Machine Learning
A Composite Activation Function for Learning Stable Binary Representations
Seokhun Park, Choeun Kim, Kwanho Lee et al. (+3 more)
Activation functions play a central role in neural networks by shaping internal representations. Recently, learning binary activation representations has attracted significant
attention due to their advantages in computational and
memory efficiency, as well as interpretability. However, training neural networks with Heaviside activations remains challenging, as their non-differentiability obstructs standard gradient-based optimization. In this paper, we propose Heavy Tailed Activation Function (HTAF), a smooth approximation to the Heaviside function that enables stable training with gradient-based optimization. We construct HTAF as a sigmoid
hyperbolic tangent composite function and theoretically show that it maintains a large gradient mass around zero inputs while exhibiting slower gradient decay in the tail regions. We show that Spiking Neural Networks, Binary Neural Networks and Deep Heaviside neural Networks can be trained stably using HTAF with gradient-based optimization. Finally, we introduce Implicit Concept Bottleneck Models (ICBMs), an interpretable image model that leverages HTAF to induce discrete feature representations. Extensive experiments across various architectures and image
datasets demonstrate that ICBM enables stable discretization while achieving prediction performance comparable to or better than standard models.
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All authors Seokhun Park, Choeun Kim, Kwanho Lee, Sehyun Park, Insung Kong, Yongdai Kim
Machine Learning · Cross-listed from cs.AI
Hindsight Hint Distillation: Scaffolded Reasoning for SWE Agents from CoT-free Answers
Shengjie Wang, Guanghe Li, Zonghan Yang et al. (+1 more)
Solving complex long-horizon tasks requires strong planning and
reasoning capabilities. Although
datasets with explicit chain-of-thought (CoT) rationales can substantially benefit learning, they are costly to obtain. To address this challenge, we propose Hindsight Hint
Distillation (HHD), which only requires easy-to-obtain question-answer pairs without CoT annotations. Inspired by how human teachers use student mistakes to provide targeted guidance, HHD synthesizes hindsight hints from the model's own failed self-rollouts and uses them to scaffold on-policy rollouts that successfully complete the tasks. The model then self-distills these scaffolded trajectories and generalizes to new problems without hint guidance. Experiments show that HHD significantly outperforms iterative RFT and trajectory-synthesis baselines, achieving an absolute improvement of 8% on SWE-bench Verified, while all baselines improve by only around 2%. Notably, the
reasoning strategies induced by HHD generalize effectively to out-of-distribution tasks, yielding the largest gains on SWE-bench
Multilingual despite no training on
multilingual data. These results demonstrate that HHD can effectively synthesize expert-like
reasoning from CoT-free data and substantially improve long-horizon performance.
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All authors Shengjie Wang, Guanghe Li, Zonghan Yang, Yang Gao
Machine Learning
A Controlled Counterexample to Strong Proxy-Based Explanations of OOD Performance: in a Fixed Pretraining-and-Probing Setup
Hongmin Li
Task-agnostic structure proxies are often used to interpret why one pretraining corpus transfers better than another, but such explanations require the proxy to track the structure that matters for the downstream task. We test this requirement in a fixed pretraining-and-probing setup motivated by computationally bounded notions of learned structure, including epiplexity. The core question is whether a proxy ranking of two pretraining
datasets must agree with their ranking by OOD probe accuracy. We show that it need not. First, we give a controlled construction in which a formal structure quantity, its operational proxy, and the task-relevant structure for a target family separate. We then instantiate the same mechanism in a synthetic sequence-model experiment: under the primary all-sample evaluation, the OOD accuracy ranking reverses the proxy ranking in two of three seeds, with auxiliary diagnostics and ablations supporting the same interpretation. The counterexample does not reject structure-based explanations in general; it identifies a boundary on strong proxy-based explanations. A proxy for total learned structure can fail to track the task-relevant structure that drives OOD performance, even in a controlled setting.
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Machine Learning
VNDUQE: Information-Theoretic Novelty Detection using Deep Variational Information Bottleneck
Aryan Gondkar, Hayder Radha and Yiming Deng
Detecting out-of-distribution (OOD) samples is critical for safe deployment of neural networks in safety-critical applications. While maximum softmax probability (MSP) provides a simple baseline, it lacks theoretical grounding and suffers from miscalibration. We propose VNDUQE (VIB-based Novelty Detection and Uncertainty Quantification for Nondestructive Evaluation), which investigates novelty detection through the Deep Variational Information Bottleneck (VIB), which explicitly constrains information flow through learned representations. We train VIB models on MNIST with held-out digit classes and evaluate OOD detection using information-theoretic metrics: KL divergence and prediction
entropy. Our results reveal complementary detection signals: KL divergence achieves perfect detection (100% AUROC on noise) on far-OOD samples (noise, domain shift), while prediction
entropy excels at near-OOD detection (94.7% AUROC on novel digit classes). A parallel detection strategy combining both metrics achieves 95.3% average AUROC and 92% true positive rate at 5% false positive rate, which is a 32 percentage point improvement over baseline MSP (85.0% AUROC, 60.1% TPR). Compression via the information bottleneck principle ($\beta=10^{-3}$) reduces Expected Calibration Error by 38%, demonstrating that information-theoretic constraints produce fundamentally more reliable uncertainty estimates. These findings directly support active learning with expensive computational oracles, where well-calibrated novelty detection enables principled threshold selection for oracle queries.
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Machine Learning
Sharpen Your Flow: Sharpness-Aware Sampling for Flow Matching
Aditi Gupta, Soon Hoe Lim, Annan Yu et al. (+1 more)
Flow matching models generate samples by numerically integrating a learned velocity field, with each integration step requiring a neural network evaluation. Fast generation therefore requires using a small fixed evaluation budget effectively: the key question is not only how to integrate the flow, but where the sampler should spend its steps. We propose SharpEuler, a training-free sampler that profiles a pretrained model offline by estimating where the learned velocity field changes most rapidly along calibration trajectories. This finite-difference estimate defines a solver-aware sharpness profile, which is smoothed and converted by a
quantile transform into a timestep grid for any desired inference budget. At test time, sampling remains ordinary Euler integration with the same number of model evaluations as a uniform schedule. We justify SharpEuler using three principles: a numerical principle identifying trajectory acceleration as the leading source of Euler discretization error, a variational principle deriving sharpness-based power-law timestep densities, and a statistical guarantee showing that the finite-sample calibrated sampler is stable at the terminal distribution level. Our experiments show that SharpEuler improves sample quality at fixed budgets, reducing inter-mode leakage and increasing mode coverage.
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All authors Aditi Gupta, Soon Hoe Lim, Annan Yu, N. Benjamin Erichson
Machine Learning · Cross-listed from cs.CL
Taming Extreme Tokens: Covariance-Aware GRPO with Gaussian-Kernel Advantage Reweighting
Cheng Wang, Qin Liu, Wenxuan Zhou et al. (+1 more)
Group Relative Policy Optimization (GRPO) has emerged as a promising approach for improving the
reasoning capabilities of large
language models. However, it struggles to effectively balance the tradeoff between exploration and exploitation during training, often resulting in suboptimal performance. Motivated by the theoretical insight that changes in
entropy are governed by the covariance between
token probabilities and their corresponding advantages, we propose a hyperparameter-free, covariance-weighted optimization method that dynamically down-weights extreme
token-level updates via a Gaussian kernel. This approach automatically reduces the instability caused by exploration-exploitation trade-off while preserving informative learning signals. Extensive empirical evaluations show that our approach improves downstream performance across
reasoning benchmarks compared with GRPO, and effectively stablizes
entropy as training progresses.
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All authors Cheng Wang, Qin Liu, Wenxuan Zhou, Muhao Chen
Machine Learning
Fast MoE Inference via Predictive Prefetching and Expert Replication
Ankit Jyothish, Ali Jannesari, Aishwarya Sarkar et al. (+1 more)
The Mixture of Experts (MoE) architecture has become a fundamental building block in state-of-the-art large
language models (LLMs), improving domain-specific expertise in LLMs and scaling model capacity without proportionally increasing their computational overhead. However, MoE inference often suffers from suboptimal GPU utilization, load imbalance, and elevated latency arising from multiple
tokens waiting on the same experts for their computation which arises from sparsity of expert activation. To address these challenges, we propose a dynamic expert replication strategy that predicts which experts are likely to be overloaded and replicates them for upcoming batches of
tokens. The replicated experts process batch
tokens concurrently across layers, which leads to improved parallelism, shorter GPU idle time, and significantly faster inference. Experimental evaluations conducted on large-scale MoE models, including Switch-base-128 and Switch-base-256, demonstrate that our method achieves near-complete GPU utilization (approx 100%), leading to upto 3x improvement in inference speed while preserving approximately 90-95% of the performance of baseline architectures
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All authors Ankit Jyothish, Ali Jannesari, Aishwarya Sarkar, Joseph Zuber
Machine Learning
Primal-Dual Policy Optimization for Linear CMDPs with Adversarial Losses
Kihyun Yu, Seoungbin Bae and Dabeen Lee
Existing work on linear constrained Markov decision processes (CMDPs) has primarily focused on
stochastic settings, where the losses and costs are either fixed or drawn from fixed distributions. However, such formulations are inherently vulnerable to adversarially changing environments. To overcome this limitation, we propose a primal-dual policy optimization
algorithm for online finite-horizon {
adversarial} linear CMDPs, where the losses are adversarially chosen under full-information feedback and the costs are
stochastic under bandit feedback. Our
algorithm is the first to achieve sublinear regret and constraint violation bounds in this setting, both bounded by $\widetilde{\mathcal{O}}(K^{3/4})$, where $K$ denotes the number of episodes. The
algorithm introduces and runs with a new class of policies, which we call weighted LogSumExp softmax policies, designed to adapt to adversarially chosen loss functions. Our main result stems from the following key contributions: (i) a new covering number argument for the weighted LogSumExp softmax policies, and (ii) two novel algorithmic components – periodic policy mixing and a regularized dual update – which allow us to effectively control both the covering number and the dual variable. We also report numerical results that validate our theoretical findings on the performance of the
algorithm.
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Machine Learning · Cross-listed from physics.ao-ph
Generative climate downscaling enables high-resolution compound risk assessment by preserving multivariate dependencies
Takuro Kutsuna, Noriko N. Ishizaki, Norihiro Oyama et al. (+1 more)
Physics-based
climate projections using general circulation models are essential for assessing future risks, but their coarse resolution limits regional decision-making. Statistical downscaling can efficiently add detail, yet many methods treat variables independently, degrading inter-variable relationships that govern compound hazards such as heat stress, drought, and wildfire. Here we show that a
diffusion-based multivariate generative framework, combined with bias correction, recovers degraded inter-variable correlations even under a 50$\times$ increase in linear resolution. When applied to five meteorological variables over Japan, the framework reduces inter-variable correlation errors by more than fourfold relative to existing baselines while improving both univariate and spatial accuracy, leading to more accurate detection of severe drought. These results demonstrate that multivariate generative downscaling improves the reliability of compound risk assessment under large resolution gaps.
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All authors Takuro Kutsuna, Noriko N. Ishizaki, Norihiro Oyama, Hiroaki Yoshida
Machine Learning
Multi-Narrow Transformation as a Single-Model Ensemble: Boundary Conditions, Mechanisms, and Failure Modes
Tatsuhito Hasegawa and Taisei Tanaka
Single-model ensembles (SMEs) have attracted
attention as a way to approximate some of the benefits of deep ensembles within a single network. However, under an approximately matched parameter budget, it remains unclear whether model capacity should be concentrated in a single wide pathway or redistributed into many narrow and independent members. We investigate this question through the Multi-Narrow (MN) transformation, which converts a baseline CNN into an SME of narrow, path-wise independent branches while approximately preserving the dominant parameter budget. We systematically compare Single-Wide and Multi-Narrow configurations across different training-data regimes, architectures, and
datasets. The results show that the effectiveness of MN is strongly data-dependent: weakly partitioned or baseline-wide models are preferable in data-rich settings, whereas highly partitioned MN models consistently outperform the baseline in low-data settings. This tendency is reproduced across multiple CNN architectures and image-classification
datasets, suggesting that it is not specific to a single
benchmark or model family. Analysis of internal representations shows that high-MN models learn more diverse and less redundant path-wise features. In low-data regimes, this diversity is broadly utilized and improves generalization, whereas in data-rich regimes, training becomes imbalanced and prediction is dominated by a small subset of paths. These findings clarify when and why Multi-Narrow transformation is effective, and provide practical guidance for allocating model capacity between width and member multiplicity under a limited budget.
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Machine Learning
FERMI: Exploiting Relations for Membership Inference Against Tabular Diffusion Models
Abtin Mahyar, Masoumeh Shafieinejad, Yuhan Liu et al. (+1 more)
Diffusion models are the leading approach for tabular data synthesis and are increasingly used to share sensitive records. Whether they actually protect
privacy has become a pressing question. Membership inference attacks are the standard tool for this purpose, yet existing attacks assume a single-table setting and ignore the multi-relational structure of real sensitive data. A core challenge in assessing
privacy risks from membership inference attacks in multi-table settings is how to leverage auxiliary information from relations associated with the target table, such as its parent tables. Particularly, we study a practical setting in which such auxiliary information is available only when training the attack model. At inference time, the attacker observes only the attribute values of the target record from the target table. We propose
FERMI (FEature-mapping for Relational Membership Inference), which resolves this gap by enriching single-table features with relational membership signal. Across three tabular
diffusion architectures and three real-world relational
datasets,
FERMI consistently improves attack performance over single-table baselines, with TPR@$0.1$FPR rising by up to 53% over the single-table baseline in the white-box setting and 22% in the black-box setting.
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All authors Abtin Mahyar, Masoumeh Shafieinejad, Yuhan Liu, Xi He
Machine Learning · Cross-listed from math.OC
Efficient and provably convergent end-to-end training of deep neural networks with linear constraints
Zonglin Yang, Zhexuan Gu and Yancheng Yuan
Training a deep neural network with the outputs of selected layers satisfying linear constraints is required in many contemporary data-driven applications. While this can be achieved by incorporating projection layers into the neural network, its end-to-end training remains challenging due to the lack of rigorous theory and efficient
algorithms for backpropagation. A key difficulty in developing the theory and efficient
algorithms for backpropagation arose from the nonsmoothness of the solution mapping of the projection layer. To address this bottleneck, we introduce an efficiently computable HS-Jacobian to the projection layer. Importantly, we prove that the HS-Jacobian is a conservative mapping for the projection operator onto the polyhedral set, enabling its seamless integration into the nonsmooth automatic differentiation framework for backpropagation. Therefore, many efficient
algorithms, such as Adam, can be applied for end-to-end training of deep neural networks with linear constraints. Particularly, we establish convergence guarantees of the HS-Jacobian based Adam
algorithm for training linearly constrained deep neural networks. Extensive experiment results on several important applications, including finance, computer
vision, and network architecture design, demonstrate the superior performance of our method compared to other existing popular methods.
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Machine Learning
OverNaN: NaN-Aware Oversampling for Imbalanced Learning with Meaningful Missingness
Amanda S Barnard
Missing values are routinely treated as defects to be eliminated through deletion or imputation prior to machine learning. In many applied domains, however, missingness itself carries information, reflecting experimental constraints, measurement choices, or systematic mechanisms tied to the data-generating process. Eliminating or masking this structure can distort class boundaries, introduce bias, and reduce generalisability; particularly in imbalanced
datasets where minority classes are already under-represented. OverNaN is a lightweight, NaN-aware oversampling framework designed to address class imbalance without erasing missingness structure. It extends common synthetic oversampling methods to operate directly on incomplete feature vectors, allowing missing values to be preserved, propagated, or selectively interpolated according to explicitly defined strategies. Rather than repairing missing data, OverNaN treats missingness as part of the feature space over which synthetic samples are generated. This paper situates OverNaN within the broader landscape of imbalanced learning, missing-data handling, and NaN-tolerant
algorithms. Using representative examples included with the software, we demonstrate that meaningful missingness can be retained during oversampling without introducing artificial certainty. OverNaN is intended for practitioners working with small, incomplete, and imbalanced
datasets in scientific and engineering domains where missingness is unavoidable and often informative.
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Machine Learning
EqOD: Symmetry-Informed Stability Selection for PDE Identification
Gnankan Landry Regis N'guessan and Bum Jun Kim
Data-driven identification of partial differential equations (PDEs) relies on sparse regression over a candidate library of differential operators, where larger libraries inflate false positives under observation noise and smaller libraries risk missing true terms. We introduce Equivariant Operator Discovery (EqOD), a fully automatic method combining two library reduction mechanisms. When Galilean invariance is detected from trajectory data via a weak-form structural test, EqOD uses the
symmetry-reduced library, eliminating terms that our Galilean exclusion result proves to be absent from the governing equation. Otherwise, it applies randomized LASSO stability selection guided by classical false-positive bounds. A residual-based fallback prevents degradation below the full-library baseline. On 8 PDEs at 4 noise levels, EqOD attains $F_1 = 1.000 \pm 0.000$ on Heat at $20\%$ noise, where WF-LASSO obtains $0.475 \pm 0.181$, official PySINDy 2.0 obtains $0.000$, and the WSINDy reimplementation obtains $0.789$. Under the strict criterion that the mean F1 difference exceeds the larger of the two standard deviations, EqOD wins 7 of 32
cells. WF-LASSO wins none, and the remaining 25
cells are ties. Across all 32
cells, EqOD outperforms PySINDy 2.0.0 in 23 of 32
cells, and all 5 PySINDy wins occur on reaction PDEs. External validation on WeakIdent and PINN-SR
datasets gives $F_1 = 1.000$ on all 5 clean
benchmarks. NLS, 2D, coupled-system, and cylinder-wake extensions are reported. The Galilean library reduction is proved under explicit autonomy and library assumptions. The stability-selection step is motivated by classical false-positive bounds, while formal guarantees for correlated PDE design
matrices remain open.
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Machine Learning · Cross-listed from cs.AI
Controllable User Simulation
Guy Tennenholtz, Ofer Meshi, Amir Globerson et al. (+3 more)
Using offline
datasets to evaluate conversational
agents often fails to cover rare scenarios or to support testing new policies. This has motivated the use of controllable user simulators for targeted, counterfactual evaluation, typically implemented by prompting or fine-tuning large
language models. In this work, we formalize controllable simulation as a causal inference problem. By bridging natural
language evaluation with off-policy evaluation methodology, we show that the standard practice of training simulators via supervised fine-tuning on post-hoc trajectory labels yields a structurally biased model. Specifically, these labels are inextricably coupled to the data-generating behavior policy, injecting a look-ahead bias that breaks causal consistency. Furthermore, we prove that under policy shift this failure causes the variance of evaluation metrics to explode geometrically, a phenomenon we term controllability collapse. To restore causal consistency, we establish theoretical conditions for accurate simulation and propose practical training mitigations: a priori controls, step-wise dynamic controls, and direct policy-conditioned learning. Empirical evaluation confirms that while standard global controls distort conversational distributions and collapse behavioral diversity, our causally grounded simulators eliminate look-ahead bias, preserve natural variance, and exhibit robust zero-shot generalization to unseen
agent behaviors.
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All authors Guy Tennenholtz, Ofer Meshi, Amir Globerson, Uri Shalit, Jihwan Jeong, Craig Boutilier
Machine Learning · Cross-listed from cs.AI
AutoLLMResearch: Training Research Agents for Automating LLM Experiment Configuration - Learning from Cheap, Optimizing Expensive
Taicheng Guo, Nitesh V. Chawla, Olaf Wiest et al. (+1 more)
Effectively configuring scalable large
language model (LLM) experiments, spanning architecture design, hyperparameter tuning, and beyond, is crucial for advancing LLM research, as poor configuration choices can waste substantial computational resources and prevent models from realizing their full potential. Prior automated methods are designed for low-cost settings where repeated trial and error is feasible, but scalable LLM experiments are too expensive for such extensive iteration. To our knowledge, no work has addressed the automation of high-cost LLM experiment configurations, leaving this problem labor-intensive and dependent on expert intuition. Motivated by this gap, we propose AutoLLMResearch, an agentic framework that mimics how human researchers learn generalizable principles from low-fidelity experiments and extrapolate to efficiently identify promising configurations in expensive LLM settings. The core challenge is how to enable an
agent to learn, through interaction with a multi-fidelity experimental environment that captures the structure of the LLM configuration landscape. To achieve this, we propose a systematic framework with two key components: 1) LLMConfig-Gym, a multi-fidelity environment encompassing four critical LLM experiment tasks, supported by over one million GPU hours of verifiable experiment outcomes; 2) A structured training pipeline that formulates configuration research as a long-horizon Markov Decision Process and accordingly incentivizes cross-fidelity extrapolation
reasoning. Extensive evaluation against diverse strong baselines on held-out experiments demonstrates the effectiveness, generalization, and interpretability of our framework, supporting its potential as a practical and general solution for scalable real-world LLM experiment automation.
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All authors Taicheng Guo, Nitesh V. Chawla, Olaf Wiest, Xiangliang Zhang
Machine Learning · Cross-listed from stat.ML
Post-ADC Inference: Valid Inference After Active Data Collection
Shuichi Nishino, Tomohiro Shiraishi, Teruyuki Katsuoka et al. (+1 more)
The validity of statistical inference depends critically on how data are collected. When data gathered through active data collection (ADC) are reused for a post-hoc inferential task, conventional inference can fail because the sampling is adaptively biased toward regions favored by the collection strategy. This issue is especially pronounced in black-box optimization, where sequential model-based optimization (SMBO) methods such as the tree-structured Parzen
estimator (TPE) and Gaussian process upper confidence bound (GP-UCB) preferentially concentrate evaluations in promising regions. We study statistical inference on actively collected data when the inferential target is constructed in a data-dependent manner after data collection. To enable valid inference in this setting, we propose post-ADC inference, a framework that accounts for the biases arising from both the active data collection process and the subsequent data-driven target construction. Our method builds on selective inference and provides valid $p$-values and confidence intervals that correct for both sources of bias. The framework applies to a broad class of ADC processes by imposing only assumptions on the observation noise, without requiring any assumptions on the underlying black-box function or the surrogate model used by the SMBO
algorithm. Empirical results also show that post-ADC inference provides valid inference for data collected by GP-UCB and TPE.
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All authors Shuichi Nishino, Tomohiro Shiraishi, Teruyuki Katsuoka, Ichiro Takeuchi
Machine Learning · Cross-listed from cs.AI
Hierarchical LLM-Driven Control for HAPS-Assisted UAV Networks: Joint Optimization of Flight and Connectivity
Zijiang Yan, Hao Zhou, Wael Jaafar et al. (+4 more)
Uncrewed aerial vehicles (
UAVs) are increasingly deployed in complex networked environments, yet the joint optimization of multi-
UAV motion control and connectivity remains a fundamental challenge. In this paper, we study a multi-
UAV system operating in an integrated terrestrial and non-terrestrial network (ITNTN) comprising terrestrial base stations and high-altitude platform stations (HAPS). We consider a three-dimensional (3D) aerial highway scenario where
UAVs must adapt their motion to ensure collision avoidance, efficient traffic flow, and reliable communication under dynamic and partially observable conditions. We first model the problem as a hierarchical multi-objective partially observable Markov decision process (H-MO-POMDP), capturing the coupling between control and communication objectives. Based on this formulation, we propose a large
language model (LLM)-driven hierarchical multi-rate control framework. At the global level, an LLM-based controller on the HAPS performs long-term planning for load balancing and handover decisions. At the local level, each
UAV employs a hybrid controller that integrates a slow-timescale LLM for high-level spatial
reasoning with a reinforcement learning
agent for faster
UAV-to-infrastructure (U2I) communication and motion control. We further develop a high-fidelity 3D simulation platform by integrating the gym-pybullet-drones environment with 3GPP-compliant RF/THz channel models. Numerical results demonstrate that the proposed framework significantly outperforms state-of-the-art baselines, achieving a 14% increase in transportation efficiency and a 25% improvement in telecommunication throughput. Additionally, it achieves a 23% reduction in physical collision rates, demonstrating strong handover stability and zero-shot generalization in dynamic scenarios.
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All authors Zijiang Yan, Hao Zhou, Wael Jaafar, Jianhua Pei, Ping Wang, Halim Yanikomeroglu, Hina Tabassum
Machine Learning
CTFusion: A CTF-based Benchmark for LLM Agent Evaluation
Dongjun Lee, Ga-eun Bae and Insu Yun
Recent advances in Large
Language Models (LLMs) have enabled agentic systems for complex, multi-step tasks; cybersecurity is emerging as a prominent application. To evaluate such
agents, researchers widely adopt Capture The Flag (CTF)
benchmarks. However, current CTF
benchmarks reuse existing challenges, which exposes them to data contamination and potential cheating. Notably, we confirmed these issues in practice by integrating web search tools into an existing
agent. To address these limitations, we present CTFusion, a streaming evaluation framework built on Live CTFs. To achieve this, CTFusion preserves per-
agent independence under a single team account and reduces competition impact by forwarding only the first correct flag per challenge. Moreover, we implement CTFusion as a Model Context Protocol (MCP) server on the widely used CTFd platform, which offers broad applicability to diverse CTF events and
agent types. Through experiments with three LLMs, two
agents, and five Live CTFs, we demonstrate that existing CTF
benchmarks can be unreliable in assessing LLM-based
agents, while CTFusion can serve as a robust solution for evaluating cybersecurity
agents. We release CTFusion as open source to foster future research in this area.
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Machine Learning · Cross-listed from cs.AI
The Evaluation Differential: When Frontier AI Models Recognise They Are Being Tested
Varad Vishwarupe, Nigel Shadbolt, Marina Jirotka et al. (+1 more)
Recent published evidence from frontier laboratories shows that contemporary AI models can recognise evaluation contexts, latently represent them, and behave differently under those contexts than under deployment-continuous conditions. Anthropic's BrowseComp incident, the Natural
Language Autoencoder findings on SWE-bench Verified and destructive-coding evaluations, and the OpenAI / Apollo anti-scheming work all document instances of this phenomenon. We argue that these findings create a claim-validity problem for safety conclusions drawn from frontier evaluations. We introduce the Evaluation Differential (ED), a conditional divergence in a target behavioural property between recognised-evaluation and deployment-continuous contexts, define a normalised effect-size form (nED) for cross-property comparison, and prove that marginal evaluation scores cannot identify ED. We develop a typology of safety claims (ED-stable, ED-degraded, ED-inverted, ED-undetermined) by their warrant-status under documented divergence, and specify TRACE (Test-Recognition Audit for Claim Evaluation), an audit protocol that wraps existing evaluation infrastructure and produces restricted claims rather than capability scores. We apply the framework retrospectively to three publicly documented evaluation incidents and discuss governance implications for system cards, conformity assessment, and the international network of AI safety and security institutes. TRACE does not eliminate
adversarial adaptation; it disciplines the claims drawn from evaluation evidence by making explicit the conditions under which that evidence was produced.
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All authors Varad Vishwarupe, Nigel Shadbolt, Marina Jirotka, Ivan Flechais
Machine Learning
Understanding and Preventing Entropy Collapse in RLVR with On-Policy Entropy Flow Optimization
Huimin Xu, Shuai Zhao, Xiaobao Wu et al. (+1 more)
Reinforcement learning with verifiable rewards (RLVR) has become an effective paradigm for improving the
reasoning ability of large
language models. However, widely used RLVR
algorithms, such as GRPO, often suffer from
entropy collapse, leading to premature determinism and unstable optimization. Existing remedies, including
entropy regularization and ratio-based clipping heuristics, either control
entropy in a coarse-grained manner or rely on approximate on-policy training. In this paper, we revisit
entropy collapse from a
token-level
entropy flow perspective. Our analysis reveals that
entropy-decreasing
tokens consistently outweigh
entropy-increasing ones, resulting in a severely imbalanced
entropy flow. This perspective provides a unified explanation of
entropy collapse in existing RLVR
algorithms and highlights the importance of balancing
entropy dynamics. Motivated by this analysis, we propose On-Policy
Entropy Flow Optimization (OPEFO), an adaptive
entropy flow balancing mechanism that rescales
entropy-increasing and
entropy-decreasing updates according to their contributions to
entropy change, while remaining strict on-policy. Experiments on six mathematical
reasoning benchmarks demonstrate that OPEFO improves training stability and final performance. We will release the code and models upon publication.
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All authors Huimin Xu, Shuai Zhao, Xiaobao Wu, Anh Tuan Luu
Machine Learning
Adaptive Calibration in Non-Stationary Environments
Junyan Liu, Haipeng Luo and Lillian J. Ratliff
Making calibrated online predictions is a central challenge in modern AI systems. Much of the existing literature focuses on fully
adversarial environments where outcomes may be arbitrary, leading to conservative
algorithms that can perform suboptimally in more benign settings, such as when outcomes are nearly stationary. This gap raises a natural question: can we design online prediction
algorithms whose calibration error automatically adapts to the degree of non-stationarity in the environment, smoothly interpolating between i.i.d. and
adversarial regimes? We answer this question in the affirmative and develop a suite of
algorithms that achieve adaptive calibration guarantees under multiple calibration measures. Specifically, with $T$ being the number of rounds, $K$ being the unknown number of i.i.d. segments of the environment, and $C\in[0,T]$ being another unknown non-stationary measure defined as the minimal $\ell_1$ deviation of the mean outcomes, our
algorithms attain $\widetilde{O}(\min\{\sqrt{T}+(TC)^{\frac{1}{3}}, \sqrt{KT}\})$ for $\ell_1$ calibration error and $\widetilde{O}(\min\{(1+C)^{\frac{1}{3}}, K\})$ for both $\ell_2$ and pseudo KL calibration error. These bounds match the optimal rates in the stationary case ($C=0$ and $K=1$) and recover known guarantees in the fully
adversarial regime ($C, K=\Omega(T)$). Our approach builds on and extends prior work [Hu et al., 2026, Luo et al., 2025], introducing an epoch-based scheduling together with a novel non-uniform partition of the prediction space that allocates finer resolution near the underlying ground truth.
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Machine Learning
Efficient Adjoint Matching for Fine-tuning Diffusion Models
Jeongwoo Shin, Dongsoo Shin, Yuchen Zhu et al. (+5 more)
Reward fine-tuning has become a common approach for aligning pretrained
diffusion and flow models with human preferences in text-to-image generation. Among reward-gradient-based methods, Adjoint Matching (AM) provides a principled formulation by casting reward fine-tuning as a
stochastic optimal control (SOC) problem. However, AM inevitably requires a substantial computational cost: it requires (i)
stochastic simulation of full generative trajectories under memoryless dynamics, resulting in a large number of function evaluations, and (ii) backward ODE simulation of the adjoint state along each sampled trajectory. In this work, we observe that both bottlenecks are closely tied to the non-trivial base drift inherited from the pretrained model. Motivated by this observation, we propose Efficient Adjoint Matching (EAM), which substantially improves training efficiency by reformulating the SOC problem with a linear base drift and a correspondingly modified terminal cost. This reformulation removes both sources of inefficiency; it enables training-time sampling with a few-step deterministic ODE solver and yields a closed-form adjoint solution that eliminates backward adjoint simulation. On standard text-to-image reward fine-tuning
benchmarks, EAM converges up to 4x faster than AM and matches or surpasses it across various metrics including PickScore, ImageReward, HPSv2.1, CLIPScore and Aesthetics.
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All authors Jeongwoo Shin, Dongsoo Shin, Yuchen Zhu, Wei Guo, Yongxin Chen, Joonseok Lee, Jaewoong Choi, Jaemoo Choi
Machine Learning · Cross-listed from cs.AI
TOPPO: Rethinking PPO for Multi-Task Reinforcement Learning with Critic Balancing
Yuanpeng Li, Gefei Lin, Annie Qu et al. (+1 more)
Soft Actor-Critic (SAC) and its variants dominate Multi-Task Reinforcement Learning (MTRL) due to their off-policy sample efficiency, while on-policy methods such as Proximal Policy Optimization (PPO) remain underexplored. We diagnose that PPO in MTRL suffers from a previously overlooked issue: critic-side gradient ill-conditioning, which may cause tail tasks to stall while easy tasks dominate the value function's updates. To address this, we propose TOPPO (Tail-Optimized PPO), a reformulation of PPO via Critic Balancing – a set of modules that improve gradient conditioning and balance learning dynamics across tasks. Unlike prior approaches that rely on modular architectures or large models, TOPPO targets the optimization bottleneck within PPO itself. Empirically, on the Meta-World+ MT50
benchmark, TOPPO achieves stronger mean and tail-task performance than prior SAC-family and ARS-family methods while using substantially fewer parameters and reaching their final performance in fewer environment steps. Notably, TOPPO matches or surpasses strong SAC baselines early in training and maintains superior performance at full budget. Ablations confirm the effectiveness of each module in TOPPO and provide insights into their interactions. Our results demonstrate that, with proper optimization, on-policy methods can rival or exceed off-policy approaches in MTRL, challenging the prevailing reliance on SAC and highlighting critic-side gradient conditioning as the central bottleneck.
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All authors Yuanpeng Li, Gefei Lin, Annie Qu, Rui Miao
Machine Learning
On the Approximation Complexity of Matrix Product Operator (MPO) Born Machines
Chao Li, Zerui Tao, Yuchen Cong et al. (+2 more)
Matrix product operator Born machines (MPO-BMs) are tractable tensor-network models for probabilistic modeling, yet their approximation capabilities remain poorly understood in theory. In this paper, we characterize these capabilities from both negative and positive perspectives. As a negative result, we prove that constructing a
polynomial-bond MPO-BM approximation to an arbitrary continuous target with bounded KL error is NP-hard. On the positive side, for score-based variational inference, we prove that targets satisfying a log-Sobolev inequality admit
polynomial-bond MPO-BM approximations with provable KL guarantees when the loss-induced
Hamiltonian is local and has a constant spectral gap. Furthermore, under the same conditions, we construct local importance-sampling
estimators and prove that polynomially many local score queries suffice to preserve the KL guarantees.
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All authors Chao Li, Zerui Tao, Yuchen Cong, Jian Xu, Qibin Zhao
Machine Learning
Robust Multi-Agent Path Finding under Observation Attacks: A Principled Adversarial-Plus-Smoothing Training Recipe
Riad Ahmed
Decentralized multi-
agent path finding (MAPF) routes a team of
agents on a shared grid, each acting from its own local view. The standard solution trains one shared neural policy with Proximal Policy Optimization (PPO), a popular on-policy reinforcement learning
algorithm. Such a policy works well on clean observations, but a small input perturbation on one
agent often changes its action, which then blocks a neighbour, and the team jams. In this paper we present two training recipes that keep the same network and the same deployment loop, yet make the policy hold up under perturbed observations. The first recipe, Adv-PPO, trains the shared policy against worst-case perturbations of its own input and selects the checkpoint by performance under
adversarial perturbation. The second recipe, Adv-PPO+MACER, fine-tunes that checkpoint with a small on-policy smoothness term whose gradient follows the certified radius of randomized smoothing. On POGEMA with 8x8 maps and four
agents, the unprotected PPO policy reaches 95.8% clean success but only 2.5% under the strongest attack. Adv-PPO recovers worst-case success to 59.2% at one percentage point of clean cost. Adv-PPO+MACER recovers it to 77.5% +/- 6.0% across three independent seeds at less than one percentage point of clean cost. We support these numbers with per-attack curves, a certified action-stability sanity check (which measures the smoothed-policy wrapper, not the deployed argmax policy), and side-by-side rollout storyboards that show the failure mode and the fix inside one environment instance.
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Machine Learning
Drop the Act: Probe-Filtered RL for Faithful Chain-of-Thought Reasoning
Swapnil Parekh and Naman Goyal
Reasoning models post-hoc rationalize answers they have already committed to internally, producing chains of *
reasoning theater*: deliberative-looking steps that contribute nothing to correctness. This wastes inference
tokens, pollutes interpretability, and obscures what the model actually computed. We introduce **ProFIL** (**Pro**be-**Fil**tered Reinforcement Learning) to *reduce theater, increase chain-of-thought faithfulness, and shrink chain length* in a single, drop-in extension to Group Relative Policy Optimization (GRPO). A multi-head
attention probe is trained *once* on the *frozen* base model to detect post-commitment steps from internal activations alone; during GRPO, rollouts whose probe score exceeds a threshold have their advantage zeroed. *Our central finding is that a probe trained on a frozen base, with verifier-derived labels and no human annotation, provides a stable signal that suppresses theater while resisting the RL-obfuscation failure mode predicted by prior work.* Across four
reasoning domains (GSM8K, LiveCodeBench, ToolUse, MMLU-Redux) and two model architectures (Llama-8B, Qwen-7B), ProFIL reduces post-commitment theater by **11–100%**, raises faithful-fraction (e.g., +24pp on LiveCodeBench under an independent Claude 3.7 Sonnet judge), and shortens chains by 4–19%, all while preserving or improving task accuracy. ProFIL also beats a matched length-penalty GRPO baseline, isolating the gain as semantic commitment-detection rather than chain compression. Probe weights, training configurations, and rollouts are released across all four domains.
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Machine Learning · Cross-listed from cs.AI
Breaking $\textit{Winner-Takes-All}$: Cooperative Policy Optimization Improves Diverse LLM Reasoning
Haoxuan Chen, Tianming Liang, Wei-Shi Zheng et al. (+1 more)
Reinforcement learning with verifiers (RLVR) has become a central paradigm for improving LLM
reasoning, yet popular group-based optimization
algorithms like GRPO often suffer from exploration collapse, where the models prematurely converge on a narrow set of high-scoring patterns, lacking the ability to explore new solutions. Recent efforts attempt to alleviate this by adding
entropy regularization or diversity bonus. However, these approaches do not change the winner-takes-all nature, where rollouts still compete for individual advantage rather than cooperating for maximizing global diversity. In this work, we propose Group Cooperative Policy Optimization (GCPO), which shifts the training paradigm from rollout competition to team cooperation. Specifically, GCPO replaces independent rollout scoring with team-level credit assignment: a rollout is rewarded by how much it contributes to the team's valid solution coverage, rather than its individual accuracy. This coverage is described as a determinant volume over reward-weighted semantic
embeddings, where only correct and non-redundant rollouts contribute to this volume. During advantage estimation, GCPO redistributes the collective team reward to each single rollout according to its average marginal contribution to the team. This cooperative training paradigm routes optimization toward non-redundant correct
reasoning paths. Experiments across multiple
reasoning benchmarks demonstrate that GCPO significantly improves both
reasoning accuracy and solution diversity over existing approaches. Code will be released at https://github.com/bradybuddiemarch/gcpo.
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All authors Haoxuan Chen, Tianming Liang, Wei-Shi Zheng, Jian-Fang Hu
Machine Learning
Beyond Prediction: Interval Neural Networks for Uncertainty-Aware System Identification
Mehmet Ali Ferah and Tufan Kumbasar
System identification (SysID) is critical for modeling dynamical systems from experimental data, yet traditional approaches often fail to capture nonlinear behaviors. While deep learning offers powerful tools for modeling such dynamics, incorporating uncertainty quantification is essential to ensure reliable predictions. This paper presents a systematic framework for constructing and training interval Neural Networks (INNs) for uncertainty-aware SysID. By extending crisp neural networks into interval counterparts, we develop Interval LSTM and NODE models that propagate uncertainty through interval arithmetic without probabilistic assumptions. This design allows them to represent uncertainty and produce prediction intervals. For training, we propose two strategies: Cascade INN (C-INN), a two-stage approach converting a trained crisp NN into an INN, and Joint INN (J-INN), a one-stage framework jointly optimizing prediction accuracy and interval precision. Both strategies employ uncertainty-aware loss functions and parameterization tricks to ensure reliable learning. Comprehensive experiments on multiple SysID
datasets demonstrate the effectiveness of both approaches and
benchmark their performance against well-established uncertainty-aware baselines: C-INN achieves superior point prediction accuracy, whereas J-INN yields more accurate and better-calibrated prediction intervals. Furthermore, to reveal how uncertainty is represented across model parameters, the concept of channel-wise elasticity is introduced, which is used to identify distinct patterns across the two training strategies. The results of this study demonstrate that the proposed framework effectively integrates deep learning with uncertainty-aware modeling.
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Machine Learning · Cross-listed from cs.RO
Overcoming Dynamics-Blindness: Training-Free Pace-and-Path Correction for VLA Models
Yanyan Zhang, Chaoda Song, Vikash Singh et al. (+6 more)
Vision-
Language-Action (VLA) models achieve remarkable flexibility and generalization beyond classical control paradigms. However, most prevailing VLAs are trained under a single-frame observation paradigm, which leaves them structurally blind to temporal dynamics. Consequently, these models degrade severely in non-stationary scenarios, even when trained or finetuned on dynamic
datasets. Existing approaches either require expensive retraining or suffer from latency bottlenecks and poor temporal consistency across action chunks. We propose Pace-and-Path Correction, a training-free, closed-form inference-time operator that wraps any chunked-action VLA. From a single quadratic cost, joint minimization yields a unified solution that decomposes orthogonally into two distinct channels. The pace channel compresses execution along the planned direction, while the path channel applies an orthogonal spatial offset, jointly absorbing the perceived dynamics within the chunk window. We evaluate our approach on a comprehensive diagnostic
benchmark MoveBench designed to isolate motion as the sole controlled variable. Empirical results demonstrate that our framework consistently outperforms state-of-the-art training-free wrappers and dynamic-adaptive methods and improves success rates by up to 28.8% and 25.9% in absolute terms over foundational VLA models in dynamic-only and static-dynamic mixed environments, respectively.
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All authors Yanyan Zhang, Chaoda Song, Vikash Singh, Xinpeng Li, Kai Ye, Zhe Hu, Zhongzhu Pu, Yu Yin, Vipin Chaudhary