Machine Learning
Sakana Fugu Technical Report
Yujin Tang, Edoardo Cetin, Jinglue Xu et al. (+11 more)
The capabilities of frontier Large
Language Models (LLMs) continue to advance, with different providers increasingly specializing in distinct domains. This raises a natural next objective: how to combine the individual specializations of various LLMs into a collectively intelligent system. To this end, we report the development of Sakana Fugu, a family of orchestrator models that harness and amplify the capabilities of an LLM
agent team. Fugu models are themselves
language models trained to understand user queries and dynamically devise agentic scaffolds to solve them. Through these adaptive scaffolds, Fugu accesses performance beyond any individual LLM
agent, achieving state-of-the-art results compared to other publicly accessible models across a range of challenging tasks, including SWE-Bench Pro, Terminal Bench, LiveCodeBench, GPQA-Diamond, Humanity's Last Exam, and CharXiv
Reasoning. We release two models: Fugu, which balances performance with latency for everyday use, and Fugu-Ultra, which prioritizes answer quality on the hardest problems. We describe our training paradigm, which encompasses large-scale fine-tuning, evolutionary
algorithms, and reinforcement learning approaches, along with the infrastructure and core design principles that turn these methods into a production system. We hope this report encourages further research into multi-
agent systems and dynamic, query-adaptive agentic scaffolds as a path toward the next frontier of AI capabilities, accessed through collective intelligence.
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All authors Yujin Tang, Edoardo Cetin, Jinglue Xu, Qi Sun, Stefan Nielsen, Vincent Richard, Haruto Goda, Iaroslav Tymchenko, Nhan Nguyen, Hyunin Lee, Mari Ashiga, Shashank Kotyan, So Kuroki, Tarin Clanuwat
Machine Learning
DCD-PFN: A Decoupling-Aware Foundation Model for Causal Discovery
Zhengkang Guan, Yikang Chen, Yi He et al. (+5 more)
Causal discovery is critical for understanding complex data-generating mechanisms, yet traditional
algorithms often struggle with highly non-linear and noisy systems, or suffer from severe computational bottlenecks. Recent tabular foundation models based on Prior-Data Fitted Networks (PFNs) have demonstrated remarkable zero-shot inference capabilities, but their potential for explicit structural causal discovery remains underexplored. To bridge this gap, we propose DCD-PFN, a decoupling-aware foundation model for causal discovery. Instead of directly amortizing global graph reconstruction, DCD-PFN focuses on local causal discovery through a decoupling-based paradigm. Through pre-training on diverse synthetic Structural Causal Models (SCMs), the model learns sample-wise decoupling weights that enable Markov boundary (MB) identification. Furthermore, by leveraging parallelized local discovery, DCD-PFN efficiently reconstructs global causal graphs while remaining grounded in the theoretical foundations of decoupling-based causal discovery. Experiments demonstrate that our foundation model achieves robust zero-shot generalization.
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All authors Zhengkang Guan, Yikang Chen, Yi He, Yunze Tong, Zijing Hu, Haoyuan Qian, Fei Wu, Kun Kuang
Machine Learning · Cross-listed from cs.CV
Real-time pedestrian attribute recognition with YOLOv8 and ResNet18
Houssam El Mir
Pedestrian attribute recognition (PAR) assigns semantic labels to detected pedestrians and is useful in surveillance,
video retrieval, and human-centered graphics applications. This paper presents a two-stage framework in which YOLOv8n detects pedestrians and ResNet18-based models classify gender, estimate apparent age, and predict 61 binary attributes from each pedestrian crop. PETA and PA-100K are combined through semantic attribute mapping, producing a unified training corpus of more than 100,000 pedestrian images while retaining the PETA attribute space. On the reported test splits, the system obtains 99.89% gender classification accuracy, a 4.23-year apparent-age mean absolute error, and 89.96% multi-attribute accuracy with a 36.32% macro F1-score and 58.80% micro F1-score. Runtime measurements indicate 25-30 FPS on an NVIDIA RTX 5060 GPU. The results show that a lightweight detector-classifier pipeline can support real-time PAR, while low macro F1 indicates that rare attributes remain challenging.
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Machine Learning · Cross-listed from stat.ML
Orthogonal Discrepancy Kernels for Learning with Partial Physics
Swapnil Manna, Timothy J. Rogers and Lawrence Bull
We introduce a semi-parametric framework for nonlinear system identification, which decouples discrepancy functions from physics-based components. Orthogonal Gaussian process regression balances sparse parameter selection (the white box) with discrepancy learning (the black box) to produce interpretable models from incomplete physics.
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Machine Learning · Cross-listed from cs.CV
Extraction and Analysis of Multimodal Concepts in Vision Language Models through Sparse Autoencoders
Sergio Lanza, Jae Hee Lee and Stefan Wermter
Vision Language Models (VLMs) have demonstrated impressive performance in tasks requiring joint understanding of images and text, such as image captioning and Visual Question Answering (VQA), but our understanding of their internal processes remains limited. Recently, Sparse Autoencoders (SAEs) have emerged as a promising tool to support the interpretation of concepts encoded in VLMs. However, most SAE-based approaches focus only on textual or visual concepts separately, ignoring
multimodal concepts. This limitation hinders a comprehensive understanding of VLMs, since concepts that integrate both modalities can be misclassified. Moreover, previous visual approaches often produce low-quality visual concept descriptions that are vague or incomplete, limiting their usefulness for understanding model
reasoning. We propose a framework based on SAEs to extract and analyze visual, textual, and
multimodal concepts from VLMs. For each
neuron, we propose a candidate human-interpretable concept and compute the
alignment between the concept and the
dataset samples using cosine similarity scores. Experiments on a VQA
dataset (LLaVA-NeXT) demonstrate that our framework improves visual concept quality by up to 45% compared to existing SAE-based methods, while maintaining high textual concept quality and enabling systematic identification of
multimodal concepts. This work contributes new insights into the conceptual space of VLMs, providing a structured approach to distinguish between visual, textual, and
multimodal concepts. The code is available at https://github.com/PHDLanza/Multidata_SAE
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Machine Learning
TF-SNO: Time-Frequency Gated Spectral Neural Operators for Learning Non-Stationary Partial Differential Equations
Yitian Zhou, Chaoning Zhang, Zhenzhen Huang et al. (+8 more)
Non-stationary partial differential equations (PDEs) arise throughout scientific computing, where the dominant frequency content and energy distribution can drift over time. While efficient in PDE solving, many spectral neural operators apply a shared spectral response across rollout stages, leading to mismatch with time-varying spectra in non-stationary systems. To address this issue, we propose Time-Frequency Gated Spectral Neural Operator (TF-SNO), a state-adaptive framework with learnable time-frequency gating inside spectral blocks. TF-SNO extracts compact frequency-domain and physical-space statistics from the current state to generate modulation coefficients, enabling the spectral response to evolve with the dynamics. TF-SNO learns temporal variation implicitly from the evolving state without introducing an explicit time dimension or time
embedding, keeping the modeling complexity low. We further embed the adaptive operator blocks to accurately capture the multi-scale features, thereby improving long-horizon stability. Experiments on six non-stationary PDE
benchmarks in 1D and 2D demonstrate that TF-SNO significantly reduces prediction errors and improves robustness compared to strong baselines, with particularly clear gains in long rollout, suggesting the effectiveness of state-dependent spectral adaptation in modeling non-stationary physical systems.
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All authors Yitian Zhou, Chaoning Zhang, Zhenzhen Huang, Haoxuan Yu, Jiaquan Zhang, Yiran Li, Fan Mo, Kuien Liu, Jie Zou, Caiyan Qin, Yang Yang
Machine Learning · Cross-listed from stat.ML
Two Layers of Instability in Causal Estimation
Alexis Bellot
There is a precise sense in which drawing causal inferences from observational data is hard, even when identifiability is assumed. In particular, Robins and Ritov (1997) and Robins et al. (2003) showed that causal effects can be discontinuous as a function of the data distribution: two arbitrarily close data distributions might correspond to different causal effects. This is a fact independent of the choice of
estimator; however, not all
estimators are equally unstable. Our contribution is to surface a second layer of instability that depends on the choice of
estimator. We show that many standard point estimates can be read as point summaries of
multimodal distributions over the space of structural causal models. As such,
estimators can jump discontinuously in the data distribution. This defines a taxonomy of
estimators that admits a decision-theoretic reading: stability depends on whether the implicit loss function an
estimator optimizes is aligned with the causal effect itself. Specifically, inverse propensity weighted
estimators and regression
estimators are examples of discontinuous summaries, while explicit posterior means and medians are shown to be continuous.
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Machine Learning
Rejections Based on Predictive Uncertainty Enable Reliable Routine Soil Spectroscopy
Jonas Schmidinger, Robin Gebbers, Marc-Olivier Gasser et al. (+3 more)
Soil properties relevant to agricultural and environmental applications are conventionally measured using elaborate laboratory methods involving physical and chemical processing. While highly accurate, these conventional methods are costly and time-consuming. In contrast, optical spectroscopy paired with machine learning enables rapid and cost-effective predictions of multiple soil properties. However, spectroscopic modelling is often considered unreliable, as the predictive accuracy varies between soil properties and individual samples. To balance this trade-off between cost and reliability, we introduce reject-to-remeasure: an AI-based measurement framework that combines probabilistic modelling with uncertainty-guided rejection. In this framework, soil samples are first analysed using spectroscopy, after which predictions are rejected if their predictive uncertainty exceeds predefined quality constraints. Rejected samples are subsequently remeasured using conventional laboratory procedures. On a regional visible-near-infrared spectral soil library from Québec, we demonstrate that reject-to-remeasure with modern foundation models (TabPFNv2.5 and TabICLv2) can facilitate the integration of optical spectroscopy into routine laboratory workflows while meeting user-defined accuracy requirements and reducing measurement costs.
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All authors Jonas Schmidinger, Robin Gebbers, Marc-Olivier Gasser, Viacheslav Barkov, G.Mick Wu, Viacheslav I. Adamchuk
Machine Learning
Inverting the Bellman Equation: From $Q$-Values to World Models
Alistair Letcher, Mattie Fellows, Alexander D. Goldie et al. (+3 more)
Model-based and model-free reinforcement learning are traditionally viewed as separate paradigms: instead of learning a model of the transition kernel $P$, model-free
agents typically estimate value functions tied to a specific policy and reward. In this paper, we challenge this dichotomy by proving that value-based
agents trained on a sufficiently rich set of reward functions, e.g. using goal-conditioned RL, implicitly encode a unique and accurate world model. To extract this model in practice, we introduce \textit{$P$-learning}, an inverse analogue to $Q$-learning that samples from an
agent's $Q$-values, policies and rewards to decode its internal model of the environment. We then provide sufficient conditions on the type and number of goals for which
agents encode the true kernel $P$, covering both
stochastic and deterministic MDPs over finite or continuous state spaces. Even when our assumptions are violated, we empirically demonstrate that
agents trained on a handful of reward functions encode accurate dynamics in $\texttt{Reacher}$, $\texttt{MountainCar}$ and
stochastic variants of $\texttt{FourRooms}$. Surprisingly, we find that policies trained exclusively on a Reacher
agent's implicit world model are quasi-optimal on out-of-distribution, velocity-based goals despite position-only training – suggesting that
agents contain hidden generalisation capabilities and providing a new lens into the connection between model-based, model-free, and goal-conditioned RL.
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All authors Alistair Letcher, Mattie Fellows, Alexander D. Goldie, Jonathan Richens, Jakob N. Foerster, Oliver Richardson
Machine Learning
Dead-Direction Signatures: A Cheap Spectral Reading of Singular Complexity
Tejas Pradeep Shirodkar and P. J. Narayanan
Singular learning theory characterises the complexity of a deep network through the geometry of its loss singularities. The local learning coefficient (LLC), the standard
estimator of Watanabe's real log canonical threshold (RLCT, $\lambda$), reads this geometry as an integrated
Bayesian scalar through SGLD, which needs per-task calibration and $10^4$-$10^6$ forward-backward passes per checkpoint. We introduce Dead-Direction Signatures (DDS), a family of cheap closed-form spectral readings of singular structure: each reads a network's activation
matrix or per-sample-gradient Fisher-Gram at a chosen layer, replacing the SGLD posterior chain with spectral linear
algebra. The readings rest on a dead-direction framework that predicts a structural correlation between activation- and Fisher-side spectra at any singular minimum, and a rank-multiplicative volume identity that single-
eigenvalue monitors cannot produce: the active-volume $\log\det^{+}(G)$ slope counts the dead directions, tracking the rank-deficit $r$ across $r \in \{1,2,3,4\}$ (slope ratios $2.0, 3.1, 4.0$ at $r{=}2,3,4$ against the predicted $2,3,4$), where the smallest
eigenvalue is rank-blind. On reduced-rank regression with closed-form $\lambda$, calibrated LLC recovers $\lambda$ at $99\%$ mean and the DDS observables rank-track it at the framework-predicted sign; on a non-linear modular-addition
transformer DDS separates $d_{\mathrm{model}}$ across eighteen orders of magnitude where calibrated LLC at the protocol budget is rank-flat. Complementary to LLC's integrated posterior reading, DDS gives a directional, layer-local handle on a network's dead directions, read in closed form from its activation and gradient spectra.
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Machine Learning · Cross-listed from math.OC
DUET: Decentralized Bilevel Optimization without Lower-Level Strong Convexity
Zhen Qin, Zhuqing Liu, Songtao Lu et al. (+2 more)
Decentralized bilevel optimization (DBO) provides a powerful framework for multi-
agent systems to solve local bilevel tasks in a decentralized fashion without the need for a central server. However, most existing DBO methods rely on lower-level strong convexity (LLSC) to guarantee unique solutions and a well-defined hypergradient for stationarity measure, hindering their applicability in many practical scenarios not satisfying LLSC. To overcome this limitation, we introduce a new single-loop DBO
algorithm called diminishing quadratically-regularized bilevel decentralized optimization (DUET), which eliminates the need for LLSC by introducing a diminishing quadratic regularization to the lower-level (LL) objective. We show that DUET achieves an iteration complexity of $O(1/T^{1-5p-\frac{11}{4}\tau})$ for approximate KKT-stationary point convergence under relaxed assumptions, where $p$ and $\tau $ are control parameters for LL learning rate and averaging, respectively. In addition, our DUET
algorithm incorporates gradient tracking to address data heterogeneity, a key challenge in DBO settings. To the best of our knowledge, this is the first work to tackle DBO without LLSC under decentralized settings with data heterogeneity. Numerical experiments validate the theoretical findings and demonstrate the practical effectiveness of our proposed
algorithms.
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All authors Zhen Qin, Zhuqing Liu, Songtao Lu, Yingbin Liang, Jia Liu
Machine Learning · Cross-listed from cs.RO
PoLAR: Factorizing Extent and Mode in Latent Actions for Robot Policy Learning
Youngjoon Jeong, Jihwan Yu, Minsoo Jo et al. (+2 more)
Robot actions vary in both extent and mode: how much change they produce and what kind of change they produce. A latent action space that reflects this structure may make it easier for downstream policies to map latent actions to
robot actions. However, existing latent action methods typically rely on visual reconstruction from observation pairs without explicitly encouraging such structure. We introduce Polar Latent Actions with Radial structure (PoLAR), which imposes a radial-direction structure on latent actions, encouraging radius to encode transition extent and direction to retain transition mode. PoLAR uses temporal offsets between observations as a weak proxy for transition extent, encouraging transitions with larger offsets to occupy larger radii. We instantiate this structure in
hyperbolic space, whose expanding volume with radius offers a natural fit for more diverse transition modes at larger extents. Across in-task and large-scale pretraining settings, PoLAR improves downstream policy performance in simulation and real-world
robot experiments, outperforming latent action baselines and strong pretrained VLAs. These results suggest that structuring latent actions by extent and mode helps transfer visual pretraining to
robot policy learning.
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All authors Youngjoon Jeong, Jihwan Yu, Minsoo Jo, Junha Chun, Taesup Kim
Machine Learning
Horizon Adaptive Offline Policy Learning via Value Stitching
Kexin Zheng, Xianyuan Zhan and Xintao Yan
Learning accurate value functions plays a decisive role for reinforcement learning (RL)
agents to solve long-horizon, complex tasks. Conventional temporal-difference (TD) learning objectives suffer from value-estimation bias that accumulates over the horizon, while extended-horizon modeling methods, such as n-step TD backups and Q-chunking, adopt a rigid, fixed-horizon value-modeling recipe that is often not flexible enough to capture complex value structures in long-horizon, multi-stage tasks. In this paper, we show that enabling value updates with dynamic horizon composition can yield a strong offline policy learning scheme. Our method, Horizon Adaptive Offline Policy Learning via VAlue STitching (VAST), replaces fixed-horizon backups with recursive, horizon-adaptive value composition. Its key ingredient is to couple value optimization with a future state- and horizon-length-conditioned auxiliary value function that is learned through direct data supervision, and a stitching policy that optimally selects the reward-maximizing horizon length and future sub-goal to achieve horizon-adaptive value stitching. This design enables direct estimation and compositional "stitching" of variable-length returns grounded in actionable sub-goal states, providing an accurate and greedily exploitable value-supervision signal for offline policy optimization. Across 50 tasks on OGBench, VAST outperforms fixed-step, extended-horizon methods, and generative-value offline RL baselines, achieving strong performance particularly in high-complexity, long-horizon decision-making tasks.
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Machine Learning
What Accuracy and Gradient Cosine Miss: Evaluating Feedback Alignment via Scale Stability, Reference Validity, and Depth Utility
Yuren Hao, Xiang Wan and ChengXiang Zhai
Despite the success of deep learning, training deep networks in biologically plausible and hardware-efficient ways remains an open challenge. Feedback
alignment (FA) methods address this by replacing backpropagation's symmetric backward weights with fixed random
matrices, but their effectiveness depends critically on whether they can be accurately evaluated. The standard evaluation relies on two quantities: task accuracy and cosine similarity between the method's credit signal and the backpropagation gradient. We show that this reporting pair is insufficient by identifying two independent failure modes, both silent under current reporting: (1) measurement degeneracy, where the BP reference gradient collapses to the numerical floor in terminal-LayerNorm residual architectures, rendering cosine uninterpretable; and (2) aggregation collapse, where the aggregate cosine masks layerwise heterogeneity that concentrates credit at one end of the network. To address these limitations, we propose a diagnostic evaluation protocol based on three checks – scale stability, reference validity, and depth utility – together with per-layer rather than aggregate cosine reporting. Across multiple architectures and methods, the standard reporting pair gives no signal of failure in any audited case, while our protocol identifies all failures with wide calibration margins. The two failure modes are causally independent: a per-block scale penalty alleviates Mode 1 (residual scale explosion driving reference collapse) without affecting Mode 2 (cosine ranking that contradicts every functional metric we measured). Identifying these silent failures prevents researchers from building on non-functional credit assignment and provides actionable guidance for developing FA methods that genuinely train deep layers.
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Machine Learning · Cross-listed from cs.CV
Object-Centric Dataset Resources for Constrained-Data Image Generation and Augmentation
Vasile Marian, Yong-Bin Kang and Alexander Buddery
Object-centric image generation is important in settings with few labeled examples, including pedestrian analysis in smart-city scenes, traffic-sign inspection, and domain-specific object detection. Synthetic images are most useful for training and evaluation when
datasets preserve object structure, bounding boxes, visual diversity, and realistic context. Existing image
datasets usually target classification, detection, or scene understanding rather than controlled object-centric generation and augmentation with limited class-specific data. We present a shareable collection of three object-centric
dataset resources: Cityscapes-Pedestrian, TrafficSigns, and COCO PottedPlant. The collection standardizes 256-by-256 object-centric crops and bounding-box annotations across three regimes: dense pedestrian scenes with
privacy blur and occlusion, cleaner high-contrast traffic signs, and context-diverse potted-plant scenes. The release contains 3,009 TrafficSigns samples, 2,156 Cityscapes-Pedestrian manifest records, and 7,679 COCO PottedPlant manifest records. The larger COCO-derived manifest preserves contextual and multi-instance diversity, while equal-size subsets can be drawn with a fixed random seed for controlled comparisons. The release provides direct TrafficSigns data where redistribution is permitted, together with scripts, manifests, box-level annotation tables, checksums, and reconstruction documentation for the Cityscapes- and COCO-derived subsets. It is available through the Latzi/object-centric-low-data-
datasets GitHub repository and Zenodo DOI 10.5281/zenodo.20573001. The collection supports label and split inspection, subset creation, reconstruction from upstream data, and evaluation of object-centric image generation or synthetic-data augmentation methods on shared records.
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Machine Learning
Chem2Gen-Bench: Benchmarking Chemical-to-Genetic Translation in Perturbation Response Space
Yuxiang Lin and Ying Chen
Virtual-
cell and perturbation models are increasingly used to predict cellular responses for biomedical discovery, but chemical and genetic perturbations are not automatically interchangeable. Existing evaluations often study chemical response prediction or genetic perturbation prediction separately, leaving target-matched chemical-to-genetic translation under-tested. We introduce Chem2Gen-Bench, a
benchmark comprising 260,084 chemical and 1,099,045 genetic perturbation profiles organized into
cell-target contexts, and evaluate pairwise
alignment,
retrieval, protocol
covariate associations, feature spaces, and foundation-model
embeddings. Across matched contexts, translation fidelity is measurable but heterogeneous; background adjustment increases the association between pairwise similarity and
retrieval success, while paired tests show lower mean
retrieval success after adjustment under the evaluated settings. In a target-matched K562 audit, the evaluated foundation-model
embeddings did not consistently improve over gene-delta baselines. Chem2Gen-Bench provides an auditable framework for testing when chemical and genetic perturbations align around shared targets and when representation gains are supported by matched perturbation evidence.
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Machine Learning
Enhancing Differentially Private Mechanisms via Empirical Bayes
Minwoo Kim, Junyong Park and Sungkyu Jung
Differential
privacy (DP) has become the gold standard for ensuring the
privacy protection of machine learning and statistical
algorithms in recent decades. A plethora of
algorithms and methods have been developed to enhance the utility of DP
algorithms while maintaining the same level of DP. However, these are often overly complex or computationally ineffective. We propose a novel approach focusing on denoising the output of the simple additive Gaussian mechanism by adopting the idea of empirical Bayes estimation. We highlight that the empirical Bayes approach can reduce the mean-squared error solely by taking the output of the Gaussian mechanism as input. Our numerical studies show that this simple yet powerful approach can be applied to improve upon various statistical problems, including histogram release, principal component analysis, and linear regression, often outperforming existing private
algorithms.
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Machine Learning · Cross-listed from cs.CL
GRAG: Generic Response-Augmented Generation Framework for Personalized Conversational Systems
Junfeng Liu, Christopher T. Symons and Ranga Raju Vatsavai
Deploying highly capable personalized conversational
agents in resource-constrained or
privacy-sensitive environments remains a significant challenge. We identify a fundamental bottleneck in the existing approaches: current training paradigms treat personalization and grounding as a single monolithic learning problem. Under these paradigms,
language models are forced to simultaneously address what to say (content grounding) and how to say it in a user-specific way (personalization), which introduces significant computational and optimization challenges. Consequently, contextual grounding is often sacrificed for persona adherence, or vice versa, resulting in responses that are either weakly grounded in the conversational history or insufficiently personalized. In this work, we propose the Generic Response-Augmented Generation (GRAG) framework that decouples these competing objectives by leveraging offline, generic responses from high-capacity, general-purpose LLMs as a semantic and structural scaffold to guide the fine-tuning of smaller, task-specialized models seamlessly in resource-limited environments. By decoupling the content grounding from personalization, GRAG allows the model to focus exclusively on persona injection while remaining firmly anchored to the conversational context. We instantiate the GRAG in two post- and pre-fusion-based architectural variants and evaluate them on multiple
benchmark conversational
datasets that cover diverse personalization structures. Our results demonstrate that GRAG significantly outperforms state-of-the-art methods that do not use auxiliary scaffolding, yielding up to 47% improvements in ROUGE-2 and 36% in BLEU scores. Ultimately, GRAG offers a generalizable blueprint for building grounding-aware personalized conversational systems in resource-limited environments.
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Machine Learning
SLeDGe: Semi-Supervised Learning on Data Streams with Graph Structure Learning
Heechan Moon and Kijung Shin
Semi-supervised learning (SSL) on data streams is challenging due to the continuous
evolution of high-volume data and the scarcity of labels. Existing methods are limited in leveraging the intrinsic relationships among samples because they typically rely on fixed similarity measures or static graph structures, which cannot capture how relationships evolve over time. We propose SLeDGe, an SSL method for data streams that jointly learns a predictive model and an adaptive graph structure under strict
memory and label constraints. SLeDGe maintains compact labeled and unlabeled
memories using distinct update strategies, balancing rapid adaptation to novel features with the retention of historical consistency. In addition, by encouraging sparsity in the relational graph, SLeDGe filters out spurious connections and enables effective propagation of label supervision. Across 12
datasets, SLeDGe outperforms state-of-the-art competitors, achieving average relative accuracy gains of 31.7% with 0.1% labels and 14.8% with 1% labels.
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Machine Learning
BASIL: Bayesian Application for Scientific Iteration and Learning
Kelvin P. Idanwekhai, Valeriia Kaneva, Stefano Menegatti et al. (+1 more)
We introduce BASIL, a user-friendly desktop application for process optimization. BASIL employs a
Bayesian approach, incorporating special acquisition functions that can be used to solve both single and multi-objective optimization problems. It provides a graphical interface that enables users to input their experimental parameters, optimization objectives, and legacy data. This is then used to build surrogate models, which are coupled with acquisition functions to guide and optimize a process towards a desired objective. To facilitate model building, BASIL provides a variety of predefined surrogate model templates. BASIL can be used to optimize any arbitrary experiment or process with known, user-defined input variables, optimization objectives, and defined output.
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All authors Kelvin P. Idanwekhai, Valeriia Kaneva, Stefano Menegatti, Alexander Tropsha
Machine Learning
Sim2O: Efficient Offline-to-Online MARL via Joint Action Composition
Bingchang Song and Yiqin Yang
Offline-to-online adaptation serves as a pivotal paradigm for mitigating the prohibitive cost of online exploration by bootstrapping reinforcement learning from offline
datasets. While this paradigm has been extensively studied in single-
agent settings, its extension to Multi-
Agent Reinforcement Learning (MARL) remains largely unexplored, despite its critical relevance to complex coordinated decision-making. To bridge this gap, we introduce Sim2O, an elegant and minimalist framework for offline-to-online MARL. Rather than treating adaptation as a monolithic joint decision, Sim2O conceptualizes it as a compositional process. Specifically, candidate joint actions are synthesized by dynamically blending offline and online action proposals across
agents. By leveraging a centralized value function to evaluate these hybrid combinations, Sim2O identifies high-value coordination strategies without requiring auxiliary training objectives or structural overhead. Empirical evaluations across diverse
benchmarks demonstrate that Sim2O significantly outperforms existing baselines, underscoring that a minimalist design is not only viable but highly effective for multi-
agent offline-to-online adaptation.
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Machine Learning · Cross-listed from cs.AI
Coherence Under Commitment: Probing Generalization and Vacuous Memorization in LLM Logical Reasoning
Noor Islam S. Mohammad and Mahmudul Hasan
Large
language models (LLMs) deployed for logical
reasoning in knowledge-intensive domains exhibit a subtle but critical failure: coherence can be vacuously achieved through systematic abstention. A model that withholds commitment to either entailment or refutation satisfies negation consistency while providing no utility. We introduce Coherence Under Commitment (CUC), a dual-query evaluation paradigm that jointly measures consistency and decisiveness. CUC contributes three innovations: (1) a commitment score $c(\varphi) = p(\varphi) + p(\lnot\varphi)$ quantifying probability mass allocated to decisive outcomes; (2) a deterministic elicitation protocol via normalized YES/NO log probabilities, eliminating sampling variance; and (3) a 3-way decision framework (True/False/Uncertain) operationalizing the coherence-commitment trade-off into metrics. Experiments on four open-weight LLMs (1B-3B) across 204 FOLIO examples expose a sharp frontier. Qwen2.5-3B achieves near-zero contradiction ($\mathbb{E}[v_{\mathrm{neg}}]{=}0.025$) but only $7.4\%$ coverage, while TinyLlama-1.1B reaches $79.4\%$ coverage with violations on every example. Coherence-only evaluation would rank the abstaining model first; CUC exposes this as vacuous, and the frontier generalizes to LogiQA~v2 ($\rho{=}0.97$). We argue that evaluation must report both coherence and non-vacuous commitment and release a toolkit for standardized assessment.
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Machine Learning · Cross-listed from stat.ML
Regional summaries of Bayesian model uncertainty
Hanqing Li, Robert Nguyen and Xuewen Lu
Bayesian posterior uncertainty can be spread across many models that share the same substantive pattern. Lists of individual models can obscure this structure, while marginal summaries do not describe which configurations are jointly supported. We study how to represent joint model uncertainty through a compact collection of interpretable regions, each grouping models that share a specified pattern. We formulate this task as minimizing representation complexity subject to retaining a prescribed posterior mass within an analyst-supplied family. To address unknown regional probabilities, we develop Adaptive Regional Selection (ARS), which combines adaptive exploration and regional weight estimation with conservative and optimistic selection. These complementary problems identify a summary meeting the mass target and bound how much further its complexity could improve. Under valid regional bounds, we establish guarantees for retained mass, total-variation error, and suboptimality, together with conditions for certifying optimality. We also show that, under bounded within-region weight variation, sufficient sample counts for regional estimation need not grow with the number of represented models, and construct bounds that remain valid under adaptive sampling and stopping. Empirical studies illustrate regional summaries in
Bayesian model averaging and
Bayesian networks, examining retained mass, representation complexity, and certification.
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Machine Learning · Cross-listed from cs.CL
FiLM-Coordinated Dual-Branch Transformer for Global-Local Dependency Modeling in Language Modeling
Zhiqiang Zhou, Xu Ling and Junliang Dai
Standard
Transformers use a single self-
attention pathway to model both global dependencies and local patterns, creating tension between long-range structural
reasoning and fine-grained local representation learning. We propose a FiLM-coordinated dual-branch
Transformer for
language modeling, where each layer explicitly contains a global branch and a local branch, and feature-wise linear modulation (FiLM) is used for dynamic cross-branch coordination instead of simple concatenation or static addition. The key idea is that the two branches represent different dependency views of the same input, making channel-wise calibration more suitable than heavy
token-level interaction. We therefore design a bidirectional FiLM module in which each branch generates per-channel scaling and shifting parameters to condition the other. Experiments on multiple small-scale
language modeling settings show that the proposed structure consistently outperforms same-width single-branch baselines and weakened dual-branch variants under a fixed lightweight configuration. On TinyShakespeare and a 1M-character subset of WikiText-2, the full dual-branch FiLM model achieves the best results among same-width structural baselines. Multi-seed results support the stability of the gains, while mechanistic analyses show that FiLM learns input-dependent, layer-dependent, and channel-selective modulation patterns rather than static scaling. Parameter-matched widened single-branch baselines also indicate that the current design still leaves room for improvement in parameter efficiency.
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Machine Learning
SqLinear: Balanced Square Partitioning Makes Linear Interaction Sufficient for Large-Scale Traffic Forecasting
Yongfeng Su, Hongwen Li, Zijian Zhang et al. (+5 more)
Traffic prediction is a core task in intelligent transportation systems and urban-scale decision making. Despite the effectiveness of mainstream neural network-based methods, their deployment in real-world settings with thousands of traffic sensors is severely jeopardized by their poor computational scalability. To address this, the community has attempted to incorporate spatial database partitioning techniques to improve model scalability. However, these approaches rely on handcrafted
geometric heuristics and often produce irregular or imbalanced data partitions, leading to boundary fragmentation, excessive padding overheads, and degraded model accuracy. In this paper, we propose SqLinear, an efficient and effective architecture for large-scale traffic prediction. First, we design Square Partition, a geometry-adaptive
algorithm that partitions massive traffic sensors into balanced, non-overlapping, and compact spatial regions. Unlike existing heuristic-based designs, Square Partition is theoretically grounded and provides provable guarantees on partition utilization and split balance, establishing a high-quality foundation for downstream spatio-temporal modeling. Next, we propose a Hierarchical Linear Interaction (HLI) module that abandons the costly
attention mechanisms commonly used in
Transformer-based spatio-temporal models. HLI efficiently propagates global inter-region dependencies and refines them at the node level through a lightweight linear interaction scheme, enabling effective spatio-temporal modeling with linear computational complexity. Extensive experiments on four large-scale traffic
datasets and 11 baselines show that SqLinear reduces MAE by 2.30% on average under the standard setting and by up to 6.78% under extreme scalability settings, while reducing training runtime by 13.27%–30.84% in spatial- and horizon-scaling scenarios.
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All authors Yongfeng Su, Hongwen Li, Zijian Zhang, Ziquan Fang, Lu Chen, Christian S. Jensen, Hong Gao, Yinjun Han
Machine Learning · Cross-listed from cs.CR
OVIG: Optimistic Verification of AI Training Integrity via Gradient Signals
Hongxu Su, Jianzhu Yao, Huan Zhang et al. (+2 more)
The rapid growth of AI has increased the demand for domain-specific models. Post-training of open-source models offers a more economical way to meet this growing demand, but the cost of accelerator infrastructure often pushes organizations to outsource the process to third-party providers. An untrusted provider may deviate from the declared training procedure to save computation or inject malicious behavior. A potential solution is to audit the training by having an independent verifier replay the training and compare the results. This faces two key challenges: benign numerical drift from floating-point computation across heterogeneous accelerators is difficult to distinguish from malicious deviations, and the checkpoints and metadata required for verification introduce substantial storage and transmission costs. Existing approaches either have security limitations or high deployment costs. We present OVIG, an optimistic verification framework that verifies training using an empirical boundary on gradient differences calibrated from honest heterogeneous replay. Gradient differences that exceed this boundary are treated as malicious deviations. OVIG further uses optimistic verification and partitions training into stride-$s$ intervals, retaining evidence only at interval endpoints to reduce storage and transmission costs. Across shortcut training attacks and adaptive targeted manipulation attacks, OVIG maintains \(0\%\) ASR on
language,
vision, and
diffusion workloads. On Qwen3, increasing the stride from \(s=1\) to \(s=2000\) reduces off-chain storage and evidence transmission by \(1996\times\) while preserving \(0\%\) ASR and only adds \(14.3\%\) system computation overhead relative to unverified training.
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All authors Hongxu Su, Jianzhu Yao, Huan Zhang, Xuechao Wang, Pramod Viswanath
Machine Learning · Cross-listed from stat.ML
Diffusion-Driven State Space Models
Jack Ruder and Michael Wojnowicz
In many domains, practitioners seek models that produce accurate forecasts while faithfully capturing latent system dynamics. Existing approaches typically sacrifice one of these goals: deep state space models often assume Gaussian latent transitions, limiting fit and
forecasting, while
diffusion models are highly expressive but lack principled inference for the underlying dynamics. To combine the strengths of both, we introduce the
Diffusion-Driven State Space Model (DDSSM), which replaces the conventional Gaussian transition distribution with a
diffusion model. Our DDSSM resolves the open problem of how to jointly train an autoencoder and a
diffusion model on sequential data, thereby extending the literature on latent
diffusion models for time series. Moreover, we find that the DDSSM empirically outperforms a state-of-the-art deep SSM at fitting and
forecasting a simulated time series with
multimodal transitions.
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Machine Learning · Cross-listed from cs.AI
Negative Knowledge as Failure-aware Shared Memory for AutoResearch
Hanchun Wang
AI-assisted research systems generate many failed attempts, but those failures rarely become a durable, shared knowledge asset. We propose a negative knowledge
memory layer: a curator
agent converts each failed attempt into a bounded, typed record in a shared bank, and a downstream research
agent explicitly adopts or rejects those records before proposing its next experiment. We evaluate this layer in two settings: same-task retry on ScienceAgentBench and cross-task scientific research on two nonlinear math-physics PDE problems. The negative knowledge layer outperforms vanilla AutoResearch baselines while using fewer
tokens;
agents with the negative knowledge bank solve new tasks that all baselines fail to solve in PDE systems research. We also show that the previous negative knowledge bank can transfer and enhance AutoResearch on different PDE problems. These results suggest that structured negative knowledge is a knowledge asset that should be explicitly maintained in broader AI-engaged scientific research beyond a
memory-compression or debugging aid, alongside positive findings, as a collective infrastructure for scientific
memory. Code is available at https://github.com/hch-wang/Negative_Knowledge.
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Machine Learning
Demystifying Numerical Instability in LLM Inference: Achieving Reproducible Inference for Mission-Critical Tasks with HEAL
Zhenting Zhu, Lucas Thai, Shan Yu et al. (+5 more)
As Large
Language Models (LLMs) deploy into mission-critical domains (e.g., finance, medicine, and law), output reproducibility has become a strict system requirement. While practitioners use greedy decoding to eliminate algorithmic stochasticity, empirical deployments with 16-bit precisions still exhibit catastrophic output divergence across heterogeneous GPUs. Through SASS-level profiling, we reveal that this inconsistency is fundamentally driven by truncation errors introduced during downcasting at kernel boundaries. However, achieving reproducibility via a global FP32 pipeline incurs prohibitive system penalties: bypassing 16-bit hardware accelerators hurts compute efficiency, while upcasting the KV cache doubles
memory overhead. To bridge this gap, we propose Hybrid Error ALleviation (HEAL), a targeted intervention that approximates FP32 precision while resolving hardware constraints through two targeted mechanisms. First, recognizing that floating-point formats underutilize their bit-width for Q, K, V tensors, HEAL applies INT16 quantization that preserves numerical stability without expanding the KV cache footprint. Second, HEAL synthesizes high-precision
matrix multiplications via an algebraic error compensation strategy, executing entirely on high-throughput 16-bit Tensor Cores. To evaluate our approach practically, we introduce MCR-Bench, a
benchmark targeting reproducibility in mission-critical tasks. HEAL achieves the same level of reproducibility on downstream tasks as the FP32 baseline while reducing the performance overhead by up to 7.1x.
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All authors Zhenting Zhu, Lucas Thai, Shan Yu, Yicheng Liu, Yifan Qiao, Chenxi Wang, Harry Xu, Junyi Shu
Machine Learning
Structure-Aware Graph Multi-Task Learning for Dynamic Sparse OD Demand Prediction
Ming Xu and Jiawei Cao
Origin-Destination (OD) demand prediction is fundamental to intelligent transportation systems, yet real-world OD flows are often dynamically sparse, long-tailed, and characterized by heterogeneous zero-flow patterns. These properties make it difficult to distinguish whether an OD connection is active from how much demand it generates once activated. Many existing methods primarily treat OD prediction as a single flow regression task, which limits their ability to model low-frequency, intermittent, and long-tailed OD interactions. To address these challenges, we propose SAGMTL, a Structure-Aware Graph Multi-Task Learning framework for dynamic sparse OD demand prediction. SAGMTL decomposes OD prediction into structural state modeling and flow intensity estimation, jointly learning regional activity states, OD connection activity, and edge-level flow intensity within a unified framework. Specifically, a node-edge collaborative representation module captures regional semantics, temporal dynamics, and spatial priors through interactive node-edge updates, producing structure-aware representations for dynamic OD interactions. Based on these representations, SAGMTL estimates OD flows by jointly modeling stable demand patterns and short-term fluctuations. A multi-constraint objective further improves sparsity awareness and structural consistency. Experiments on three real-world urban mobility
datasets from Beijing, Chengdu, and Nanjing show that SAGMTL achieves superior overall performance compared with state-of-the-art baselines. Further analysis demonstrates that explicitly modeling regional activity, connection states, and flow intensity improves the robustness of dynamic sparse OD demand prediction.
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