract: Jailbreak attacks to Large audio-language models (LALMs) are studied recently, but they exclusively focused on the attack scenario where the adversary can fully manipulate user prompts (named strong adversary) and limited in effectiveness, applicability, and practicability. In this work, we first conduct an extensive evaluation showing that advanced text jailbreak attacks cannot be easily ported to end-to-end LALMs via text-to-speech (TTS) techniques. We then propose AUDIOJAILBREAK, a novel audio jailbreak attack, featuring (1) asynchrony: the jailbreak audios do not need to align with user prompts in the time axis by crafting suffixal jailbreak audios; (2) universality: a single jailbreak perturbation is effective for different prompts by incorporating multiple prompts into the perturbation generation; (3) stealthiness: the malicious intent of jailbreak audios is concealed by proposing various intent concealment strategies; and (4) over-the-air robustness: the jailbreak audios remain effective when being played over the air by incorporating reverberation into the perturbation generation. In contrast, all prior audio jailbreak attacks cannot offer asynchrony, universality, stealthiness, and/or over-the-air robustness. Moreover, AUDIOJAILBREAK is also applicable to a more practical and broader attack scenario where the adversary cannot fully manipulate user prompts (named weak adversary). Extensive experiments with thus far the most LALMs demonstrate the high effectiveness of AUDIOJAILBREAK, in particular, it can jailbreak openAI's GPT-4o-Audio and bypass Meta's Llama-Guard-3 safeguard, in the weak adversary scenario. We highlight that our work peeks into the security implications of audio jailbreak attacks against LALMs, and realistically fosters improving their robustness, especially for the newly proposed weak adversary.
Authors: Stephen Y. Zhang, Michael P H Stumpf
Abstract: We consider the Schr\"odinger bridge problem which, given ensemble measurements of the initial and final configurations of a stochastic dynamical system and some prior knowledge on the dynamics, aims to reconstruct the "most likely" evolution of the system compatible with the data. Most existing literature assume Brownian reference dynamics, and are implicitly limited to modelling systems driven by the gradient of a potential energy. We depart from this regime and consider reference processes described by a multivariate Ornstein-Uhlenbeck process with generic drift matrix $\mathbf{A} \in \mathbb{R}^{d \times d}$. When $\mathbf{A}$ is asymmetric, this corresponds to a non-equilibrium system in which non-gradient forces are at play: this is important for applications to biological systems, which naturally exist out-of-equilibrium. In the case of Gaussian marginals, we derive explicit expressions that characterise exactly the solution of both the static and dynamic Schr\"odinger bridge. For general marginals, we propose mvOU-OTFM, a simulation-free algorithm based on flow and score matching for learning an approximation to the Schr\"odinger bridge. In application to a range of problems based on synthetic and real single cell data, we demonstrate that mvOU-OTFM achieves higher accuracy compared to competing methods, whilst being significantly faster to train.
Authors: Brian Christian, Hannah Rose Kirk, Jessica A. F. Thompson, Christopher Summerfield, Tsvetomira Dumbalska
Abstract: Reward modeling has emerged as a crucial component in aligning large language models with human values. Significant attention has focused on using reward models as a means for fine-tuning generative models. However, the reward models themselves -- which directly encode human value judgments by turning prompt-response pairs into scalar rewards -- remain relatively understudied. We present a novel approach to reward model interpretability through exhaustive analysis of their responses across their entire vocabulary space. By examining how different reward models score every possible single-token response to value-laden prompts, we uncover several striking findings: (i) substantial heterogeneity between models trained on similar objectives, (ii) systematic asymmetries in how models encode high- vs low-scoring tokens, (iii) significant sensitivity to prompt framing that mirrors human cognitive biases, and (iv) overvaluation of more frequent tokens. We demonstrate these effects across ten recent open-source reward models of varying parameter counts and architectures. Our results challenge assumptions about the interchangeability of reward models, as well as their suitability as proxies of complex and context-dependent human values. We find that these models can encode concerning biases toward certain identity groups, which may emerge as unintended consequences of harmlessness training -- distortions that risk propagating through the downstream large language models now deployed to millions.
Authors: Zeyi Liu, Shuang Li, Eric Cousineau, Siyuan Feng, Benjamin Burchfiel, Shuran Song
Abstract: Understanding and predicting dynamics of the physical world can enhance a robot's ability to plan and interact effectively in complex environments. While recent video generation models have shown strong potential in modeling dynamic scenes, generating videos that are both temporally coherent and geometrically consistent across camera views remains a significant challenge. To address this, we propose a 4D video generation model that enforces multi-view 3D consistency of generated videos by supervising the model with cross-view pointmap alignment during training. Through this geometric supervision, the model learns a shared 3D scene representation, enabling it to generate spatio-temporally aligned future video sequences from novel viewpoints given a single RGB-D image per view, and without relying on camera poses as input. Compared to existing baselines, our method produces more visually stable and spatially aligned predictions across multiple simulated and real-world robotic datasets. We further show that the predicted 4D videos can be used to recover robot end-effector trajectories using an off-the-shelf 6DoF pose tracker, yielding robot manipulation policies that generalize well to novel camera viewpoints.
Authors: Sofia Ivolgina, P. Thomas Fletcher, Baba C. Vemuri
Abstract: Batch normalization (BN) is a ubiquitous operation in deep neural networks, primarily used to improve stability and regularization during training. BN centers and scales feature maps using sample means and variances, which are naturally suited for Stein's shrinkage estimation. Applying such shrinkage yields more accurate mean and variance estimates of the batch in the mean-squared-error sense. In this paper, we prove that the Stein shrinkage estimator of the mean and variance dominates over the sample mean and variance estimators, respectively, in the presence of adversarial attacks modeled using sub-Gaussian distributions. Furthermore, by construction, the James-Stein (JS) BN yields a smaller local Lipschitz constant compared to the vanilla BN, implying better regularity properties and potentially improved robustness. This facilitates and justifies the application of Stein shrinkage to estimate the mean and variance parameters in BN and the use of it in image classification and segmentation tasks with and without adversarial attacks. We present SOTA performance results using this Stein-corrected BN in a standard ResNet architecture applied to the task of image classification using CIFAR-10 data, 3D CNN on PPMI (neuroimaging) data, and image segmentation using HRNet on Cityscape data with and without adversarial attacks.
Authors: Jesco Talies, Eric Breitbarth, David Melching
Abstract: Ensuring the trustworthiness and robustness of deep learning models remains a fundamental challenge, particularly in high-stakes scientific applications. In this study, we present a framework called attention-guided training that combines explainable artificial intelligence techniques with quantitative evaluation and domain-specific priors to guide model attention. We demonstrate that domain-specific feedback on model explanations during training can enhance the model's generalization capabilities. We validate our approach on the task of semantic crack tip segmentation in digital image correlation data, which is a key application in the fracture mechanical characterization of materials. By aligning model attention with physically meaningful stress fields, such as those described by Williams' analytical solution, attention-guided training ensures that the model focuses on physically relevant regions. This finally leads to improved generalization and more faithful explanations.
Authors: Stefan Szeider
Abstract: The translation of natural language to formal constraint models requires expertise in the problem domain and modeling frameworks. To explore the effectiveness of agentic workflows, we propose CP-Agent, a Python coding agent that uses the ReAct framework with a persistent IPython kernel. We provide the relevant domain knowledge as a project prompt of under 50 lines. The algorithm works by iteratively executing code, observing the solver's feedback, and refining constraint models based on execution results. We evaluate CP-Agent on 101 constraint programming problems from CP-Bench. We made minor changes to the benchmark to address systematic ambiguities in the problem specifications and errors in the ground-truth models. On the clarified benchmark, CP-Agent achieves perfect accuracy on all 101 problems. Our experiments show that minimal guidance outperforms detailed procedural scaffolding. Our experiments also show that explicit task management tools can have both positive and negative effects on focused modeling tasks.
Authors: Ali Karimi, Hadi Zadeh-Haghighi, Youssef Kora, Christoph Simon
Abstract: Quantum Reservoir Computing (QRC) uses quantum dynamics to efficiently process temporal data. In this work, we investigate a QRC framework based on two coupled Kerr nonlinear oscillators, a system well-suited for time-series prediction tasks due to its complex nonlinear interactions and potentially high-dimensional state space. We explore how its performance in forecasting both linear and nonlinear time-series depends on key physical parameters: input drive strength, Kerr nonlinearity, and oscillator coupling, and analyze the role of entanglement in improving the reservoir's computational performance, focusing on its effect on predicting non-trivial time series. Using logarithmic negativity to quantify entanglement and normalized root mean square error (NRMSE) to evaluate predictive accuracy, our results suggest that entanglement provides a computational advantage on average -- up to a threshold in the input frequency -- that persists under some levels of dissipation and dephasing. In particular, we find that higher dissipation rates can enhance performance. While the entanglement advantage manifests as improvements in both average and worst-case performance, it does not lead to improvements in the best-case error. These findings contribute to the broader understanding of quantum reservoirs for high performance, efficient quantum machine learning and time-series forecasting.
Authors: Jenny Y. Huang, Yunyi Shen, Dennis Wei, Tamara Broderick
Abstract: We propose a method for evaluating the robustness of widely used LLM ranking systems -- variants of a Bradley--Terry model -- to dropping a worst-case very small fraction of preference data. Our approach is computationally fast and easy to adopt. When we apply our method to matchups from popular LLM ranking platforms, including Chatbot Arena and derivatives, we find that the rankings of top-performing models can be remarkably sensitive to the removal of a small fraction of preferences; for instance, dropping just 0.003% of human preferences can change the top-ranked model on Chatbot Arena. Our robustness check identifies the specific preferences most responsible for such ranking flips, allowing for inspection of these influential preferences. We observe that the rankings derived from MT-bench preferences are notably more robust than those from Chatbot Arena, likely due to MT-bench's use of expert annotators and carefully constructed prompts. Finally, we find that neither rankings based on crowdsourced human evaluations nor those based on LLM-as-a-judge preferences are systematically more sensitive than the other.
Authors: Amrapali Pednekar, Alvaro Garrido, Pieter Simoens, Yara Khaluf
Abstract: Drawing parallels between Deep Artificial Neural Networks (DNNs) and biological systems can aid in understanding complex biological mechanisms that are difficult to disentangle. Temporal processing, an extensively researched topic, is one such example that lacks a coherent understanding of its underlying mechanisms. In this study, we investigate temporal processing in a Deep Reinforcement Learning (DRL) agent performing an interval timing task and explore potential biological counterparts to its emergent behavior. The agent was successfully trained to perform a duration production task, which involved marking successive occurrences of a target interval while viewing a video sequence. Analysis of the agent's internal states revealed oscillatory neural activations, a ubiquitous pattern in biological systems. Interestingly, the agent's actions were predominantly influenced by neurons exhibiting these oscillations with high amplitudes and frequencies corresponding to the target interval. Parallels are drawn between the agent's time-keeping strategy and the Striatal Beat Frequency (SBF) model, a biologically plausible model of interval timing. Furthermore, the agent maintained its oscillatory representations and task performance when tested on different video sequences (including a blank video). Thus, once learned, the agent internalized its time-keeping mechanism and showed minimal reliance on its environment to perform the timing task. A hypothesis about the resemblance between this emergent behavior and certain aspects of the evolution of biological processes like circadian rhythms, has been discussed. This study aims to contribute to recent research efforts of utilizing DNNs to understand biological systems, with a particular emphasis on temporal processing.
Authors: Leonidas Bakopoulos, Georgios Chalkiadakis
Abstract: Adaptive exploration methods propose ways to learn complex policies via alternating between exploration and exploitation. An important question for such methods is to determine the appropriate moment to switch between exploration and exploitation and vice versa. This is critical in domains that require the learning of long and complex sequences of actions. In this work, we present a generic adaptive exploration framework that employs uncertainty to address this important issue in a principled manner. Our framework includes previous adaptive exploration approaches as special cases. Moreover, we can incorporate in our framework any uncertainty-measuring mechanism of choice, for instance mechanisms used in intrinsic motivation or epistemic uncertainty-based exploration methods. We experimentally demonstrate that our framework gives rise to adaptive exploration strategies that outperform standard ones across several environments.
Authors: Justus Huebotter, Pablo Lanillos, Marcel van Gerven, Serge Thill
Abstract: Despite recent progress in training spiking neural networks (SNNs) for classification, their application to continuous motor control remains limited. Here, we demonstrate that fully spiking architectures can be trained end-to-end to control robotic arms with multiple degrees of freedom in continuous environments. Our predictive-control framework combines Leaky Integrate-and-Fire dynamics with surrogate gradients, jointly optimizing a forward model for dynamics prediction and a policy network for goal-directed action. We evaluate this approach on both a planar 2D reaching task and a simulated 6-DOF Franka Emika Panda robot with torque control. In direct comparison to non-spiking recurrent baselines trained under the same predictive-control pipeline, the proposed SNN achieves comparable task performance while using substantially fewer parameters. An extensive ablation study highlights the role of initialization, learnable time constants, adaptive thresholds, and latent-space compression as key contributors to stable training and effective control. Together, these findings establish spiking neural networks as a viable and scalable substrate for high-dimensional continuous control, while emphasizing the importance of principled architectural and training design.
Authors: Shivam Kumar, Haotian Xu, Carlos Misael Madrid Padilla, Yuehaw Khoo, Oscar Hernan Madrid Padilla, Daren Wang
Abstract: We study denoising of a third-order tensor when the ground-truth tensor is not necessarily Tucker low-rank. Specifically, we observe $$ Y=X^\ast+Z\in \mathbb{R}^{p_{1} \times p_{2} \times p_{3}}, $$ where $X^\ast$ is the ground-truth tensor, and $Z$ is the noise tensor. We propose a simple variant of the higher-order tensor SVD estimator $\widetilde{X}$. We show that uniformly over all user-specified Tucker ranks $(r_{1},r_{2},r_{3})$, $$ \| \widetilde{X} - X^* \|_{ \mathrm{F}}^2 = O \Big( \kappa^2 \Big\{ r_{1}r_{2}r_{3}+\sum_{k=1}^{3} p_{k} r_{k} \Big\} \; + \; \xi_{(r_{1},r_{2},r_{3})}^2\Big) \quad \text{ with high probability.} $$ Here, the bias term $\xi_{(r_1,r_2,r_3)}$ corresponds to the best achievable approximation error of $X^\ast$ over the class of tensors with Tucker ranks $(r_1,r_2,r_3)$; $\kappa^2$ quantifies the noise level; and the variance term $\kappa^2 \{r_{1}r_{2}r_{3}+\sum_{k=1}^{3} p_{k} r_{k}\}$ scales with the effective number of free parameters in the estimator $\widetilde{X}$. Our analysis achieves a clean rank-adaptive bias--variance tradeoff: as we increase the ranks of estimator $\widetilde{X}$, the bias $\xi(r_{1},r_{2},r_{3})$ decreases and the variance increases. As a byproduct we also obtain a convenient bias-variance decomposition for the vanilla low-rank SVD matrix estimators.
Authors: Zhijian Yang, Noel DSouza, Istvan Megyeri, Xiaojian Xu, Amin Honarmandi Shandiz, Farzin Haddadpour, Krisztian Koos, Laszlo Rusko, Emanuele Valeriano, Bharadwaj Swaninathan, Lei Wu, Parminder Bhatia, Taha Kass-Hout, Erhan Bas
Abstract: Magnetic Resonance Imaging is a critical imaging modality in clinical diagnosis and research, yet its complexity and heterogeneity hinder scalable, generalizable machine learning. Although foundation models have revolutionized language and vision tasks, their application to MRI remains constrained by data scarcity and narrow anatomical focus. We present Decipher-MR, a 3D MRI-specific vision-language foundation model trained on 200,000 MRI series from over 22,000 studies spanning diverse anatomical regions, sequences, and pathologies. Decipher-MR integrates self-supervised vision learning with report-guided text supervision to build robust representations for broad applications. To enable efficient use, Decipher-MR supports a modular design that enables tuning of lightweight, task-specific decoders attached to a frozen pretrained encoder. Following this setting, we evaluate Decipher-MR across disease classification, demographic prediction, anatomical localization, and cross-modal retrieval, demonstrating consistent improvements over existing foundation models and task-specific approaches. These results position Decipher-MR as a versatile foundation for MRI-based AI in clinical and research settings.
Authors: Ting-Kang Wang, Yueh-Po Peng, Li Su, Vincent K. M. Cheung
Abstract: While automatic music transcription is well-established in music information retrieval, most models are limited to transcribing pitch and timing information from audio, and thus omit crucial expressive and instrument-specific nuances. One example is playing technique on the violin, which affords its distinct palette of timbres for maximal emotional impact. Here, we propose VioPTT (Violin Playing Technique-aware Transcription), a lightweight cascade model that directly transcribes violin playing technique in addition to pitch onset and offset. Furthermore, we release MOSA-VPT, a novel, high-quality synthetic violin playing technique dataset to circumvent the need for manually labeled annotations. Leveraging this dataset, our model demonstrated strong generalization to real-world note-level violin technique recordings in addition to achieving state-of-the-art transcription performance. To our knowledge, VioPTT is the first to jointly combine violin transcription and playing technique prediction within a unified framework.
Authors: Egor Gladin, Alexey Kroshnin, Jia-Jie Zhu, Pavel Dvurechensky
Abstract: The LogSumExp function, dual to the Kullback-Leibler (KL) divergence, plays a central role in many important optimization problems, including entropy-regularized optimal transport (OT) and distributionally robust optimization (DRO). In practice, when the number of exponential terms inside the logarithm is large or infinite, optimization becomes challenging since computing the gradient requires differentiating every term. We propose a novel convexity- and smoothness-preserving approximation to LogSumExp that can be efficiently optimized using stochastic gradient methods. This approximation is rooted in a sound modification of the KL divergence in the dual, resulting in a new $f$-divergence called the safe KL divergence. Our experiments and theoretical analysis of the LogSumExp-based stochastic optimization, arising in DRO and continuous OT, demonstrate the advantages of our approach over existing baselines.
Authors: Shigui Li, Wei Chen, Delu Zeng
Abstract: Diffusion models (DMs) excel in image generation but suffer from slow inference and training-inference discrepancies. Although gradient-based solvers for DMs accelerate denoising inference, they often lack theoretical foundations in information transmission efficiency. In this work, we introduce an information-theoretic perspective on the inference processes of DMs, revealing that successful denoising fundamentally reduces conditional entropy in reverse transitions. This principle leads to our key insights into the inference processes: (1) data prediction parameterization outperforms its noise counterpart, and (2) optimizing conditional variance offers a reference-free way to minimize both transition and reconstruction errors. Based on these insights, we propose an entropy-aware variance optimized method for the generative process of DMs, called EVODiff, which systematically reduces uncertainty by optimizing conditional entropy during denoising. Extensive experiments on DMs validate our insights and demonstrate that our method significantly and consistently outperforms state-of-the-art (SOTA) gradient-based solvers. For example, compared to the DPM-Solver++, EVODiff reduces the reconstruction error by up to 45.5\% (FID improves from 5.10 to 2.78) at 10 function evaluations (NFE) on CIFAR-10, cuts the NFE cost by 25\% (from 20 to 15 NFE) for high-quality samples on ImageNet-256, and improves text-to-image generation while reducing artifacts. Code is available at https://github.com/ShiguiLi/EVODiff.
Authors: Muquan Li, Hang Gou, Dongyang Zhang, Shuang Liang, Xiurui Xie, Deqiang Ouyang, Ke Qin
Abstract: The growing demand for efficient deep learning has positioned dataset distillation as a pivotal technique for compressing training dataset while preserving model performance. However, existing inner-loop optimization methods for dataset distillation typically rely on random truncation strategies, which lack flexibility and often yield suboptimal results. In this work, we observe that neural networks exhibit distinct learning dynamics across different training stages-early, middle, and late-making random truncation ineffective. To address this limitation, we propose Automatic Truncated Backpropagation Through Time (AT-BPTT), a novel framework that dynamically adapts both truncation positions and window sizes according to intrinsic gradient behavior. AT-BPTT introduces three key components: (1) a probabilistic mechanism for stage-aware timestep selection, (2) an adaptive window sizing strategy based on gradient variation, and (3) a low-rank Hessian approximation to reduce computational overhead. Extensive experiments on CIFAR-10, CIFAR-100, Tiny-ImageNet, and ImageNet-1K show that AT-BPTT achieves state-of-the-art performance, improving accuracy by an average of 6.16% over baseline methods. Moreover, our approach accelerates inner-loop optimization by 3.9x while saving 63% memory cost.
Authors: Seng Pei Liew, Takuya Kato
Abstract: Reusing pretrained base models for further pretraining, such as continual pretraining or model growth, is promising at reducing the cost of training language models from scratch. However, the effectiveness remains unclear, especially when applied to overtrained base models. In this work, we empirically study the scaling properties of model reuse and find that the scaling efficiency diminishes in a predictable manner: The scaling exponent with respect to second-stage training tokens decreases logarithmically with the number of tokens used to pretrain the base model. The joint dependence on first- and second-stage tokens is accurately modeled by a simple scaling law. Such saturation effect reveals a fundamental trade-off in multi-stage pretraining strategies: the more extensively a base model is pretrained, the less benefit additional pretraining provides. Our findings provide practical insights for efficient language model training and raise important considerations for the reuse of overtrained models.
Authors: Chengshuai Zhao, Shu Wan, Paras Sheth, Karan Patwa, K. Sel\c{c}uk Candan, Huan Liu
Abstract: The proliferation of online hate speech poses a significant threat to the harmony of the web. While explicit hate is easily recognized through overt slurs, implicit hate speech is often conveyed through sarcasm, irony, stereotypes, or coded language -- making it harder to detect. Existing hate speech detection models, which predominantly rely on surface-level linguistic cues, fail to generalize effectively across diverse stylistic variations. Moreover, hate speech spread on different platforms often targets distinct groups and adopts unique styles, potentially inducing spurious correlations between them and labels, further challenging current detection approaches. Motivated by these observations, we hypothesize that the generation of hate speech can be modeled as a causal graph involving key factors: contextual environment, creator motivation, target, and style. Guided by this graph, we propose CADET, a causal representation learning framework that disentangles hate speech into interpretable latent factors and then controls confounders, thereby isolating genuine hate intent from superficial linguistic cues. Furthermore, CADET allows counterfactual reasoning by intervening on style within the latent space, naturally guiding the model to robustly identify hate speech in varying forms. CADET demonstrates superior performance in comprehensive experiments, highlighting the potential of causal priors in advancing generalizable hate speech detection.
Authors: Jinbin Zhang, Nasib Ullah, Erik Schultheis, Rohit Babbar
Abstract: Speculative decoding accelerates LLM inference by letting a small drafter propose multiple tokens which a large target model verifies once per speculation step. As vocabularies scale past 10e5 tokens,verification cost in the target model is largely unchanged, but the drafter can become bottlenecked by its O(|V|d) output projection. Recent approaches (e.g., FR-Spec, VocabTrim) mitigate this by restricting drafting to a fixed, frequency-ranked shortlist; however, such static truncation is corpus-dependent and suppresses rare or domain-specific tokens, reducing acceptance and limiting speedups. We propose DynaSpec, a context-dependent dynamic shortlisting mechanism for large-vocabulary speculative decoding. DynaSpec trains lightweight meta-classifiers that route each context to a small set of coarse token clusters; the union of the top-selected clusters defines the drafter's shortlist, while the target model still verifies over the full vocabulary, preserving exactness. Systems-wise, routing is overlapped with draft computation via parallel execution streams, reducing end-to-end overhead. Across standard speculative decoding benchmarks, DynaSpec consistently improves mean accepted length-recovering 98.4% of full-vocabulary performance for Llama-3-8B versus 93.6% for fixed-shortlist baselines-and achieves up to a 2.23x throughput gain compared to 1.91x for static approaches on the dataset with rare tokens.
Authors: Elias Hossain, Mehrdad Shoeibi, Ivan Garibay, Niloofar Yousefi
Abstract: The interpretation of gene clusters derived from RNA sequencing (RNA-seq) experiments remains a persistent challenge in functional genomics, particularly in antimicrobial resistance studies where mechanistic context is essential. While clustering methods effectively identify co-expressed gene modules, their interpretation typically relies on enrichment statistics and manual literature review, limiting transparency, reproducibility, and scalability. We present BioGen, an agentic framework for post hoc interpretation of RNA-seq gene clusters that emphasizes evidence-grounded and traceable biological reasoning. Rather than introducing new predictive models or clustering algorithms, BioGen organizes existing biomedical knowledge through a structured pipeline that integrates literature retrieval, hypothesis formulation, and critic-based validation. The framework enforces explicit linkage between interpretive claims and external sources such as PubMed and UniProt, enabling systematic assessment of factual grounding and semantic consistency. We apply BioGen to RNA-seq data from Salmonella enterica, demonstrating that it produces concise, literature-supported cluster-level interpretations related to efflux regulation, virulence, and metabolic adaptation. Comparative and ablation analyses indicate that retrieval augmentation and critic-based filtering reduce unsupported statements relative to unconstrained large language model baselines albeit at the cost of reduced interpretive coverage. These results highlight the role of architectural constraints and verification logic in improving reliability of automated biological interpretation. Overall, BioGen is intended as an interpretive support layer that complements existing transcriptomic analysis workflows by improving auditability and reproducibility of RNA-seq cluster interpretation, rather than as a standalone discovery or predictive system.
Authors: Zhanhong He, Hanyu Meng, David Huang, Roberto Togneri
Abstract: Estimating piano dynamic from audio recordings is a fundamental challenge in computational music analysis. In this paper, we propose an efficient multi-task network that jointly predicts dynamic levels, change points, beats, and downbeats from a shared latent representation. These four targets form the metrical structure of dynamics in the music score. Inspired by recent vocal dynamic research, we use a multi-scale network as the backbone, which takes Bark-scale specific loudness as the input feature. Compared to log-Mel as input, this reduces model size from 14.7 M to 0.5 M, enabling long sequential input. We use a 60-second audio length in audio segmentation, which doubled the length of beat tracking commonly used. Evaluated on the public MazurkaBL dataset, our model achieves state-of-the-art results across all tasks. This work sets a new benchmark for piano dynamic estimation and delivers a powerful and compact tool, paving the way for large-scale, resource-efficient analysis of musical expression.
Authors: Domenico Amalfitano, Andreas Metzger, Marco Autili, Tommaso Fulcini, Tobias Hey, Jan Keim, Patrizio Pelliccione, Vincenzo Scotti, Anne Koziolek, Raffaela Mirandola, Andreas Vogelsang
Abstract: Generative AI (GenAI) is rapidly transforming software engineering (SE) practices, influencing how SE processes are executed, as well as how software systems are developed, operated, and evolved. This paper applies design science research to build a roadmap for GenAI-augmented SE. The process consists of three cycles that incrementally integrate multiple sources of evidence, including collaborative discussions from the FSE 2025 "Software Engineering 2030" workshop, rapid literature reviews, and external feedback sessions involving peers. McLuhan's tetrads were used as a conceptual instrument to systematically capture the transforming effects of GenAI on SE processes and software products.The resulting roadmap identifies four fundamental forms of GenAI augmentation in SE and systematically characterizes their related research challenges and opportunities. These insights are then consolidated into a set of future research directions. By grounding the roadmap in a rigorous multi-cycle process and cross-validating it among independent author teams and peers, the study provides a transparent and reproducible foundation for analyzing how GenAI affects SE processes, methods and tools, and for framing future research within this rapidly evolving area. Based on these findings, the article finally makes ten predictions for SE in the year 2030.
Authors: Naqueeb Ahmad Warsi, Ayanava Dasgupta, Masahito Hayashi
Abstract: We study quantum differential privacy (QDP) by defining a notion of the order of informativeness between pairs of quantum states. In particular, we show that if the hypothesis testing divergence of one pair dominates over that of the other pair, then this dominance holds for every $f$-divergence. This approach completely characterizes $(\varepsilon,\delta)$-QDP mechanisms by identifying the most informative $(\varepsilon,\delta)$-DP quantum state pairs. We apply this to study precise limits for privatized hypothesis testing and privatized quantum parameter estimation, including tight upper-bounds on the quantum Fisher information under QDP. Finally, we establish near-optimal contraction bounds for differentially private quantum channels with respect to the hockey-stick divergence.
Authors: Yejing Wang, Shengyu Zhou, Jinyu Lu, Ziwei Liu, Langming Liu, Maolin Wang, Wenlin Zhang, Feng Li, Wenbo Su, Pengjie Wang, Jian Xu, Xiangyu Zhao
Abstract: Generative Recommendation (GR), powered by Large Language Models (LLMs), represents a promising new paradigm for industrial recommender systems. However, their practical application is severely hindered by high inference latency, which makes them infeasible for high-throughput, real-time services and limits their overall business impact. While Speculative Decoding (SD) has been proposed to accelerate the autoregressive generation process, existing implementations introduce new bottlenecks: they typically require separate draft models and model-based verifiers, requiring additional training and increasing the latency overhead. In this paper, we address these challenges with NEZHA, a novel architecture that achieves hyperspeed decoding for GR systems without sacrificing recommendation quality. Specifically, NEZHA integrates a nimble autoregressive draft head directly into the primary model, enabling efficient self-drafting. This design, combined with a specialized input prompt structure, preserves the integrity of sequence-to-sequence generation. Furthermore, to tackle the critical problem of hallucination, a major source of performance degradation, we introduce an efficient, model-free verifier based on a hash set. We demonstrate the effectiveness of NEZHA through extensive experiments on public datasets and have successfully deployed the system on Taobao since October 2025, driving the billion-level advertising revenue and serving hundreds of millions of daily active users.
Authors: Fabian Paischer, Leo Cotteleer, Yann Dreze, Richard Kurle, Dylan Rubini, Maurits Bleeker, Tobias Kronlachner, Johannes Brandstetter
Abstract: The widespread use of neural surrogates in automotive aerodynamics, enabled by datasets such as DrivAerML and DrivAerNet++, has primarily focused on bluff-body flows with large wakes. Extending these methods to aerospace, particularly in the transonic regime, remains challenging due to the high level of non-linearity of compressible flows and 3D effects such as wingtip vortices. Existing aerospace datasets predominantly focus on 2D airfoils, neglecting these critical 3D phenomena. To address this gap, we present a new dataset of CFD simulations for 3D wings in the transonic regime. The dataset comprises volumetric and surface-level fields for around $30,000$ samples with unique geometry and inflow conditions. This allows computation of lift and drag coefficients, providing a foundation for data-driven aerodynamic optimization of the drag-lift Pareto front. We evaluate several state-of-the-art neural surrogates on our dataset, including Transolver and AB-UPT, focusing on their out-of-distribution (OOD) generalization over geometry and inflow variations. AB-UPT demonstrates strong performance for transonic flowfields and reproduces physically consistent drag-lift Pareto fronts even for unseen wing configurations. Our results demonstrate that AB-UPT can approximate drag-lift Pareto fronts for unseen geometries, highlighting its potential as an efficient and effective tool for rapid aerodynamic design exploration. To facilitate future research, we open-source our dataset at https://huggingface.co/datasets/EmmiAI/Emmi-Wing.
Authors: Melissa Z. Pan, Negar Arabzadeh, Riccardo Cogo, Yuxuan Zhu, Alexander Xiong, Lakshya A Agrawal, Huanzhi Mao, Emma Shen, Sid Pallerla, Liana Patel, Shu Liu, Tianneng Shi, Xiaoyuan Liu, Jared Quincy Davis, Emmanuele Lacavalla, Alessandro Basile, Shuyi Yang, Paul Castro, Daniel Kang, Joseph E. Gonzalez, Koushik Sen, Dawn Song, Ion Stoica, Matei Zaharia, Marquita Ellis
Abstract: LLM-based agents already operate in production across many industries, yet we lack an understanding of what technical methods make deployments successful. We present the first systematic study of Measuring Agents in Production, MAP, using first-hand data from agent developers. We conducted 20 case studies via in-depth interviews and surveyed 306 practitioners across 26 domains. We investigate why organizations build agents, how they build them, how they evaluate them, and their top development challenges. Our study finds that production agents are built using simple, controllable approaches: 68% execute at most 10 steps before human intervention, 70% rely on prompting off-the-shelf models instead of weight tuning, and 74% depend primarily on human evaluation. Reliability (consistent correct behavior over time) remains the top development challenge, which practitioners currently address through systems-level design. MAP documents the current state of production agents, providing the research community with visibility into deployment realities and under-explored research avenues.
Authors: Tingwei Cao, Yan Xu
Abstract: High penetration of renewable energy sources (RES) introduces significant uncertainty and intermittency into microgrid operations, posing challenges to economic and reliable scheduling. To address this, this paper proposes an end-to-end decision-focused framework that jointly optimizes probabilistic forecasting and robust operation for microgrids. A multilayer encoder-decoder (MED) probabilistic forecasting model is integrated with a two-stage robust optimization (TSRO) model involving direct load control (DLC) through a differentiable decision pathway, enabling gradient-based feedback from operational outcomes to improve forecasting performance. Unlike conventional sequential approaches, the proposed method aligns forecasting accuracy with operational objectives by directly minimizing decision regret via a surrogate smart predict-then-optimize (SPO) loss function. This integration ensures that probabilistic forecasts are optimized for downstream decisions, enhancing both economic efficiency and robustness. Case studies on modified IEEE 33-bus and 69-bus systems demonstrate that the proposed framework achieves superior forecasting accuracy and operational performance, reducing total and net operation costs by up to 18% compared with conventional forecasting and optimization combinations. The results verify the effectiveness and scalability of the end-to-end decision-focused approach for resilient and cost-efficient microgrid management under uncertainty.
Authors: Elham Kiyani, Amit Makarand Deshpande, Madhura Limaye, Zhiwei Gao, Zongren Zou, Sai Aditya Pradeep, Srikanth Pilla, Gang Li, Zhen Li, George Em Karniadakis
Abstract: Fiber reinforcement and polymer matrix respond differently to manufacturing conditions due to mismatch in coefficient of thermal expansion and matrix shrinkage during curing of thermosets. These heterogeneities generate residual stresses over multiple length scales, whose partial release leads to process-induced deformation (PID), requiring accurate prediction and mitigation via optimized non-isothermal cure cycles. This study considers a unidirectional AS4 carbon fiber/amine bi-functional epoxy prepreg and models PID using a two-mechanism framework that accounts for thermal expansion/shrinkage and cure shrinkage. The model is validated against manufacturing trials to identify initial and boundary conditions, then used to generate PID responses for a diverse set of non-isothermal cure cycles (time-temperature profiles). Building on this physics-based foundation, we develop a data-driven surrogate based on Deep Operator Networks (DeepONets). A DeepONet is trained on a dataset combining high-fidelity simulations with targeted experimental measurements of PID. We extend this to a Feature-wise Linear Modulation (FiLM) DeepONet, where branch-network features are modulated by external parameters, including the initial degree of cure, enabling prediction of time histories of degree of cure, viscosity, and deformation. Because experimental data are available only at limited time instances (for example, final deformation), we use transfer learning: simulation-trained trunk and branch networks are fixed and only the final layer is updated using measured final deformation. Finally, we augment the framework with Ensemble Kalman Inversion (EKI) to quantify uncertainty under experimental conditions and to support optimization of cure schedules for reduced PID in composites.
Authors: Emmy Liu, Varun Gangal, Chelsea Zou, Michael Yu, Xiaoqi Huang, Alex Chang, Zhuofu Tao, Karan Singh, Sachin Kumar, Steven Y. Feng
Abstract: Despite numerous attempts at mitigation since the inception of language models, hallucinations remain a persistent problem even in today's frontier LLMs. Why is this? We review existing definitions of hallucination and fold them into a single, unified definition wherein prior definitions are subsumed. We argue that hallucination can be unified by defining it as simply inaccurate (internal) world modeling, in a form where it is observable to the user. For example, stating a fact which contradicts a knowledge base OR producing a summary which contradicts the source. By varying the reference world model and conflict policy, our framework unifies prior definitions. We argue that this unified view is useful because it forces evaluations to clarify their assumed reference "world", distinguishes true hallucinations from planning or reward errors, and provides a common language for comparison across benchmarks and discussion of mitigation strategies. Building on this definition, we outline plans for a family of benchmarks using synthetic, fully specified reference world models to stress-test and improve world modeling components.
Authors: Benjamin Rozonoyer, Chong You, Michael Boratko, Himanshu Jain, Nilesh Gupta, Srinadh Bhojanapalli, Andrew McCallum, Felix Yu
Abstract: The success of Large Language Models (LLMs) has motivated a shift toward generative approaches to retrieval and ranking, aiming to supersede classical Dual Encoders (DEs) and Cross Encoders (CEs). A prominent paradigm is pointwise Autoregressive Ranking (ARR), where an LLM generates document identifiers (docIDs) token-by-token to enable ranking via beam search. ARR offers the promise of superior expressivity compared to DEs while avoiding the prohibitive computational cost of CEs. However, a formal theoretical foundation for this expressive power has been missing. Moreover, the standard next-token prediction loss is rank-agnostic and inappropriate for finetuning an LLM for ranking tasks. In this paper, we first prove that the expressive capacity of ARR is strictly superior to DEs. While a DE requires an embedding dimension that grows linearly with corpus size to achieve arbitrary rankings, ARR can solve it with a constant hidden dimension. We then propose SToICaL (Simple Token-Item Calibrated Loss), a generalized rank-aware training loss for LLM finetuning. By using item-level reweighting and prefix-tree marginalization, we distribute probability mass over valid docID tokens based on their ground-truth relevance. Experiments on WordNet and ESCI datasets verify that our loss suppresses invalid docID generations and significantly improves ranking metrics beyond top-1 retrieval.
Authors: Dror Jacoby, Yanzhi Li, Shuyue Yu, Nicola Di Cicco, Hagit Messer, Gil Zussman, Igor Kadota
Abstract: Millimeter-wave (mmWave) links are increasingly utilized in wireless x-haul transport to meet growing service demands. However, the inherent susceptibility of mmWave links to weather-related attenuation creates uncertainty about future network capacity which can significantly affect Quality of Service (QoS). This creates a critical challenge: how to make admission control decisions for slices with QoS requirements, balancing acceptance rewards against the risk of future QoS-violation penalties due to capacity uncertainty? To address this, we develop a proactive slice admission control framework that tightly integrates: (i) a predictor that leverages historical link measurements to forecast short-term attenuation and quantify uncertainty; and (ii) an admission control algorithm that incorporates both the predictions and uncertainties to maximize rewards and minimize QoS-violation penalties. We compare our framework against baseline, state-of-the-art, and idealized oracle algorithms using real-world mmWave x-haul data and residential traffic traces. Simulations suggest that our framework can achieve revenues that are 250% larger than baseline algorithms and 75% larger than state-of-the-art algorithms.
Authors: Xin Jin, Yichuan Zhong, Yapeng Tian
Abstract: Current text-conditioned diffusion editors handle single object replacement well but struggle when a new object and a new style must be introduced simultaneously. We present Twin-Prompt Attention Blend (TP-Blend), a lightweight training-free framework that receives two separate textual prompts, one specifying a blend object and the other defining a target style, and injects both into a single denoising trajectory. TP-Blend is driven by two complementary attention processors. Cross-Attention Object Fusion (CAOF) first averages head-wise attention to locate spatial tokens that respond strongly to either prompt, then solves an entropy-regularised optimal transport problem that reassigns complete multi-head feature vectors to those positions. CAOF updates feature vectors at the full combined dimensionality of all heads (e.g., 640 dimensions in SD-XL), preserving rich cross-head correlations while keeping memory low. Self-Attention Style Fusion (SASF) injects style at every self-attention layer through Detail-Sensitive Instance Normalization. A lightweight one-dimensional Gaussian filter separates low- and high-frequency components; only the high-frequency residual is blended back, imprinting brush-stroke-level texture without disrupting global geometry. SASF further swaps the Key and Value matrices with those derived from the style prompt, enforcing context-aware texture modulation that remains independent of object fusion. Extensive experiments show that TP-Blend produces high-resolution, photo-realistic edits with precise control over both content and appearance, surpassing recent baselines in quantitative fidelity, perceptual quality, and inference speed.
Authors: Anush Lakshman S, Adam Haroon, Beiwen Li
Abstract: Machine learning approaches for fringe projection profilometry (FPP) are hindered by the lack of large, diverse datasets and standardized benchmarking protocols. This paper introduces the first open-source, photorealistic synthetic dataset for FPP, generated using NVIDIA Isaac Sim, comprising 15,600 fringe images and 300 depth reconstructions across 50 objects. We apply this dataset to single-shot FPP, where models predict 3D depth maps directly from individual fringe images without temporal phase shifting. Through systematic ablation studies, we identify optimal learning configurations for long-range (1.5-2.1 m) depth prediction. We compare three depth normalization strategies and show that individual normalization, which decouples object shape from absolute scale, yields a 9.1x improvement in object reconstruction accuracy over raw depth. We further show that removing background fringe patterns severely degrades performance across all normalizations, demonstrating that background fringes provide essential spatial phase reference rather than noise. We evaluate six loss functions and identify Hybrid L1 loss as optimal. Using the best configuration, we benchmark four architectures and find UNet achieves the strongest performance, though errors remain far above the sub-millimeter accuracy of classical FPP. The small performance gap between architectures indicates that the dominant limitation is information deficit rather than model design: single fringe images lack sufficient information for accurate depth recovery without explicit phase cues. This work provides a standardized benchmark and evidence motivating hybrid approaches combining phase-based FPP with learned refinement. The dataset is available at https://huggingface.co/datasets/aharoon/fpp-ml-bench and code at https://github.com/AnushLak/fpp-ml-bench.
URLs: https://huggingface.co/datasets/aharoon/fpp-ml-bench, https://github.com/AnushLak/fpp-ml-bench.
Authors: Yuxi Liu, Yipeng Hu, Zekun Zhang, Kunze Jiang, Kun Yuan
Abstract: While Diffusion Transformers (DiTs) have achieved notable progress in video generation, this long-sequence generation task remains constrained by the quadratic complexity inherent to self-attention mechanisms, creating significant barriers to practical deployment. Although sparse attention methods attempt to address this challenge, existing approaches either rely on oversimplified static patterns or require computationally expensive sampling operations to achieve dynamic sparsity, resulting in inaccurate pattern predictions and degraded generation quality. To overcome these limitations, we propose a \underline{\textbf{M}}ixture-\underline{\textbf{O}}f-\underline{\textbf{D}}istribution \textbf{DiT} (\textbf{MOD-DiT}), a novel sampling-free dynamic attention framework that accurately models evolving attention patterns through a two-stage process. First, MOD-DiT leverages prior information from early denoising steps and adopts a {distributed mixing approach} to model an efficient linear approximation model, which is then used to predict mask patterns for a specific denoising interval. Second, an online block masking strategy dynamically applies these predicted masks while maintaining historical sparsity information, eliminating the need for repetitive sampling operations. Extensive evaluations demonstrate consistent acceleration and quality improvements across multiple benchmarks and model architectures, validating MOD-DiT's effectiveness for efficient, high-quality video generation while overcoming the computational limitations of traditional sparse attention approaches.
Authors: Yiyao Yang
Abstract: Uncertainty estimation in machine learning has traditionally focused on the prediction stage, aiming to quantify confidence in model outputs while treating learned representations as deterministic and reliable by default. In this work, we challenge this implicit assumption and argue that reliability should be regarded as a first-class property of learned representations themselves. We propose a principled framework for reliable representation learning that explicitly models representation-level uncertainty and leverages structural constraints as inductive biases to regularize the space of feasible representations. Our approach introduces uncertainty-aware regularization directly in the representation space, encouraging representations that are not only predictive but also stable, well-calibrated, and robust to noise and structural perturbations. Structural constraints, such as sparsity, relational structure, or feature-group dependencies, are incorporated to define meaningful geometry and reduce spurious variability in learned representations, without assuming fully correct or noise-free structure. Importantly, the proposed framework is independent of specific model architectures and can be integrated with a wide range of representation learning methods.
Authors: Yonghan Jung, Bogyeong Kang
Abstract: We develop a data-driven information-theoretic framework for sharp partial identification of causal effects under unmeasured confounding. Existing approaches often rely on restrictive assumptions, such as bounded or discrete outcomes; require external inputs (for example, instrumental variables, proxies, or user-specified sensitivity parameters); necessitate full structural causal model specifications; or focus solely on population-level averages while neglecting covariate-conditional treatment effects. We overcome all four limitations simultaneously by establishing novel information-theoretic, data-driven divergence bounds. Our key theoretical contribution shows that the f-divergence between the observational distribution P(Y | A = a, X = x) and the interventional distribution P(Y | do(A = a), X = x) is upper bounded by a function of the propensity score alone. This result enables sharp partial identification of conditional causal effects directly from observational data, without requiring external sensitivity parameters, auxiliary variables, full structural specifications, or outcome boundedness assumptions. For practical implementation, we develop a semiparametric estimator satisfying Neyman orthogonality (Chernozhukov et al., 2018), which ensures square-root-n consistent inference even when nuisance functions are estimated using flexible machine learning methods. Simulation studies and real-world data applications, implemented in the GitHub repository (https://github.com/yonghanjung/Information-Theretic-Bounds), demonstrate that our framework provides tight and valid causal bounds across a wide range of data-generating processes.
URLs: https://github.com/yonghanjung/Information-Theretic-Bounds),
Authors: Guilin Zhang, Kai Zhao, Jeffrey Friedman, Xu Chu
Abstract: Large Language Models (LLMs) are increasingly used to generate natural-language explanations in recommender systems, acting as explanation agents that reason over user behavior histories. While prior work has focused on explanation fluency and relevance under fixed inputs, the robustness of LLM-generated explanations to realistic user behavior noise remains largely unexplored. In real-world web platforms, interaction histories are inherently noisy due to accidental clicks, temporal inconsistencies, missing values, and evolving preferences, raising concerns about explanation stability and user trust. We present RobustExplain, the first systematic evaluation framework for measuring the robustness of LLM-generated recommendation explanations. RobustExplain introduces five realistic user behavior perturbations evaluated across multiple severity levels and a multi-dimensional robustness metric capturing semantic, keyword, structural, and length consistency. Our goal is to establish a principled, task-level evaluation framework and initial robustness baselines, rather than to provide a comprehensive leaderboard across all available LLMs. Experiments on four representative LLMs (7B--70B) show that current models exhibit only moderate robustness, with larger models achieving up to 8% higher stability. Our results establish the first robustness benchmarks for explanation agents and highlight robustness as a critical dimension for trustworthy, agent-driven recommender systems at web scale.
Authors: Guilin Zhang, Kai Zhao, Jeffrey Friedman, Xu Chu
Abstract: Recommendation systems must optimize multiple objectives while satisfying hard business constraints such as fairness and coverage. For example, an e-commerce platform may require every recommendation list to include items from multiple sellers and at least one newly listed product; violating such constraints--even once--is unacceptable in production. Prior work on multi-objective recommendation and recent LLM-based recommender agents largely treat constraints as soft penalties or focus on item scoring and interaction, leading to frequent violations in real-world deployments. How to leverage LLMs for coordinating constrained optimization in recommendation systems remains underexplored. We propose DualAgent-Rec, an LLM-coordinated dual-agent framework for constrained multi-objective e-commerce recommendation. The framework separates optimization into an Exploitation Agent that prioritizes accuracy under hard constraints and an Exploration Agent that promotes diversity through unconstrained Pareto search. An LLM-based coordinator adaptively allocates resources between agents based on optimization progress and constraint satisfaction, while an adaptive epsilon-relaxation mechanism guarantees feasibility of final solutions. Experiments on the Amazon Reviews 2023 dataset demonstrate that DualAgent-Rec achieves 100% constraint satisfaction and improves Pareto hypervolume by 4-6% over strong baselines, while maintaining competitive accuracy-diversity trade-offs. These results indicate that LLMs can act as effective orchestration agents for deployable and constraint-compliant recommendation systems.
Authors: Ziang Zheng, Kai Feng, Yi Nie, Shentao Qin
Abstract: Humanoid control often leverages motion priors from human demonstrations to encourage natural behaviors. However, such demonstrations are frequently suboptimal or misaligned with robotic tasks due to embodiment differences, retargeting errors, and task-irrelevant variations, causing na\"ive imitation to degrade task performance. Conversely, task-only reinforcement learning admits many task-optimal solutions, often resulting in unnatural or unstable motions. This exposes a fundamental limitation of linear reward mixing in adversarial imitation learning. We propose \emph{Task-Centric Motion Priors} (TCMP), a task-priority adversarial imitation framework that treats imitation as a conditional regularizer rather than a co-equal objective. TCMP maximizes task improvement while incorporating imitation signals only when they are compatible with task progress, yielding an adaptive, geometry-aware update that preserves task-feasible descent and suppresses harmful imitation under misalignment. We provide theoretical analysis of gradient conflict and task-priority stationary points, and validate our claims through humanoid control experiments demonstrating robust task performance with consistent motion style under noisy demonstrations.
Authors: Kei Saito
Abstract: Large language models exhibit a systematic tendency toward early semantic commitment: given ambiguous input, they collapse multiple valid interpretations into a single response before sufficient context is available. We present a formal framework for text-to-state mapping ($\phi: \mathcal{T} \to \mathcal{S}$) that transforms natural language into a non-collapsing state space where multiple interpretations coexist. The mapping decomposes into three stages: conflict detection, interpretation extraction, and state construction. We instantiate $\phi$ with a hybrid extraction pipeline combining rule-based segmentation for explicit conflict markers (adversative conjunctions, hedging expressions) with LLM-based enumeration of implicit ambiguity (epistemic, lexical, structural). On a test set of 68 ambiguous sentences, the resulting states preserve interpretive multiplicity: mean state entropy $H = 1.087$ bits across ambiguity categories, compared to $H = 0$ for collapse-based baselines. We additionally instantiate the rule-based conflict detector for Japanese markers to illustrate cross-lingual portability. This framework extends Non-Resolution Reasoning (NRR) by providing the missing algorithmic bridge between text and the NRR state space, enabling architectural collapse deferment in LLM inference.
Authors: Rapha\"el Langevin
Abstract: Finite mixture models are widely used in econometric analyses to capture unobserved heterogeneity. This paper shows that maximum likelihood estimation of finite mixtures of parametric densities can suffer from substantial finite-sample bias in all parameters under mild regularity conditions. The bias arises from the influence of outliers in component densities with unbounded or large support and increases with the degree of overlap among mixture components. I show that maximizing the classification-mixture likelihood function, equipped with a consistent classifier, yields parameter estimates that are less biased than those obtained by standard maximum likelihood estimation (MLE). I then derive the asymptotic distribution of the resulting estimator and provide conditions under which oracle efficiency is achieved. Monte Carlo simulations show that conventional mixture MLE exhibits pronounced finite-sample bias, which diminishes as the sample size or the statistical distance between component densities tends to infinity. The simulations further show that the proposed estimation strategy generally outperforms standard MLE in finite samples in terms of both bias and mean squared errors under relatively weak assumptions. An empirical application to latent group panel structures using health administrative data shows that the proposed approach reduces out-of-sample prediction error by approximately 17.6% relative to the best results obtained from standard MLE procedures.
Authors: Ethan Shen, Danny Tormoen, Saurabh Shah, Ali Farhadi, Tim Dettmers
Abstract: Open-weight coding agents should hold a fundamental advantage over closed-source systems: they can be specialized to private codebases, encoding repository-specific information directly in their weights. Yet the cost and complexity of training has kept this advantage theoretical. We show it is now practical. We present Soft-Verified Efficient Repository Agents (SERA), an efficient method for training coding agents that enables the rapid and cheap creation of agents specialized to private codebases. Using only supervised finetuning (SFT), SERA achieves state-of-the-art results among fully open-source (open data, method, code) models while matching the performance of frontier open-weight models like Devstral-Small-2. Creating SERA models is 26x cheaper than reinforcement learning and 57x cheaper than previous synthetic data methods to reach equivalent performance. Our method, Soft Verified Generation (SVG), generates thousands of trajectories from a single code repository. Combined with cost-efficiency, this enables specialization to private codebases. Beyond repository specialization, we apply SVG to a larger corpus of codebases, generating over 200,000 synthetic trajectories. We use this dataset to provide detailed analysis of scaling laws, ablations, and confounding factors for training coding agents. Overall, we believe our work will greatly accelerate research on open coding agents and showcase the advantage of open-source models that can specialize to private codebases. We release SERA as the first model in Ai2's Open Coding Agents series, along with all our code, data, and Claude Code integration to support the research community.
Authors: Andrew Kyle Lampinen, Yuxuan Li, Eghbal Hosseini, Sangnie Bhardwaj, Murray Shanahan
Abstract: Language model representations often contain linear directions that correspond to high-level concepts. Here, we study the dynamics of these representations: how representations evolve along these dimensions within the context of (simulated) conversations. We find that linear representations can change dramatically over a conversation; for example, information that is represented as factual at the beginning of a conversation can be represented as non-factual at the end and vice versa. These changes are content-dependent; while representations of conversation-relevant information may change, generic information is generally preserved. These changes are robust even for dimensions that disentangle factuality from more superficial response patterns, and occur across different model families and layers of the model. These representation changes do not require on-policy conversations; even replaying a conversation script written by an entirely different model can produce similar changes. However, adaptation is much weaker from simply having a sci-fi story in context that is framed more explicitly as such. We also show that steering along a representational direction can have dramatically different effects at different points in a conversation. These results are consistent with the idea that representations may evolve in response to the model playing a particular role that is cued by a conversation. Our findings may pose challenges for interpretability and steering -- in particular, they imply that it may be misleading to use static interpretations of features or directions, or probes that assume a particular range of features consistently corresponds to a particular ground-truth value. However, these types of representational dynamics also point to exciting new research directions for understanding how models adapt to context.
Authors: Ye Liu, Xu Chen, Wuji Chen, Mang Li
Abstract: In cross-border e-commerce, search relevance modeling faces the dual challenge of extreme linguistic diversity and fine-grained semantic nuances. Existing approaches typically rely on scaling up a single monolithic Large Language Model (LLM). However, our empirical analysis reveals that single models suffer from uneven capability distributions across regions. For example, excelling in English while underperforming in specific Southeast Asian languages. In this work, we shift the paradigm from scaling a single model to orchestrating heterogeneous experts. We propose a scalable Coarse-grained Mixture-of-Experts (MoE) framework that leverages the inherent complementarity of distinct open-source LLMs (e.g., Qwen, Gemma) without expensive pre-training. Unlike standard token-level MoE, our framework dynamically routes entire queries to specialized experts and, crucially, employs an Information-Preserving Concatenation Fusion strategy. We theoretically posit that preserving the distinct embedding manifolds of heterogeneous experts-rather than compressing them via weighted averaging-is essential for capturing complex relevance signals in a multi-model latent space. On datasets spanning six Southeast Asian markets, our MoE improves AUC by 0.72 percentage points over a dense baseline with the same active parameters. Meanwhile, the optimized pipeline achieves 13.72 queries per second (QPS), a 9% throughput improvement.
Authors: Tao Wang, Edgar Dobriban
Abstract: Prediction sets can wrap around any ML model to cover unknown test outcomes with a guaranteed probability. Yet, it remains unclear how to use them optimally for downstream decision-making. Here, we propose a decision-theoretic framework that seeks to minimize the expected loss (risk) against a worst-case distribution consistent with the prediction set's coverage guarantee. We first characterize the minimax optimal policy for a fixed prediction set, showing that it balances the worst-case loss inside the set with a penalty for potential losses outside the set. Building on this, we derive the optimal prediction set construction that minimizes the resulting robust risk subject to a coverage constraint. Finally, we introduce Risk-Optimal Conformal Prediction (ROCP), a practical algorithm that targets these risk-minimizing sets while maintaining finite-sample distribution-free marginal coverage. Empirical evaluations on medical diagnosis and safety-critical decision-making tasks demonstrate that ROCP reduces critical mistakes compared to baselines, particularly when out-of-set errors are costly.
Authors: Kai Yuan, Anthony Zheng, Jia Hu, Divyanshu Sheth, Hemanth Velaga, Kylee Kim, Matteo Guarrera, Besim Avci, Jianhua Li, Xuetao Yin, Rajyashree Mukherjee, Sean Suchter
Abstract: Query Auto-Completion (QAC) suggests query completions as users type, helping them articulate intent and reach results more efficiently. Existing approaches face fundamental challenges: traditional retrieve-and-rank pipelines have limited long-tail coverage and require extensive feature engineering, while recent generative methods suffer from hallucination and safety risks. We present a unified framework that reformulates QAC as end-to-end list generation through Retrieval-Augmented Generation (RAG) and multi-objective Direct Preference Optimization (DPO). Our approach combines three key innovations: (1) reformulating QAC as end-to-end list generation with multi-objective optimization; (2) defining and deploying a suite of rule-based, model-based, and LLM-as-judge verifiers for QAC, and using them in a comprehensive methodology that combines RAG, multi-objective DPO, and iterative critique-revision for high-quality synthetic data; (3) a hybrid serving architecture enabling efficient production deployment under strict latency constraints. Evaluation on a large-scale commercial search platform demonstrates substantial improvements: offline metrics show gains across all dimensions, human evaluation yields +0.40 to +0.69 preference scores, and a controlled online experiment achieves 5.44\% reduction in keystrokes and 3.46\% increase in suggestion adoption, validating that unified generation with RAG and multi-objective alignment provides an effective solution for production QAC. This work represents a paradigm shift to end-to-end generation powered by large language models, RAG, and multi-objective alignment, establishing a production-validated framework that can benefit the broader search and recommendation industry.
Authors: Lin Chen, Samuel Drapeau, Fanghao Shao, Xuekai Zhu, Bo Xue, Yunchong Song, Mathieu Lauri\`ere, Zhouhan Lin
Abstract: Generative Flow Network (GFlowNet) objectives implicitly fix an equal mixing of forward and backward policies, potentially constraining the exploration-exploitation trade-off during training. By further exploring the link between GFlowNets and Markov chains, we establish an equivalence between GFlowNet objectives and Markov chain reversibility, thereby revealing the origin of such constraints, and provide a framework for adapting Markov chain properties to GFlowNets. Building on these theoretical findings, we propose $\alpha$-GFNs, which generalize the mixing via a tunable parameter $\alpha$. This generalization enables direct control over exploration-exploitation dynamics to enhance mode discovery capabilities, while ensuring convergence to unique flows. Across various benchmarks, including Set, Bit Sequence, and Molecule Generation, $\alpha$-GFN objectives consistently outperform previous GFlowNet objectives, achieving up to a $10 \times$ increase in the number of discovered modes.
Authors: Doohyun Kim, Donghwa Kang, Kyungjae Lee, Hyeongboo Baek, Brent Byunghoon Kang
Abstract: The proliferation of retrieval-augmented generation (RAG) has established vector databases as critical infrastructure, yet they introduce severe privacy risks via embedding inversion attacks. Existing paradigms face a fundamental trade-off: optimization-based methods require computationally prohibitive queries, while alignment-based approaches hinge on the unrealistic assumption of accessible in-domain training data. These constraints render them ineffective in strict black-box and cross-domain settings. To dismantle these barriers, we introduce Zero2Text, a novel training-free framework based on recursive online alignment. Unlike methods relying on static datasets, Zero2Text synergizes LLM priors with a dynamic ridge regression mechanism to iteratively align generation to the target embedding on-the-fly. We further demonstrate that standard defenses, such as differential privacy, fail to effectively mitigate this adaptive threat. Extensive experiments across diverse benchmarks validate Zero2Text; notably, on MS MARCO against the OpenAI victim model, it achieves 1.8x higher ROUGE-L and 6.4x higher BLEU-2 scores compared to baselines, recovering sentences from unknown domains without a single leaked data pair.
Authors: DongNyeong Heo, Heeyoul Choi
Abstract: Language models (LMs) are a central component of modern AI systems, and diffusion-based language models (DLMs) have recently emerged as a competitive alternative. Both paradigms rely on word embeddings not only to represent the input sentence, but also to represent the target sentence that backbone models are trained to predict. We argue that such static embedding of the target word is insensitive to neighboring words, encouraging locally accurate word prediction while neglecting global structure across the target sentence. To address this limitation, we propose a continuous sentence representation, termed sentence curve, defined as a spline curve whose control points affect multiple words in the sentence. Based on this representation, we introduce sentence curve language model (SCLM), which extends DLMs to predict sentence curves instead of the static word embeddings. We theoretically show that sentence curve prediction induces a regularization effect that promotes global structure modeling, and characterize how different sentence curve types affect this behavior. Empirically, SCLM achieves SOTA performance among DLMs on IWSLT14 and WMT14, shows stable training without burdensome knowledge distillation, and demonstrates promising potential compared to discrete DLMs on LM1B.
Authors: Shaoheng Xu, Chunyi Sun, Jihui Zhang, Prasanga N. Samarasinghe, Thushara D. Abhayapala
Abstract: Room impulse responses (RIRs) are essential for many acoustic signal processing tasks, yet measuring them densely across space is often impractical. In this work, we propose RIR-Former, a grid-free, one-step feed-forward model for RIR reconstruction. By introducing a sinusoidal encoding module into a transformer backbone, our method effectively incorporates microphone position information, enabling interpolation at arbitrary array locations. Furthermore, a segmented multi-branch decoder is designed to separately handle early reflections and late reverberation, improving reconstruction across the entire RIR. Experiments on diverse simulated acoustic environments demonstrate that RIR-Former consistently outperforms state-of-the-art baselines in terms of normalized mean square error (NMSE) and cosine distance (CD), under varying missing rates and array configurations. These results highlight the potential of our approach for practical deployment and motivate future work on scaling from randomly spaced linear arrays to complex array geometries, dynamic acoustic scenes, and real-world environments.
Authors: Julian Lemmel, Felix Resch, M\'onika Farsang, Ramin Hasani, Daniela Rus, Radu Grosu
Abstract: Deploying pretrained policies in real-world applications presents substantial challenges that fundamentally limit the practical applicability of learning-based control systems. When autonomous systems encounter environmental changes in system dynamics, sensor drift, or task objectives, fixed policies rapidly degrade in performance. We show that employing Real-Time Recurrent Reinforcement Learning (RTRRL), a biologically plausible algorithm for online adaptation, can effectively fine-tune a pretrained policy to improve autonomous agents' performance on driving tasks. We further show that RTRRL synergizes with a recent biologically inspired recurrent network model, the Liquid-Resistance Liquid-Capacitance RNN. We demonstrate the effectiveness of this closed-loop approach in a simulated CarRacing environment and in a real-world line-following task with a RoboRacer car equipped with an event camera.
Authors: Changming Li, Kaixing Zhang, Haoyun Xu, Yingdong Shi, Zheng Zhang, Kaitao Song, Kan Ren
Abstract: Large language models (LLMs) demonstrate strong reasoning abilities in solving complex real-world problems. Yet, the internal mechanisms driving these complex reasoning behaviors remain opaque. Existing interpretability approaches targeting reasoning either identify components (e.g., neurons) correlated with special textual patterns, or rely on human-annotated contrastive pairs to derive control vectors. Consequently, current methods struggle to precisely localize complex reasoning mechanisms or capture sequential influence from model internal workings to the reasoning outputs. In this paper, built on outcome-oriented and sequential-influence-aware principles, we focus on identifying components that have sequential contribution to reasoning behavior where outcomes are cumulated by long-range effects. We propose Integrated Policy Gradient (IPG), a novel framework that attributes reasoning behaviors to model's inner components by propagating compound outcome-based signals such as post reasoning accuracy backward through model inference trajectories. Empirical evaluations demonstrate that our approach achieves more precise localization and enables reliable modulation of reasoning behaviors (e.g., reasoning capability, reasoning strength) across diverse reasoning models.