Authors: Pragya Sharma, Hang Qiu, Mani Srivastava
Abstract: The increasing deployment of deep neural networks (DNNs) in cyber-physical systems (CPS) enhances perception fidelity, but imposes substantial computational demands on execution platforms, posing challenges to real-time control deadlines. Traditional distributed CPS architectures typically favor on-device inference to avoid network variability and contention-induced delays on remote platforms. However, this design choice places significant energy and computational demands on the local hardware. In this work, we revisit the assumption that cloud-based inference is intrinsically unsuitable for latency-sensitive control tasks. We demonstrate that, when provisioned with high-throughput compute resources, cloud platforms can effectively amortize network and queueing delays, enabling them to match or surpass on-device performance for real-time decision-making. Specifically, we develop a formal analytical model that characterizes distributed inference latency as a function of the sensing frequency, platform throughput, network delay, and task-specific safety constraints. We instantiate this model in the context of emergency braking for autonomous driving and validate it through extensive simulations using real-time vehicular dynamics. Our empirical results identify concrete conditions under which cloud-based inference adheres to safety margins more reliably than its on-device counterpart. These findings challenge prevailing design strategies and suggest that the cloud is not merely a feasible option, but often the preferred inference location for distributed CPS architectures. In this light, the cloud is not as distant as traditionally perceived; in fact, it is closer than it appears.
Authors: Md Sirajul Islam, Isabelle G Chapman, N I Md Ashafuddula, Xu Yuan, Li Chen, Nian-Feng Tzeng, Klara Nahrstedt
Abstract: Federated Learning (FL) enables collaborative intelligence across decentralized data source devices in a privacy-preserving way. While substantial research attention has been drawn to optimizing the learning process for an individual task, real-world applications increasingly require multiple machine learning tasks simultaneously training their models across a shared pool of devices. Naively applying single-FL optimization techniques in multi-FL systems results in suboptimal system performance, particularly due to device heterogeneity and resource inefficiency. To address such a critical open challenge, we introduce {\em FedACT}, a novel resource heterogeneity-aware device scheduling approach designed to efficiently schedule heterogeneous devices across multiple concurrent FL jobs, with the goal of minimizing their average job completion time (JCT). {\em FedACT} dynamically assigns devices to FL jobs based on an alignment scoring mechanism that evaluates the compatibility between available resources of devices and resource demands of jobs. Additionally, it incorporates participation fairness to ensure balanced contributions from devices across jobs, further enhancing the accuracy levels of learned global models. An optimal scheduling plan is formulated in {\em FedACT} by prioritizing devices with higher alignment scores, while ensuring fair participation across jobs. To evaluate the effectiveness of the proposed scheduling algorithm, we carried out comprehensive experiments using diverse FL jobs and benchmark datasets. Experimental results demonstrate that {\em FedACT} reduces the average JCT by up to 8.3\(\times\) and improves model accuracy by up to 44.5\%, compared to the state-of-the-art baselines.
Authors: Kevin Chen, Kenneth W. Parker, Anish Arora
Abstract: Data-driven MoCap-to-radar models generate plausible micro-Doppler spectrograms, but do they actually learn the underlying physics? We introduce a physics-based interpretability framework to answer this question via two proposed complementary metrics: one measures alignment between model predictions and the physics-derived Doppler frequency, while the other tests whether predictions preserve the velocity-frequency relationship under velocity intervention. Both metrics require only MoCap input and model predictions, without access to measured radar data. Experiments across several model architectures reveal that low reconstruction error does not guarantee physical consistency: some, but not all, models achieve low error yet perform poorly on the two physics-based metrics. Further analysis shows that temporal attention is critical for transformer-based models to learn the underlying physics.
Authors: Kejia Bian, Meixia Tao, Jianhua Mo, Zhiyong Chen, Leyan Chen
Abstract: The success of large foundation models is catalyzing a new paradigm for AI-native 6G network design: wireless foundation models for physical layer design. However, existing models often operate on channel state information (CSI) in the space-time-frequency (STF) domain, where distinct multipath components are inherently superimposed and structurally entangled. This hinders the learning of universal channel representation. Meanwhile, their reliance on global attention mechanisms incurs prohibitive computational overhead. In this paper, we propose AirFM-DDA, an Air-interface Foundation Model operating in the Delay-Doppler-Angle (DDA) domain for physicallayer tasks. Specifically, AirFM-DDA reparameterizes CSI from the STF domain into the DDA domain to explicitly resolve multipath components along physically meaningful axes. It employs a window-based attention module augmented with framestructure-aware positional encoding (FS-PE). This window-based attention aligns with locally clustered multipath dependencies while avoiding quadratic-complexity global attention, and FS-PE injects frame-structure priors into network. Extensive experiments demonstrate that AirFM-DDA achieves superior zero-shot generalization across unseen scenarios and datasets, consistently outperforming the baselines on channel prediction and estimation tasks. Compared to the global attention, its window-based attention reduces training and inference costs by nearly an order of magnitude. Moreover, AirFM-DDA maintains robustness under high mobility, large delay spreads, severe noise, and extreme aliasing conditions.
Authors: Yanchen Guan, Haicheng Liao, Chengyue Wang, Zhenning Li
Abstract: Traffic accidents are routinely documented in textual reports, yet physically grounded accident reconstruction remains difficult because detailed scene measurements and expert reconstructions are scarce, costly and hard to scale. Here we formulate accident reconstruction from publicly accessible reports and scene measurements as a parameterized multimodal learning problem. We construct CISS-REC, a dataset of 6,217 real-world accident cases curated from the NHTSA Crash Investigation Sampling System, and develop a reconstruction framework that grounds report semantics to road topology and participant attributes, reconstructs lane consistent pre-impact motion, and refines collision relevant interactions through localized geometric reasoning and temporal allocation. Our method outperforms representative baselines on CISS-REC, achieving the strongest overall reconstruction fidelity, including improved accident point accuracy and collision consistency. These results show that public accident reports can serve as scalable computational substrates for quantitatively verifiable accident reconstruction, with potential value for traffic safety analysis, simulation and autonomous driving research.
Authors: T. Ansah-Narh, G. Y. Afrifa, J. B. Tandoh, K. Asare, M. Addi, K. E. Yorke, D. M. A. Akpoley, K. Aidoo, S. K. Fosuhene
Abstract: Groundwater in the Densu Basin is increasingly threatened by heavy metal contamination, but conventional methods fail to capture the statistical complexity and spatial heterogeneity of pollution indicators. A key challenge is modelling the Heavy Metal Pollution Index (HPI), which is typically skewed and affected by correlated contaminants, leading to biased predictions without transformation. This study develops a predictive framework integrating response transformations with nested cross-validated ensemble machine learning. Three transformations (raw, log, and Gaussian copula) were applied to HPI and evaluated across six learners: support vector regression (SVM), $k$-nearest neighbours (k-NN), CART, Elastic Net, kernel ridge regression, and a stacked Lasso ensemble. Raw-scale models produced deceptively high fits (Elastic Net and stacked ensemble $R^2 \approx 1.0$), suggesting over-optimism. The log transformation stabilised variance (SVM: $R^2 = 0.93$, RMSE $= 0.18$; k-NN: $R^2 = 0.92$, RMSE $= 0.20$). The Gaussian copula gave the most reliable results: stacked ensemble $R^2 = 0.96$ (RMSE $= 0.19$), with other learners maintaining high accuracy. Copula-based models improved residuals and produced spatially plausible maps. DBSCAN clustering revealed Fe and Mn as primary HPI contributors, consistent with regional hydrogeochemistry. Limitations include reliance on random (not spatial) cross-validation and basin-specific scope. Future work should explore spatial validation and other geological settings. Overall, distribution-aware ensembles with clustering diagnostics offer robust, interpretable assessments of groundwater contamination.
Authors: Mohammad Partohaghighi
Abstract: Information-theoretic generalization bounds analyze stochastic optimization by relating expected generalization error to the mutual information between learned parameters and training data. Virtual perturbation analyses of SGD add auxiliary Gaussian noise only in the proof, making mutual information tractable while leaving the actual SGD trajectory unchanged. Existing bounds, however, typically require perturbation covariances to be fixed independently of the optimization history, limiting their ability to represent geometries induced by moving gradient statistics, preconditioners, curvature proxies, and other pathwise information. We introduce predictable history-adaptive virtual perturbations, where the perturbation covariance at each iteration may depend on the past real SGD history but not on current or future randomness. This predictability enables a conditional Gaussian relative-entropy argument and yields generalization bounds for SGD with adaptive virtual-noise geometry. The bounds replace fixed sensitivity and gradient-deviation terms with conditional adaptive counterparts, include an output-sensitivity penalty from accumulated perturbation covariance, and reduce the deviation term to a conditional variance only under conditional unbiasedness. Since adaptive covariances may be data-dependent, we separate local Gaussian smoothing from global reference-kernel comparison. The resulting bound includes a covariance-comparison cost measuring the KL price of using an admissible reference geometry different from the actual adaptive covariance. Fixed-noise-style bounds are recovered under admissible synchronization, such as deterministic, public, or prefix-observable covariance rules. The framework recovers fixed isotropic and geometry-aware bounds as special cases while extending virtual perturbation analysis to history-dependent SGD without modifying the algorithm.
Authors: Ricardo Luna Gutierrez, Sahand Ghorbanpour, Ejaz Rahman, Varchas Gopalaswamy, Riccardo Betti, Vineet Gundecha, Aarne Lees, Soumyendu Sarkar
Abstract: Inertial Confinement Fusion (ICF) holds transformative promise for sustainable, near-limitless clean energy, yet remains constrained by prohibitively high costs and limited experimental opportunities. This paper presents Human-in-the-Loop Meta Bayesian Optimization (HL-MBO), a framework that integrates expert knowledge with few-shot, uncertainty-aware machine learning to accelerate discovery in data-scarce, high-stakes scientific domains. HL-MBO introduces a meta-learned surrogate model with an expert-informed acquisition function to recommend candidate experiments. To foster trust and enable informed decisions, HL-MBO also provides interpretable explanations of its suggestions. We show HL-MBO outperforms current BO methods on ICF energy yield optimization, as well as benchmarks in molecular optimization and critical temperature maximization for superconducting materials.
Authors: Christopher Holder, Anthony Bagnall
Abstract: Elastic distances like dynamic time warping (DTW) are central to time series machine learning because they compare sequences under local temporal misalignment. Soft-DTW is an adaptation of DTW that can be used as a gradient-based loss by replacing the hard minimum in its dynamic-programming recursion with a smooth relaxation. However, this approach does not directly extend to elastic distances whose transition costs depend on the local alignment context. Move-Split-Merge (MSM) is one such distance: it uses context-aware split and merge penalties and has often outperformed DTW in supervised and unsupervised time series machine learning tasks such as classification and clustering. We introduce Soft-MSM, a smooth relaxation of MSM and an elastic alignment loss with context-aware transition costs. Central to the formulation is a smooth gated surrogate for MSM's piecewise split/merge cost, which enables gradients through both the dynamic-programming recursion and the local transition structure. We derive the forward recursion, backward recursion, soft alignment matrix, closed-form gradient, limiting behaviour, and divergence-corrected formulation. Experiments on 112 UCR datasets show that Soft-MSM gives lower MSM barycentre loss than existing MSM barycentre methods, and yields significantly better clustering and nearest-centroid classification performance than Soft-DTW-based alternatives. An implementation is available in the open-source \texttt{aeon} toolkit.
Authors: Edgar Chaillou, Sebastian Rodriguez, Yves Tourbier, Francisco Chinesta
Abstract: We present CRADIPOR, a numerical dispersion prediction tool for automotive crash simulations. Finite Element (FE) crash models are widely used throughout vehicle development, but their predictions are not strictly repeatable because of parallel computation and model complexity. As a result, performance criteria evaluated during post-processing may exhibit significant numerical dispersion, which complicates engineering decision-making. Although dispersion can be estimated by repeating the same simulation, this approach is generally impractical because of its high computational cost. This work therefore investigates a prediction tool that can be applied during routine crash-simulation post-processing without repeating the computation. The proposed approach relies on a Rank Reduction Autoencoder (RRAE) combined with supervised classification in order to identify regions sensitive to numerical dispersion. The comparative analysis suggests that the RRAE-based framework is more effective than the Random Forest baseline on the studied dataset. Among the tested signal representations, wavelet-based and slope-based inputs appear to be the most promising, with slope variations providing the best classification performance. These results support the use of structured latent representations for improving numerical-dispersion detection in automotive crash post-processing.
Authors: Shalini Sarode, Brian Moser, Joachim Folz, Federico Raue, Tobias Nauen, Stanislav Frolov, Andreas Dengel
Abstract: The Forward-Forward (FF) algorithm presents a compelling, bio-inspired alternative to backpropagation. However, while efficient in training, it has a computationally prohibitive inference process that requires a separate forward pass for every class that is evaluated. In this work, we introduce the Hyperspherical Forward-Forward (HFF), a novel reformulation that resolves this critical bottleneck. Our core innovation is to reframe the local objective of each layer from a binary goodness-of-fit task to a direct multi-class classification problem within a hyperspherical feature space. We achieve this by learning a set of class-specific, unit-norm prototypes that act as geometric anchors and implicit negatives. This architectural innovation preserves the benefits of local training while enabling weight update and inference in a single forward pass, making it >40x faster than the original FF algorithm. Our method is simple to implement, scales effectively to modern convolutional architectures, and achieves superior accuracy on standard image classification benchmarks, closing the gap with backpropagation. Most notably, we are among the first greedy local-learning methods to report over 25% top-1 accuracy on ImageNet-1k, and 65.96% with transfer learning.
Authors: Daniel Azenkot, Michael Fire, Eran Ben Elia
Abstract: Accurate forecasting of bus ridership (passengers numbers) is crucial for efficient management and optimization of public transport systems. Traditional forecasting models often fail to capture the unique and localized dynamics of different urban areas by treating the entire city as a single, homogeneous region. This paper introduces a novel framework that enhances bus ridership prediction by integrating a spatial clustering methodology with multi-dimensional feature analysis. The proposed framework utilizes a diverse set of data, including bus ridership data (by route number, time, and bus stop) complemented by a variety of open source data, such as spatial features (e.g., attractive destinations), meteorological conditions (e.g., temperature, rainfall), and temporal patterns (e.g., time of day, day of week). By clustering the urban area into distinct regions, based on the principle that bus stops in close proximity share similar ridership characteristics, a separate local forecasting model is trained for each of these clusters. This localized approach demonstrates an accuracy comparable to that of global models. The findings suggest that a spatially-aware, localized modeling strategy is effective for public transport prediction, paving the way for more targeted and efficient service improvements.
Authors: Arnaud Zinflou
Abstract: Generative models for time-series imputation achieve strong reconstruction accuracy, yet provide no finite-sample reliability guarantees, a critical limitation in power systems where imputed values inform dispatch and planning. We introduce SPLICE (Self-supervised Predictive Latent Inpainting with Conformal Envelopes), a modular framework coupling latent generative imputation with distribution-free, online-adaptive prediction intervals. A JEPA encoder maps daily load segments into a 64-dimensional latent space; a conditional latent bridge with four sampling modes generates candidate gap trajectories; an hourly-conditioned decoder maps back to signal space; and Adaptive Conformal Inference (ACI) wraps the output with coverage-guaranteed prediction bands. The flow-matching variant achieves comparable quality to DDIM in 5--10 ODE steps (5-10x speedup). On thirteen load datasets (nine proprietary, three UCI Electricity, ETTh1), SPLICE achieves the lowest mean Load-only MSE (0.056), winning 9/12 non-degenerate datasets at 91-day gaps and 18/32 across all gap lengths vs. five established baselines, and produces the best CRPS (0.161, -18.3% vs. the strongest competitor). ACI delivers 93--95% empirical coverage, correcting under-coverage failures of up to 7.5 pp observed with static conformal prediction. A pooled JEPA encoder trained on nine feeds transfers to four unseen domains, matching or exceeding per-dataset oracles with only a quick bridge fine-tuning.
Authors: Huayu Li, ZhengXiao He, Xiwen Chen, Jingjing Wang, Siyuan Tian, Jinghao Wen, Ao Li
Abstract: Learning meaningful representations from medical time series (MedTS) such as ECG or EEG signals is a critical challenge. These signals are often high-dimensional, variable-length and rife with noise. Existing self-supervised approaches, such as Masked Autoencoders (MAEs) are highly effective for pre-training general-purpose encoders. However, they do not explicitly learn compact and semantically interpretable latent representations, typically relying on heuristic aggregation strategies such as global average pooling or a designated [CLS] token. We propose a novel framework that compresses a variable-length MedTS into a fixed-size set of $k$ latent Fingerprint Tokens. Our architecture employs a cross-attention bottleneck to generate these tokens and is trained with a dual-objective function. The first objective is a reconstruction loss, which ensures the tokens are \textit{sufficient statistics} for the original data. The second, a diversity penalty based on the Total Coding Rate (TCR), explicitly minimizes the redundancy between tokens, encouraging them to become statistically \textit{disentangled} representations. We present the theoretical justification for our method, framing it as a novel \textbf{Disentangled Rate-Distortion} problem. This approach produces a low-dimensional, interpretable, and sample-efficient representation, where each token is encouraged to capture an independent factor of variation, paving the way for more robust digital biomarkers.
Authors: Debasis Dwibedy, Avyay Nishtala, Pranathi Mukku, D Snehaja
Abstract: Modern crop advisory systems exhibit a critical limitation termed \textit{economic blindness}. These systems primarily optimize for biological yield, often overlooking market price, which can lead farmers toward agronomically sound yet financially unviable decisions. In this paper, we develop Kisan AI, a smart profit-aware crop advisory system that resolves the above-mentioned limitation through a research-driven, full-stack application. We train the Random Forest(RF) classifier model on a nine-feature benchmark dataset, the standard seven agronomic attributes augmented with a \textit{market\_price} variable, and evaluated against eight baseline models, considering the evaluation matrices, such as, accuracy, precision, recall, F1-score, and Log Loss. The RF model achieves the highest accuracy of 99.3\% and the lowest Log Loss, confirming that the inclusion of market price as a predictive feature is both valid and impactful. We then implement the RF model within a multilingual progressive Web App alongside a Facebook Prophet six-month price forecasting engine and a MobileNetV2 disease detection module. A nine-language AI chatbot powered by the Anthropic Claude API unifies all modules into a single, mobile-installable platform accessible to farmers across India.
Authors: YiFeng Wang, Zhun Sun, Keisuke Sakaguchi
Abstract: We present Activation Residual Hessian Quantization (ARHQ), a post-training weight splitting method designed to mitigate error propagation in low-bit activation-weight quantization. By constructing an input-side residual Hessian from activation quantization residuals (G_x), ARHQ analytically identifies and isolates error-sensitive weight directions into a high-precision low-rank branch. This is achieved via a closed-form truncated SVD on the scaled weight matrix W G^{1/2}_x . Experimental results on Qwen3-4B-Thinking-2507 demonstrate that ARHQ significantly improves layer-wise SNR and preserves downstream reasoning performance on ZebraLogic even under aggressive quantization. The code is available at https://github.com/BeautMoonQ/ARHQ.
Authors: Yikai Wang, Shang Liu, Jose Blanchet
Abstract: Reinforcement learning from human feedback (RLHF) has become a core post-training step for aligning large language models, yet the reward signal used in RLHF is only a learned proxy for true human utility. From an operations research perspective, this creates a decision problem under objective misspecification: the policy is optimized against an estimated reward, while deployment performance is determined by an unobserved objective. The resulting gap leads to reward over-optimization, or Goodharting, where proxy reward continues to improve even after true quality deteriorates. Existing mitigations address this problem through uncertainty penalties, pessimistic rewards, or conservative constraints, but they can be computationally burdensome and overly pessimistic. We propose Wasserstein distributionally robust regret optimization (DRRO) for RLHF. Instead of pessimizing worst-case value as in standard DRO, DRRO pessimizes worst-case regret relative to the best policy under the same plausible reward perturbation. We study the promptwise problem through a simplex allocation model and show that, under an $\ell_1$ ambiguity set, the inner worst-case regret admits an exact solution and the optimal policy has a water-filling structure. These results lead to a practical policy-gradient algorithm with a simple sampled-bonus interpretation and only minor changes to PPO/GRPO-style RLHF training. The framework also clarifies theoretically why DRRO is less pessimistic than DRO, and our experiments show that DRRO mitigates over-optimization more effectively than existing baselines while standard DRO is systematically over-pessimistic.
Authors: Hasan Amin, Yuan Gao, Yaser Souri, Subhojit Som, Ming Yin, Rajiv Khanna, Xia Song
Abstract: Diffusion language models (DLMs) are an attractive alternative to autoregressive models because they promise sublinear-time, parallel generation, yet practical gains remain elusive as high-quality samples still demand hundreds of refinement steps. In continuous domains, consistency training along the probability-flow ODE is a popular recipe to accelerate diffusion. For discrete diffusion, no analogous sample-space ODE exists, making direct adaptation ill-defined. We argue that the natural discrete substitute is not a deterministic trajectory but its stochastic counterpart: the exact posterior bridge, available in closed form for broad corruption families including masked and uniform diffusion. Building on this observation, we introduce Multi-Path Discrete Consistency (MPDC), a new principle that trains a denoiser to be path-invariant in expectation across these stochastic bridges, and instantiate it as the Consistent Diffusion Language Model (CDLM), a single-stage, teacher-free training framework. A single CDLM objective unifies masked diffusion, continuous consistency models, and progressive/discrete distillation as analytic limits or empirical approximations of one common view. Empirically, CDLM establishes a new state of the art on both conditional and unconditional text-generation, consistently outperforming strong base discrete diffusion models and often even multi-stage distilled baselines across sampling budgets, with the largest gains in the few-step regime. Together, these results position CDLM as a principled and scalable foundation for the next generation of fast, high-fidelity discrete generative modeling.
Authors: Xinyou Wang, Liang Hong, Jiasheng Ye, Zaixiang Zheng, Yu Li, Shujian Huang, Quanquan Gu
Abstract: Proteins are shaped by gradual evolution under biophysical and functional constraints. Protein language models learn rich evolutionary constraints from large-scale sequences, and discrete diffusion-based protein language models~(\eg, DPLMs) are promising for both understanding and generation. However, existing DPLMs typically rely on masking-based absorbing diffusion that contradicts a simple biological intuition: proteins evolve through accumulated edits, not by emerging from masks. Consequently, these frameworks lack explicit pretraining objectives for substitution and insertion/deletion (indel) operations, limiting both optimization-style post-editing and flexible guided generation. To address these limitations, we present DPLM-Evo, an evolutionary discrete diffusion framework that explicitly predicts substitution, insertion, and deletion operations during denoising. DPLM-Evo decouples an upsampled-length latent alignment space from the variable-length observed sequence space, which makes indel-aware generation tractable and enables adaptive scaffold growth throughout the process with negligible computational overhead. To better align substitutions with real evolution, we further introduce a contextualized evolutionary noising kernel that produces biologically informed, context-dependent mutation patterns. Across tasks, DPLM-Evo improves sequence understanding and achieves state-of-the-art mutation effect prediction performance on ProteinGym in the single-sequence setting. It also enables variable-length simulated evolution, and post-editing/optimization of existing proteins via explicit edit trajectories.
Authors: Karim Alghoul, Faisal Mohd, Fedwa Laamarti, Hussein Al Osman, Abdulmotaleb El Saddik
Abstract: With the growing integration of human-computer interaction into everyday life, advances in machine learning have enabled systems to better perceive and respond to users' emotional states. Most existing affect recognition datasets focus on static environments, limiting their applicability to immersive multimedia contexts such as Virtual Reality (VR). In this paper, we introduce WARM-VR, a novel publicly available multimodal dataset designed to support affect recognition in immersive, multisensory environments using wearable sensing instrumentation. Data were collected from 31 participants aged 19-37 using wearable sensors: a wristband measuring Blood Volume Pulse (BVP), EDA, skin Temperature, three-axis Acceleration, and a chest strap recording ECG signals. Participants engaged in immersive VR experiences designed to elicit relaxation through a calming beach environment following stress induction via an arithmetic task. These sessions incorporated synchronized multimedia stimuli: visual, auditory, and olfactory. Affective states were assessed subjectively through validated self-report questionnaires and objectively through the analysis of physiological measurements. Statistical analysis of the questionnaires confirmed that VR relaxation significantly reduced negative affect, particularly with olfactory enhancement. Furthermore, we established a benchmark on the dataset using widely recognized machine learning algorithms. The best performance for binary classification from BVP data of valence, was obtained with a CNN and a CNN-Bi-GRU model, both achieving an average F1-score of 0.63 and an AUC of 0.69. For arousal, a lightweight Transformer architecture provided the most balanced results (F1-0 0.54 and F1-1 0.63), outperforming recurrent hybrids. In the relaxation task, a CNN-Bi-GRU model reached the highest overall performance (average F1-score 0.64, AUC 0.69).
Authors: Mohammad Hossein Moslemi, Nima Hosseini Dashtbayaz, Zhimin Mei, Boyu Wang, Bissan Ghaddar
Abstract: Dataset Distillation aims to compress a large dataset into a small synthetic one while maintaining predictive performance. We show that as different demographic groups exhibit distinct predictive patterns, the distillation process struggles to simultaneously preserve informative signals for all subgroups, regardless of whether group sizes are mildly or severely imbalanced. Consequently, models trained on distilled data can experience substantial performance drops for certain subgroups, leading to fairness gaps. Crucially, these gaps do not disappear by merely correcting group imbalance, since they stem from fundamental mismatches in subgroup predictive patterns rather than from sample-size disparities alone. We therefore formally analyze the interaction between these two sources of bias and cast the solution as identifying a group-imbalance-agnostic barycenter of the predictive information that induces similar representations across all subgroups. By distilling toward this shared aggregate representation, we show that group fairness concerns can be reduced. Our approach is compatible with existing distillation methods, and empirical results show that it substantially reduces bias introduced by dataset distillation.
Authors: Renjun Hu, Hyun-Soo Ahn
Abstract: Many machine learning systems make constrained decisions by optimizing factorized objectives, but the context-specific objective is often treated as fixed. We study contextual decision-weight learning: from logged decisions and proxy outputs, learn an optimizer-facing weight vector w(x) over interpretable decision factors z(x,d), rather than a direct policy or generic predictive score. We propose OTSS, an output-targeted soft-segmentation model that deploys the personalized decision-ready weight vector. At the function-class level, the theory highlights a hard-versus-soft distinction. Hard partitions incur an approximation-estimation tradeoff under overlap, while a realizable fixed-K soft class removes the hard-partition approximation floor and attains a parametric rate. We evaluate OTSS in controlled benchmarks with finite evaluation libraries, where the true weight vector and downstream regret can be computed exactly. In the representative overlap setting, OTSS attains the lowest mean regret among the comparators, including EM mixture regression, the strongest soft-mixture baseline in our comparison; it matches EM on coefficient recovery while running about two orders of magnitude faster. In a matched K=5 benchmark, OTSS remains competitive under hard-routed truth and improves as heterogeneity becomes softer and sample size grows. On a fixed Complete Journey retail anchor with real household covariates and action geometry, OTSS again achieves the lowest mean-regret point estimate.
Authors: Roman Klypa, Oleksandr Cherednichenko
Abstract: Supervised Fine-Tuning (SFT) is essential for aligning Large Language Models (LLMs) with user intent, yet it is believed to suppress generative diversity. Although this reduction is frequently referenced, formal empirical testing of the phenomenon remains limited. The expressiveness of LLMs by itself was addressed by multiple prior methods. Their varying perspectives suggest that deeper analysis could yield further improvements. In this study, we attribute the decline to two primary drivers: the neglect of low-frequency patterns within fine-tuning datasets and the forgetting of preexisting knowledge. Motivated by our theoretical analysis, we develop Tempered Focal (TOFU) loss, a novel objective that addresses both stated challenges simultaneously. Our extensive evaluation confirms at scale that generation breadth narrows after SFT and strengthens the hypothesis explaining this effect. Across multiple models and benchmarks, we demonstrate that TOFU enhances output diversity while preserving high response quality, offering a principled approach to SFT.
Authors: Thea Aviss
Abstract: Current transformers discard their rich latent residual stream between positions, reconstructing latent reasoning context at each new position and leaving potential reasoning capacity untapped. The State Stream Transformer (SST) V2 enables parameter-efficient reasoning in continuous latent space through an FFN-driven nonlinear recurrence at each decoder layer, where latent states are streamed horizontally across the full sequence via a learned blend. This same mechanism supports continuous latent deliberation per position at inference time, dedicating additional FLOPs to exploring abstract reasoning before committing to a token. A two-pass parallel training procedure resolves the sequential dependency of the recurrence to allow compute-efficient training. Hidden state analysis shows the state stream facilitates reasoning through exploration of distinct semantic basins in continuous latent space, where transitions at content-dependent positions move the model into a substantially different Bayesian posterior, directly influencing the latent space at future positions. We also find, via a learned probe, that at the first generated token position, the latent state already predicts whether the eventual answer will survive or break under additional latent computation for every subsequent position. Co-trained into an existing 27B backbone using only a small dataset of GSM8K examples, the SST delivers a +15.15 point gain over a fine-tuning-matched baseline on out-of-distribution GPQA-Diamond and cuts that same baseline's remaining GSM8K errors by 46%, together showing that the reasoning improvement is attributable to the architectural mechanism rather than scale or training data. On GPQA-Diamond, the resulting 27B SST also achieves higher accuracy than several larger open-weight and proprietary systems, including open-weight models up to 25 times larger.
Authors: Gabriel Vogel, Minouk Noordsij, Evgeny Pidko, Jana M. Weber
Abstract: Chemical reaction datasets such as USPTO suffer from substantial incompleteness, frequently missing byproducts, co-reactants, and stoichiometric coefficients. This limits their applicability and reliability in downstream applications. Here, we introduce CompleteRXN, a large-scale supervised benchmark for reaction completion under realistic missing-data conditions. We construct a dataset of aligned incomplete and atom-balanced reactions by mapping USPTO records to curated mechanistic reactions. We evaluate representative baselines, including a novel encoder-decoder reaction completion model with constrained decoding, the Constrained Reaction Balancer (CRB), and a recent algorithmic method, SynRBL. On our CompleteRXN benchmark, the CRB achieves high performance across splits of increasing difficulty, reaching 99.20% equivalence accuracy on the random split and 91.12% on the extreme out-of-distribution split. SynRBL produces many balanced and chemically plausible completions, but with lower accuracy on the benchmark test splits. Across all methods, performance degrades with increasing incompleteness. We observe a substantial drop when evaluating on reactions outside the benchmark (full uncurated USPTO), highlighting the gap between benchmark performance and practical robustness and motivating future work.
Authors: Jesse Schneider, William J. Welch
Abstract: Bayesian optimization is a sequential method for minimizing objective functions that are expensive to evaluate and about which few assumptions can be made. By using all gathered data to train a Gaussian process model for the function and adaptively employing a mixture of global exploration and local exploitation, this method has been used for optimization in many fields including machine learning, automotive engineering and reinforcement learning. However, the standard method suffers from two problems: 1) with cubic computational complexity in the training-set size it eventually becomes computationally infeasible to train the model, and 2) globally modeling the objective function is not necessarily optimal given the local nature of minimization. Using flexible and recursive binary partitioning of the search space, we adapt both the modeling and acquisitive aspects of standard Bayesian optimization to work harmoniously with the partitioning scheme, thereby ameliorating both standard shortcomings. We compare our method against a commonly used Bayesian optimization library on seven challenging test functions, ranging in dimensionality from $6$ to $124$, and show that our method achieves superior optimization performance in all tests. In addition our method has linear computational complexity.
Authors: Bimol Nath Roy, Rahul Golder, MM Faruque Hasan
Abstract: Nonlinear Parametric Optimization Network (NLPOpt-Net) is an unsupervised learning architecture to solve constrained nonlinear programs (NLP). Given the structure of an NLP, it learns the parametric solution maps with guaranteed constraint satisfaction. The architecture consists of a backbone neural network (NN) followed by a multilayer ($k$-layered) projection. While the NN drives toward optimality through a loss function consisting of a modified Lagrangian augmented with a consistency loss, the projection ensures feasibility by projecting the NN predictions in the original constraint manifold. Instead of typical distance minimization, our projection exploits local quadratic approximations of the original NLP. Under certain conditions (such as convexity), the projection has a descent property, which improves the NN predictions further. NLPOpt-Net deploys an inversion-free, modified Chambolle-Pock algorithm to solve the constrained quadratic projections during the forward pass and uses the implicit function theorem for efficient backpropagation. The fixed structure of the projection further allows decoupling of the NN and the projection once the training is complete. NLPOpt-Net solves large-scale convex QP, QCQP, NLP, and nonconvex problems with near zero optimality gap and constraint violations reduced to machine precision. Additionally, it provides near accurate prediction of the active sets and corresponding dual variables, thereby enabling a scalable approach for multiparametric programming. Compiling the projection in C provides order of magnitude improvement in inference time compared to JAX. We provide the codes and NLPOpt-Net as a ready to use package that includes GPU support.
Authors: Claire Chen, Yuheng Zhang
Abstract: Offline multi-agent reinforcement learning in general-sum settings is challenged by the distribution shift between logged datasets and target equilibrium policies. While standard methods rely on manual pessimistic penalties, we demonstrate that KL regularization suffices to stabilize learning and achieve equilibrium recovery. We propose General-sum Anchored Nash Equilibrium (GANE), which recovers regularized Nash equilibria at an accelerated statistical rate of $\widetilde{O}(1/n)$. For computational tractability, we develop General-sum Anchored Mirror Descent (GAMD), an iterative algorithm converging to a Coarse Correlated Equilibrium at the standard rate of $\widetilde{O}(1/\sqrt{n}+1/T)$. These results establish KL regularization as a standalone mechanism for pessimism-free offline learning that achieves equivalent or accelerated rates in multi-player general-sum games.
Authors: Sahil Mishra, Srinitish Srinivasan, Sourish Dasgupta, Tanmoy Chakraborty
Abstract: Real-world knowledge is often organized as hierarchies such as product taxonomies, medical ontologies, and label trees, yet learning hierarchical representations is challenging due to asymmetric structure and noisy semantics. We introduce Polaris, a polar hyperspherical embedding framework that separates semanticity from hierarchy using angular geometry and radius, enabling the learning of meaning and structure without interference. To map latent representation onto the sphere, we project it to the tangent space at the north pole, apply the exponential map, and learn unit-norm representations using spherical linear layers. Polaris then combines robust local constraints, global regularization that prevents geometric collapse, and uncertainty-aware asymmetric objectives that encourage directional containment. At inference time, Polaris uses structure-guided retrieval to efficiently narrow down candidate parents before final ranking. We evaluate Polaris on different settings of taxonomy expansion - spanning trees, multi-parent DAGs, and multimodal hierarchies, showing consistent improvements of up to ~19 points in top-K retrieval and up to ~60% reduction in mean rank over fourteen strong baselines.
Authors: Daniel Zhu, Zihan Wang, Jenny Bao, Jerry Wei
Abstract: As language model safeguards become more robust, attackers are pushed toward developing increasingly complex jailbreaks. Prior work has found that this complexity imposes a "jailbreak tax" that degrades the target model's task performance. We show that this tax scales inversely with model capability and that the most advanced jailbreaks effectively yield no reduction in model capabilities. Evaluating 28 jailbreaks on five benchmarks across Claude models ranging in capability from Haiku 4.5 to Opus 4.6, we find Haiku 4.5 loses an average of 33.1% on benchmark performance when jailbroken, while Opus 4.6 at max thinking effort loses only 7.7%. We also observe that across all models, reasoning-heavy tasks display considerably more degradation than knowledge-recall tasks. Finally, Boundary Point Jailbreaking, currently the strongest jailbreak against deployed classifiers, achieves near-perfect classifier evasion with near-zero degradation across safeguarded models. We recommend that safety cases for frontier models should not rely on a meaningful capability degradation from jailbreaks.
Authors: Aleksandar Armacki, Haoyuan Cai, Ali H. Sayed
Abstract: We study high-probability (HP) convergence guarantees in decentralized stochastic optimization, where multiple agents collaborate to jointly train a model over a network. Existing HP results in decentralized settings almost exclusively focus on the Decentralized Stochastic Gradient Descent ($\mathtt{DSGD}$) algorithm, which requires strong assumptions, such as bounded data heterogeneity, or strong convexity of each agent's cost. This is contrary to the mean-squared error (MSE) results, where methods incorporating bias-correction techniques are known to converge under relaxed assumptions and achieve better practical performance. In this paper we provide the first step toward bridging the gap, by studying HP convergence of $\mathtt{DSGD}$ incorporating the gradient tracking technique, in the presence of noise satisfying a relaxed sub-Gaussian condition. We show that the resulting method, dubbed $\mathtt{GT-DSGD}$, achieves order-optimal HP convergence rates for both non-convex and Polyak-\L{}ojasiewicz costs, of order $\mathcal{O}\Big(\frac{\log(1/\delta)}{\sqrt{nT}}\Big)$ and $\mathcal{O}\Big(\frac{\log(1/\delta)}{nT}\Big)$, respectively, where $n$ is the number of agents, $T$ is the time horizon and $\delta \in (0,1)$ is the confidence parameter. Our results establish that $\mathtt{GT-DSGD}$ converges in the HP sense under the same conditions on the cost as in the MSE sense, while achieving comparable transient times. To the best of our knowledge, these are the first HP guarantees for decentralized optimization methods incorporating bias-correction. Numerical experiments on real and synthetic data verify our theoretical findings, underlining the superior performance of $\mathtt{GT-DSGD}$ and highlighting that the benefits of incorporating bias-correction are also maintained in the HP sense.
Authors: Matteo Raviola, Benjamin Peherstorfer
Abstract: Dirac-Frenkel instantaneous residual minimization evolves nonlinear parametrizations of PDE solutions in time, but ill-conditioning can render the parameter dynamics non-unique. We interpret this non-uniqueness as a gauge freedom: nullspace directions that leave the time derivative unchanged can be used to select better-conditioned parameter velocities. Building on Onsager's minimum-dissipation principle, we introduce a history variable -- interpretable as momentum -- and inject it only along the nullspace directions. The resulting Dirac-Frenkel-Onsager dynamics preserve instantaneous residual minimization, in contrast to standard regularization that can introduce bias, while promoting temporally smooth parameter evolutions. Examples demonstrate that the approach leads to increased robustness in singular and near-singular regimes.
Authors: Bingzheng Gan, Tianyi Zhang, Yusu Li, Jing Huang, Wei Shi, Yangkai Ding, Tao Yu
Abstract: The scalability of Large Language Models to long sequences is hindered by the quadratic cost of attention and the limitations of positional encodings. To address these, we introduce Caracal, a novel architecture that replaces attention with a parameter-efficient, $\mathcal{O}(L \log L)$ Multi-Head Fourier (MHF) module. Our contributions are threefold: (1) We leverage the Fast Fourier Transform (FFT) for sequence mixing, inherently addressing both bottlenecks mentioned above. (2) We apply a frequency-domain causal masking technique that enforces autoregressive capabilities via asymmetric padding and truncation, overcoming a critical barrier for Fourier-based generative models. (3) Unlike efficient models relying on hardware-specific implementations (e.g., Mamba), we uses standard library operators. This ensures robust portability, eliminating common deployment barriers. Evaluations demonstrate that Caracal performs competitively with Transformer and SSM baselines, offering a scalable and simple pathway for efficient long-sequence modeling. Code is available in Appendix.
Authors: Param Budhraja, Aditya Gangrade, Alex Olshevsky, Venkatesh Saligrama
Abstract: Deploying reinforcement learning policies in the real world requires adapting to time-varying environments. We study this problem in the contextual Markov Decision Process (cMDP) framework, where a family of environments is indexed by a low-dimensional context unknown at test time. The standard approach decomposes the problem: train a so-called "universal policy" which assumes knowledge of the true context, then pair it with a context estimator which approximates context using the observed trajectory. We identify a simple, counterintuitive trick that substantially improves the estimator: randomly delete a fraction of the training buffer after each round. This works because data is collected across multiple rounds using progressively better policies, and older trajectories come from a different distribution than what the estimator will face at deployment time; random deletion creates an implicit exponential decay on older data while preserving diversity without requiring any explicit identification of which samples are stale. This reduces robustness gap by 30% for MLPs and by 6% on average for recurrent networks. Strikingly, it allows a narrow MLP with 5x fewer parameters to outperform a wide MLP trained without deletion. To understand when and why deletion helps, we analyze regularized empirical risk minimization with a mismatch between the train distribution and the distribution at deployment; in this idealized setting, we prove that removing a single uniformly random training point decreases expected test loss in expectation under mild conditions. For ridge regression we make this quantitative: deletion helps when the regularization coefficient is moderate and the signal-to-noise ratio (SNR) is sufficiently low, and, crucially, this SNR threshold gives a direct measure of how large the distribution mismatch between training and deployment must be for deletion to be beneficial.
Authors: Shengchao Chen, Guodong Long
Abstract: Federated weather modeling on sensor data is a distributed system underpinned by federated learning, enabling multiple sensor data sources, including ground weather stations, satellites and IoT devices, to collaboratively train deep learning models without sharing raw data. This method safeguards data privacy and security while leverages diverse, geographically distributed datasets to improve the accuracy and robustness of global/regional weather modeling tasks such as forecasting and anomaly detection.
Authors: Purav Matlia, Christian Moya, Guang Lin
Abstract: Operator learning enables fast surrogate modeling of high-dimensional dynamical systems, but existing approaches face two fundamental limitations: quadratic inference complexity and unreliable uncertainty quantification in safety-critical settings. We propose Conformalized Quantum DeepONet Ensembles, a framework that addresses both challenges simultaneously. By leveraging Quantum Orthogonal Neural Networks (QOrthoNNs), we reduce operator inference complexity from O(n^2) to O(n), enabling scalable evaluation over fine discretizations. To provide rigorous uncertainty quantification, we combine ensemble-based epistemic modeling with adaptive conformal prediction, yielding distribution-free coverage guarantees. A key challenge in ensembling is that naive parallelism scales hardware resources linearly with the number of models. We resolve this by using Superposed Parameterized Quantum Circuits (SPQCs), which compress multiple ensemble members into a single circuit and enable simultaneous multi-model execution. Experiments on synthetic partial differential equations and real-world power system dynamics demonstrate that our approach achieves accurate predictions while maintaining calibrated uncertainty under realistic quantum noise. These results establish a practical pathway toward scalable, uncertainty-aware operator learning in quantum machine learning.
Authors: Abay Bektursun
Abstract: Frozen Gemma 4 31B weights pretrained exclusively on text tokens, unmodified, transfer across modality boundaries through a thin trainable interface. (1) OGBench scene-play-singletask-task1-v0: $+4.33$pt over published GCIQL at $n=3$ with std 0.74 -- a published-SOTA win on a robotic manipulation task the substrate has never seen. (2) D4RL Walker2d-medium-v2: Decision-Transformer parity ($76.2 \pm 0.8$, $n=3$) at $0.43\times$ DT's trainable count, with the frozen substrate compressing to a 5L slice ($+1.66$pt over the 6L baseline at $n=3$). (3) Associative recall as the cleanest pretraining-load-bearing case: the frozen slice + a 113K-parameter linear interface reaches L30 best-checkpoint per-bit error 0.0505 ($n=2$); a 6.36M-parameter from-scratch trained transformer at matched capacity ($1/\sqrt{d_k}$ scaling, two seeds, LR sweep) cannot solve the task at all under the protocol (best L30 = 0.4395), an $8.7\times$ advantage. Architecture-alone falsifications: a frozen random transformer with correct $1/\sqrt{d_k}$ scaling stays at random-chance loss for 50k steps; a random-init Gemma slice fails OGBench cube-double-play-task1 entirely (0.89% across $n=3$ where pretrained reaches 60%). A dual-measurement protocol -- text-activation probing on 95 English sentences plus task-ablation on a non-language target -- names individual heads independently identifiable on both protocols: head L26.28 scores $3.7\times$ the slice mean for English token-copying and is the #2 most-critical head for binary copy ablation ($\Delta$ L30 $= +0.221$); three further heads (L27.28, L27.2, L27.3) classify by the same protocol. The mechanism is single-model and the cross-modality results are single-task within their respective benchmarks; cross-model replication is structurally constrained because Gemma 4 31B is the only model on the small-scale Pareto frontier as of April 2026.
Authors: Zichen Liu, Tiejun Li
Abstract: Sampling the free energy surface, namely, the distribution of collective variables (CVs), is a crucial problem in statistical physics, as it underpins a better understanding of chemical reactions and conformational transitions. Traditional methods for free energy surface sampling involve simulation in high-dimensional configuration space and projecting the resulting configurations onto the CV space. To reduce the computational costs of such sampling, we propose FES-FM, a reduced flow matching (FM) method for free energy sampling (FES). We train a dynamical transport map in the CV space, thereby enabling direct sampling of the free energy surface. For many-particle systems, we construct a prior distribution based on the Hessian at a local minimum of the potential, which ensures both rotation-translation invariance and physically meaningful configurations. We evaluate the proposed method across a variety of potential functions and collective variables. Comparative experiments demonstrate that our approach drastically reduces computational costs while delivering superior accuracy per unit sampling time.
Authors: Chengshuai Shi, Wenzhe Li, Xinran Liang, Yizhou Lu, Wenjia Yang, Ruirong Feng, Seth Karten, Ziran Yang, Zihan Ding, Gabriel Sarch, Danqi Chen, Karthik Narasimhan, Chi Jin
Abstract: Given the rapidly growing capabilities of vision-language models (VLMs), extending them to interactive decision-making tasks such as video games has emerged as a promising frontier. However, existing approaches either rely on large-scale supervised fine-tuning (SFT) on human trajectories or apply reinforcement learning (RL) only in relatively short-horizon settings (typically around 20--30 turns). In this work, we study RL-based training of VLMs for long-horizon decision-making in Super Mario Land, a visually grounded environment requiring 100+ turns of interaction with coordinated perception, reasoning, and action. We begin with a systematic investigation of key algorithmic components and propose an adapted variant of PPO with a lightweight turn-level critic, which substantially improves training stability and sample efficiency over critic-free methods such as GRPO and Reinforce++. We further show that pretrained VLMs provide strong action priors, significantly improving sample efficiency during RL training and reducing the need for manual design choices such as action engineering, compared to classical deep RL trained from scratch. Building on these insights, we introduce Odysseus, an open training framework for VLM agents, achieving substantial gains across multiple levels of the game and at least 3 times average game progresses than frontier models. Moreover, the trained models exhibit consistent improvements under both in-game and cross-game generalization settings, while maintaining general-domain capabilities. Overall, our results identify key ingredients for making RL stable and effective in long-horizon, multi-modal settings, and provide practical guidance for developing VLMs as embodied agents.
Authors: Xin Liu, Yuhang He, Sichen Zhao, Kejian Tong, Xingyu Zhang
Abstract: Root cause localization in cloud native microservice systems requires modeling complex service dependencies, irregular temporal dynamics, and heterogeneous observability data. We present HyperODE RCA, a unified framework that combines hypergraph attention learning, latent ordinary differential equations, and multimodal cross attention fusion for fine grained root cause analysis. The method learns higher order service interactions through differentiable hyperedge construction, captures continuous anomaly evolution from irregular observations with an ODE RNN encoder, and adaptively fuses logs, traces, metrics, entities, and events using context aware modality routing. We further improve robustness with a variational information bottleneck, temporal causal regularization, and invariant risk constraints. Experiments on the Tianchi AIOps benchmark show clear gains over strong baselines in ranking and classification performance, while preserving interpretability through learned hypergraph attention.
Authors: Farshad Noravesh, Reza Haffari, Layki Soon, Arghya Pal
Abstract: Many diffusion based molecule generation methods ignore the symbolic information of molecules and represent the atom and bond type as one hot representation. Methods based on Morgan fingerprints produce hash collisions and are hard to embed into a continuous space without information loss and random fingerprints correspond to no valid molecule. To circumvent this issue we use another paradigm and consider atom and bond codes as latent variables of VQ-VAE. We introduce VQ-SAD which first trains a VQ-VAE and uses the frozen pretrained VQ-VAE model and considers the codebooks for both atom and bond types as tokenizers for the downstream diffusion process. VQ-SAD is a neuro-symbolic model that utilizes both symbolic and neural structural information for a diffusion based model with learnable forward process. The large discrete code space provides a more balanced atom and bond types which enhances the denoising process. VQ-VAE slightly outperforms SOTA models for diffusion based molecule generation on QM9 and ZINC250k datasets.
Authors: Yair Shenfeld, Ricardo Baptista, Stefano Peluchetti
Abstract: Flow-based generative modeling in continuous spaces exploit Tweedie's formula to express the denoiser (learned in training) as a score function (used in sampling). In contrast, this relation has been largely missing in the discrete setting where common approaches focus on learning discrete scores and rates. In this work we close this gap for discrete non-negative ordinal data by introducing Binomial flows. Our framework provides a simple recipe for training a discrete diffusion model which simultaneously denoises, samples, and estimates exact likelihoods. We verify our methodology on synthetic examples and obtain competitive results on real-world data sets.
Authors: Anamika Lochab, Bolian Li, Ruqi Zhang
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has achieved substantial gains in single-attempt accuracy (Pass@1) on reasoning tasks, yet often suffers from reduced multi-sample coverage (Pass@K), indicating diversity collapse. We identify a structural cause for this degradation: common RLVR objectives, such as GRPO, are indifferent to how probability mass is distributed among correct solutions. Combined with stochastic training dynamics, this indifference induces a self-reinforcing collapse, in which probability mass concentrates on a narrow subset of correct outputs while alternative valid solutions are suppressed. We formalize this collapse mechanism and further characterize the optimal policy structure under two complementary criteria: robustness and entropy-regularized optimality, which identify the Uniform-Correct Policy as uniquely optimal. Motivated by this analysis, we propose Uniform-Correct Policy Optimization (UCPO), a modification to GRPO that adds a conditional uniformity penalty on the policy's distribution over correct solutions. The penalty redistributes gradient signal toward underrepresented correct responses, encouraging uniform allocation of probability mass within the correct set. Across three models (1.5B-7B parameters) and five mathematical reasoning benchmarks, UCPO improves Pass@K and diversity while maintaining competitive Pass@1, achieving up to +10\% absolute improvement on AIME24 at Pass@64 and up to 45\% higher equation-level diversity within the correct set. The code is available at https://github.com/AnamikaLochab/UCPO.
Authors: Chenyu Huang, Jianghao Lin, Zhengyang Tang, Bo Jiang, Ruoqing Jiang, Benyou Wang, Lai Wei
Abstract: We study how large language models can be used to evolve inventory policies in online, non-stationary environments. Our work is motivated by recent advances in LLM-based evolutionary search, such as AlphaEvolve, which demonstrates strong performance for static and highly structured problems such as mathematical discovery, but is not directly suited to online dynamic inventory settings. To this end, we propose AlphaInventory, an end-to-end inventory-policy evolution and inference framework grounded in confidence-interval-based certification. The framework trains a large language model using reinforcement learning, incorporates demand data as well as numerical and textual features beyond demand, and generates white-box inventory policy with statistical safety guarantees for deployment in future periods. We further introduce a unified theoretical interface that connects training, inference, and deployment. This allows us to characterize the probability that the AlphaInventory evolves a statistically safe and improved policy, and to quantify the deployment gap relative to the oracle-safe benchmark. Tested on both synthetic data and real-world retail data, AlphaInventory outperforms classical inventory policies and deep learning based methods. In canonical inventory settings, it evolves new policies that improve upon existing benchmarks.
Authors: Chunlei Meng, Pengbin Feng, Rong Fu, Hoi Leong Lee, Xiaojing Du, Zhaolu Kang, Zeyu Zhang, Weilin Zhou, Chun Ouyang, Zhongxue Gan
Abstract: Centralized multimodal learning commonly compresses language, acoustic, and visual signals into a single fused representation for prediction. While effective, this paradigm suffers from two limitations: modality dominance, where optimization gravitates towards the path of least resistance, ignoring weaker but informative modalities, and spurious modality coupling, where models overfit to incidental cross-modal correlations. To address these, we propose Group Cognition Learning (GCL), a governed collaboration paradigm that applies a two-stage protocol after modality-specific encoding. In Stage 1 (Selective Interaction), a Routing Agent proposes directed interaction routes, and an Auditing Agent assigns sample-wise gates to emphasize exchanges that yield positive marginal predictive gain while suppressing redundant coupling. In Stage 2 (Consensus Formation), a Public-Factor Agent maintains an explicit shared factor, and an Aggregation Agent produces the final prediction through contribution-aware weighting while keeping each modality representation as a specialization channel. Extensive experiments on CMU-MOSI, CMU-MOSEI, and MIntRec demonstrate that GCL mitigates dominance and coupling, establishing state-of-the-art results across both regression and classification benchmarks. Analysis experiments further demonstrate the effectiveness of the design.
Authors: Duanyu Feng, Li Ding, Hongru Liang, Wenqiang Lei
Abstract: Edge classification, a crucial task for graph applications, remains relatively under-explored compared to link prediction. Current methods often overlook the potential causal influences of node features on edge features, leading to a loss of relevant prior information. In this work, we present an empirical exploration using the Causal Edge Classification Framework (CECF). Unlike conventional causal inference methods, CECF is the first framework to apply causal inference principles to the edge classification task and to explore modeling edge features as a high-dimensional treatment within a causal framework. Based on the node embedding of Graph Neural Network (GNN), CECF seeks to learn a balanced representation of high-dimensional edge features by mitigating the potential influence of node features. Then, a cross-attention network captures the complex dependencies between node and edge features for final edge classification.Extensive experiments demonstrate that CECF not only achieves superior performance but also serves as a flexible, plug-and-play enhancement for existing methods.We also provide empirical analyses, offering insights into when and how this high-dimensional causal modeling framework works for the edge classification.
Authors: Zihan Lin, Xiaohan Wang, Jie Cao, Jiajun Chai, Li Wang, Xiaodong Lu, Wei Lin, Ran He, Guojun Yin
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) enhances reasoning of Large Language Models (LLMs) but usually exhibits limited generation diversity due to the over-incentivization of positive rewards. Although methods like Negative Sample Reinforcement (NSR) mitigate this issue by upweighting penalty from negative samples, they may suppress the semantic distributions shared between positive and negative responses. To boost reasoning ability without losing diversity, this paper proposes negative sample projection Residual Reinforcement Learning (ResRL) that decouples similar semantic distributions among positive and negative responses. We theoretically link Lazy Likelihood Displacement (LLD) to negative-positive head-gradient interference and derive a single-forward proxy that upper-bounds representation alignment to guide conservative advantage reweighting. ResRL then projects negative-token hidden representations onto an SVD-based low-rank positive subspace and uses projection residuals to modulate negative gradients, improving reasoning while preserving diversity and outperforming strong baselines on average across twelve benchmarks spanning Mathematics, Code, Agent Tasks, and Function Calling. Notably, ResRL surpasses NSR on mathematical reasoning by 9.4\% in Avg@16 and 7.0\% in Pass@128. Code is available at https://github.com/1229095296/ResRL.git.
Authors: Jianfeng Li, Feng Wang, Ke Tang
Abstract: Physics-Informed Neural Networks have become a powerful mesh-free method for solving partial differential equations, but their performance is often limited by spectral bias. Specifically, in standard MLPs used in PINNs, the global parameter coupling causes the model to prioritize learning low-frequency components, resulting in slow convergence for high-frequency details. To overcome this limitation, we introduce the Physics-Informed Local Implicit Representation (PILIR). Our approach separates the global physical domain into a discrete latent feature space and a continuous generative decoder. By using a learnable grid to encode explicit spatial locality, PILIR can capture high-frequency details locally, preventing dilution by global patterns. A generative neural operator then synthesizes these local latent features into continuous physical fields, allowing accurate reconstruction of fine-scale structures. Experiments on a range of challenging PDEs show that PILIR effectively mitigates spectral bias, thereby boosting the convergence of high-frequency details and achieving superior accuracy compared to state-of-the-art methods.
Authors: Yingtao Zheng, Hugo Phibbs, Ninh Pham
Abstract: We present \textit{CluProp}, a novel framework that reimagines varied-density clustering in high-dimensional spaces as a label propagation process over neighborhood graphs. Our approach formally bridges the gap between density-based clustering and graph connectivity, leveraging efficient propagation mechanisms from network science to mitigate the parameter sensitivity inherent in traditional density-based methods. Specifically, we introduce a deterministic density-based propagation strategy to ensure scalable neighborhood identification. The framework is agnostic to the choice of distance metric and exhibits superior performance on large-scale data, processing millions of points in minutes while consistently outperforming existing baselines in accuracy.
Authors: Haichen Hu, Jian Qian, David Simchi-Levi
Abstract: Reinforcement learning (RL) in large environments often suffers from severe computational bottlenecks, as conventional regret minimization algorithms require repeated, costly calls to planning and statistical estimation oracles. While recent advances have explored offline oracle-efficient algorithms, their computational complexity typically scales with the cardinality of the state and action spaces, rendering them intractable for large-scale or continuous environments. In this paper, we address this fundamental limitation by studying offline oracle-efficient episodic RL through the lens of log-barrier and log-determinant regularization. Specifically, for tabular Markov Decision Processes (MDPs), we propose a novel algorithm that achieves the optimal $\tilde{O}(\sqrt{T})$ regret bound while requiring only $O(H\log\log T)$ calls to both the offline statistical estimation and planning oracles when $T$ is known and $O(H\log T)$ calls when $T$ is unknown. Crucially, this oracle complexity is entirely independent of the size of the state and action spaces. This strict independence drastically reduces the planning oracle complexity, representing a substantial improvement over existing offline oracle-efficient algorithms (Qian et al., 2024). Furthermore, we demonstrate the versatility of our framework by generalizing the algorithm to linear MDPs featuring infinite state spaces and arbitrary action spaces. We prove that this generalized approach successfully attains meaningful sub-linear regret. Consequently, our work yields the first doubly oracle-efficient (i.e., efficient with respect to both statistical estimation and policy optimization) regret minimization algorithm capable of solving MDPs with infinite state and action spaces, significantly expanding the boundaries of computationally tractable RL.
Authors: Satoshi Noguchi, Yoshinobu Kawahara
Abstract: We present Mesh Field Theory (MeshFT) and its neural realization, MeshFT-Net: a structure-preserving framework for mesh-based continuum physics that cleanly separates the physics' topological structure from its metric structure. Imposing minimal physical principles (locality, permutation equivariance, orientation covariance, and energy balance/dissipation inequality), we prove a reduction theorem for mesh-based physics. Under these conditions, the physical dynamics admit a local factorization into a port-Hamiltonian form: the conservative interconnection is fixed uniquely by mesh topology, whereas metric effects enter only through constitutive relations and dissipation. This reduction clarifies what must be fixed and what should be learned, directly informing MeshFT-Net's design. Across evaluations on analytic and realistic datasets, physics-consistency tests, and out-of-distribution validation, MeshFT-Net achieves near-zero energy drift and strong physical fidelity (correct dispersion and momentum conservation) along with robust extrapolation and high data efficiency. By eliminating non-physical degrees of freedom and learning only metric-dependent structure, MeshFT provides a principled inductive bias for stable, faithful, and data-efficient learning-based physical simulation.
Authors: J. Jake Nichol, Michael Weylandt, G. Matthew Fricke, Jhayron Perez-Carrasquilla, Melanie E. Moses
Abstract: Causal graph discovery for space-time systems is challenging in high-dimensional gridded data, which often has many more grid cells than temporal observations per cell. The Causal Space-Time Stencil Learning (CaStLe) meta-algorithm was developed to address that niche under space-time locality and stationarity assumptions, but it is currently limited to univariate analyses. In this work, we present M-CaStLe. M-CaStLe generalizes the local embedding and parent-identification phases of CaStLe to jointly model local within-variable and cross-variable space-time causal structures in gridded data. Like CaStLe, by constraining candidate parents to a constant-size space-time neighborhood and pooling spatial replicates, M-CaStLe increases effective sample size to make discovery tractable in high-dimensional settings. We further decompose the resulting multivariate stencil graph into reaction and spatial graphs to aid interpretation in complex settings. We study M-CaStLe in four settings: a multivariate space-time vector autoregression benchmark with known ground truth, an advective-diffusive-reaction partial differential equation verification problem with derived physical reference structure, an atmospheric chemistry case study in a low-temporal-sample regime, and an El Ni\~{n}o Southern Oscillation study on reanalysis data, identifying phase-dependent ocean--atmosphere coupling. Across these settings, M-CaStLe more accurately recovers multivariate causal structure in controlled settings and identifies important physical dynamics in real-world case studies. Overall, M-CaStLe advances causal discovery for multivariate space-time systems while retaining interpretability at the grid level.
Authors: Sai Niranjan Ramachandran, Suvrit Sra
Abstract: Decision trees and diffusion models are ostensibly disparate model classes, one discrete and hierarchical, the other continuous and dynamic. This work unifies the two by establishing a crisp mathematical correspondence between hierarchical decision trees and diffusion processes in appropriate limiting regimes. Our unification reveals a shared optimization principle: \emph{Global Trajectory Score Matching (GTSM)}, for which gradient boosting (in an idealized version) is asymptotically optimal. We underscore the conceptual value of our work through two key practical instantiations: \treeflow, which achieves competitive generation quality on tabular data with higher fidelity and a 2\times computational speedup, and \dsmtree, a novel distillation method that transfers hierarchical decision logic into neural networks, matching teacher performance within 2\% on many benchmarks.
Authors: Jiale Fu, Yuchu Jiang, Peijun Wu, Chonghan Liu, Joey Tianyi Zhou, Xu Yang
Abstract: Model ensembling is a well-established technique for improving the performance of machine learning models. Conventionally, this involves averaging the output distributions of multiple models and selecting the most probable label. This idea has been naturally extended to large language models (LLMs), yielding improved performance but incurring substantial computational cost. This inefficiency stems from directly applying conventional ensemble implementation to LLMs, which require a separate forward pass for each model to explicitly compute the ensemble distribution. In this paper, we propose the Mixture-model-like Ensemble (ME). By reinterpreting the ensemble as a mixture model, ME stochastically selects a single model at each step to generate the next token, thereby avoiding the need to explicitly compute the full ensemble distribution. ME is mathematically equivalent to sampling from the ensemble distribution, but requires invoking only one model, making it 1.78x-2.68x faster than conventional ensemble. Furthermore, this perspective connects LLM ensembling and token-level routing methods, suggesting that LLM ensembling is a special case of routing methods. Our findings open new avenues for efficient LLM ensembling and motivate further exploration of token-level routing strategies for LLMs. Our code is available at https://github.com/jialefu/Mixture-model-like-Ensemble/.
URLs: https://github.com/jialefu/Mixture-model-like-Ensemble/.
Authors: Zhixiong Zhao, Zukang Xu, Dawei Yang
Abstract: Large language models (LLMs) have driven major progress in NLP, yet their substantial memory and compute demands still hinder practical deployment. Binarization can compress weights to 1 bit, fundamentally lowering compute and bandwidth cost. However, existing methods cannot address activation heavy tails and thus must keep activations in high precision, preventing true end-to-end acceleration. To overcome this limitation, we propose BWLA (Binarized Weights and Low-bit Activations), the first post-training quantization framework that preserves high accuracy while achieving 1-bit weight quantization together with low-bit activations (e.g., 6 bits). The Orthogonal-Kronecker Transformation (OKT) learns an orthogonal mapping via EM minimization, converting unimodal weights into symmetric bimodal forms while suppressing activation tails and incoherence. The Proximal SVD Projection (PSP) then performs lightweight low-rank refinement through proximal SVD projection, further enhancing quantizability with minimal overhead. On Qwen3-32B, BWLA reaches a Wikitext2 perplexity of 11.92 under 6-bit activations (vs. 38 from SOTA), improves five zero-shot tasks by more than 70%, and delivers 3.26 times inference speedup, demonstrating strong potential for real-world LLM compression and acceleration.
Authors: Qincheng Lu, Sitao Luan, Xiao-Wen Chang
Abstract: In wireless communications, recovering the optimal solution to the multiple-input multiple-output (MIMO) detection problem is NP-hard. Obtaining high-quality suboptimal solutions with a favorable performance-complexity trade-off is particularly challenging in under-determined systems with $N_t$ transmit antennas and $N_r < N_t$ receive antennas. Recent diffusion-based MIMO detectors have shown promise, but they require extensive sampling iterations at inference time, and their performance degrades in under-determined scenarios. We propose GD4, a graph-based discrete denoising diffusion method for MIMO detection. Unlike existing diffusion-based detectors that operate in a continuous relaxed space, GD4 performs denoising directly in the discrete symbol space and enables fast inference with one or a few denoising evaluations. Numerical results show that, under a similar inference-time compute budget, GD4 produces higher-quality suboptimal solutions than existing diffusion-based detectors and some widely used classical baseline including box-constrained Babai point and the $K$-best box-constrained randomized Klein-Babai point in both under-determined and overdetermined settings.
Authors: Yu-Hsueh Fang, Chia-Yen Lee
Abstract: Online Conformal Prediction (CP) struggles to balance temporal adaptability and structural stability. Feedback-driven methods (e.g., Adaptive Conformal Inference (ACI)) suffer from systemic marginal under-coverage and high interval variance during abrupt shifts, while temporally discounted Bayesian CP suffers from severe structural lag and uncalibrated interval bloat. We propose State-Adaptive Bayesian Conformal Prediction (SA-BCP) to achieve optimal spatio-temporal decoupling. By gating long-term temporal inertia with spatial kernel-density evidence, SA-BCP proactively expands intervals for recognized historical regimes while maintaining tight efficiency during stable states. We rigorously prove this mechanism's optimality, identifying a minimax bias-variance tradeoff governed by an evidence threshold $K$. Extensive benchmarks on volatile financial datasets (2016--2026), including AMD, Gold, and GBP/USD, demonstrate that SA-BCP consistently minimizes the strictly proper Winkler score across diverse confidence levels. Specifically, SA-BCP resolves the systematic under-coverage inherent to ACI variants while simultaneously reducing the uncalibrated interval bloat of Bayesian CP by 10\% to 37\% under high-confidence requests. By elegantly navigating this tradeoff, SA-BCP achieves an optimal balance between conditional reliability and predictive efficiency.
Authors: Hongrui Zheng, Liejun Wang, Zhiqing Guo
Abstract: The advancement of generalized deepfake disruption is constrained by the interruption imbalance, a fundamental bottleneck inherent to the generation of universal perturbations. We reveal that conventional static gradient normalization fundamentally struggles to resolve architectural conflicts, causing the optimization to bias towards susceptible models while neglecting resistant ones. We argue that achieving high and uniform effectiveness requires resolving this imbalance by reaching an adaptive equilibrium. We propose the Adaptive Equilibrium Framework (AEF), which employs a dynamic weighting mechanism that utilizes real-time loss feedback to adaptively assign greater interruption weights to the most resistant models. This approach shifts the optimization from an average-case problem to finding a dynamic balance, driving the perturbation to a uniformly effective equilibrium state. Comprehensive experiments validate that AEF achieves a more balanced interruption performance, maintaining a consistent interruption success rate across the evaluated diverse architectures.
Authors: Xinshuai Dong, Haifeng Chen, Xuyuan Liu, Shengyu Chen, Haoyu Wang, Shaoan Xie, Kun Zhang, Zhengzhang Chen
Abstract: Large Language Models have achieved remarkable success and are increasingly deployed in critical applications involving tabular data, such as Table Question Answering. However, their robustness to the structure of this input remains a critical, unaddressed question. This paper demonstrates that modern LLMs exhibit a significant vulnerability to the layout of tabular data. Specifically, we show that semantically-invariant permutations of rows and columns - rearrangements that do not alter the table's underlying information - are sometimes sufficient to cause incorrect or inconsistent model outputs. To systematically probe this vulnerability, we introduce Adversarial Table Permutation, a novel, gradient-based attack that efficiently identifies worst-case permutations designed to maximally disrupt model performance. Our extensive experiments demonstrate that ATP significantly degrades the performance of a wide range of LLMs. This reveals a pervasive vulnerability across different model sizes and architectures, including the most recent and popular models. Our findings expose a fundamental weakness in how current LLMs process structured data, underscoring the urgent need to develop permutation-robust models for reliable, real-world applications.
Authors: Ayano Nakai-Kasai, Tadashi Wadayama
Abstract: Federated learning using mobile and Internet of Things devices requires not only the ability to handle heterogeneity of clients' data distributions but also high adaptability to varying communication environments. We propose FedHAW (Federated Learning with Hypergradient-based update of Aggregation Weights) that implements online updates of aggregation weights. FedHAW updates the aggregation weights by using hypergradient, the gradient of the objective function with respect to the weights, which can be calculated with low computational overhead. Simulation results show that the proposed method possesses high generalization performance in heterogeneous environments and high robustness to communication errors.
Authors: Yingbo Zhou, Yutong Ye, Shuhao Li, Rui Qian, Qiang Huang, Lemao Liu, Li Sun, Dejing Dou
Abstract: Real-world time series forecasting faces the fundamental challenge of non-stationary statistical properties, including shifts in mean and variance over time. While reversible instance normalization (RevIN) has shown promise by stationarizing inputs and denormalizing outputs, it relies on the strong assumption that historical and future distributions remain identical. We observe that in many practical applications, distribution shifts follow cyclical patterns that correlate with periodic positions (e.g., seasonal and holiday volatility). To this end, we propose PAMod, a lightweight yet powerful framework that models cyclical distribution shifts via Phase-Amplitude Modulation in the normalized feature space. PAMod learns periodic embeddings to modulate representations: phase modulation captures mean shifts, while amplitude modulation adapts to variance changes. Crucially, we prove mathematically that modulating in normalized space is equivalent to applying dynamic denormalization, offering an elegant unification of distribution adaptation and representation learning. Extensive experiments on twelve real-world benchmarks demonstrate that PAMod achieves state-of-the-art performance with fewer computational resources. Furthermore, our modulation mechanism, as a novel plug-and-play technique, can improve existing time-series forecasting methods with simple integration.
Authors: Xuan Son Nguyen, Nistor Grozavu
Abstract: Riemannian neural networks have proven effective in solving a variety of machine learning tasks. The key to their success lies in the development of principled Riemannian analogs of fundamental building blocks in deep neural networks (DNNs). Among those, Riemannian batch normalization (BN) layers have shown to enhance training stability and improve accuracy. In this paper, we propose BN layers for neural networks on complex domains. The proposed layers have close connections with existing Riemannian BN layers. We derive essential components for practical implementations of BN layers on some complex domains which are less studied in previous works, e.g., the Siegel disk domain. We conduct experiments on radar clutter classification, node classification, and action recognition demonstrating the efficacy of our method.
Authors: Shihong Ding, Fangyu Du, Cong Fang
Abstract: Multi-task learning (MTL) has emerged as a pivotal paradigm in machine learning by leveraging shared structures across multiple related tasks. Despite its empirical success, the development of likelihood-based efficiently solvable algorithms--even for shared linear representations--remains largely underdeveloped, primarily due to the non-convex structure intrinsic to matrix factorization. This paper introduces a first-order algorithm that jointly learns a shared representation and task-specific parameters, with guaranteed efficiency. Notably, it converges in $\widetilde{\mathcal{O}}(1)$ iterations and attains a \emph{near-optimal} estimation error of $\widetilde{\mathcal{O}}(dk/(TN))$, \emph{improving} over existing likelihood-based methods by a factor of $k$, where $d$, $k$, $T$, $N$ denote input dimension, representation dimension, task count, and samples per task, respectively. Our results justify that likelihood-based first-order methods can efficiently solve the MTL problem.
Authors: Sara Malacarne, Eirik Hoel-H{\o}iseth, Erlend Aune, David Zsolt Bir\'o, Massimiliano Ruocco
Abstract: Mobile network operators must monitor thousands of heterogeneous network elements across the radio access network and the packet core, each exposing high-dimensional KPI time series. The scale and cost of incident labelling make supervised approaches impractical, motivating unsupervised anomaly detection robust to context shifts and nonstationarity. We propose \textbf{C-MTAD-GAT} (\emph{Context-aware Multivariate Time-series Anomaly Detection with Graph Attention}), an anomaly detection framework designed to operate as a single shared model across large populations of network elements. The model combines temporal and feature-wise graph attention with lightweight static and dynamic context conditioning and a dual-head decoder for reconstruction and multi-step forecasting. It produces per-element, per-feature anomaly scores, converted to alerts via fully unsupervised thresholds calibrated from validation residuals. On the TELCO dataset released with DC-VAE \cite{garcia2023onemodel}, C-MTAD-GAT improves event-level affiliation and pointwise F1 while generating fewer alarms than prior graph-attention and VAE-based baselines. We then apply the same system to nation-scale radio access and evolved packet core control-plane counter data from a mobile network operator, where it is deployed. Operator feedback indicates the alerts are actionable and support daily monitoring, showing scalability across domains without relying on labelled incidents.
Authors: Akram Erraqabi, Alessandro Lazaric, Michal Valko, Emma Brunskill, Yun-En Liu
Abstract: In multi-armed bandits, the most-explored arms are the most informative, while reward maximization typically pulls only the best arm. We study the tradeoff between identifying arm means accurately and accumulating reward, and present an algorithm with regret guarantees that interpolates between the two objectives. We provide both upper and lower bounds and validate empirically.
Authors: Alexandra Carpentier, Michal Valko
Abstract: We study a graph bandit setting where the objective of the learner is to detect the most influential node of a graph by requesting as little information from the graph as possible. One of the relevant applications for this setting is marketing in social networks, where the marketer aims at finding and taking advantage of the most influential customers. The existing approaches for bandit problems on graphs require either partial or complete knowledge of the graph. In this paper, we do not assume any knowledge of the graph, but we consider a setting where it can be gradually discovered in a sequential and active way. At each round, the learner chooses a node of the graph and the only information it receives is a stochastic set of the nodes that the chosen node is currently influencing. To address this setting, we propose BARE, a bandit strategy for which we prove a regret guarantee that scales with the detectable dimension, a problem dependent quantity that is often much smaller than the number of nodes.
Authors: Michal Valko, Milos Hauskrecht
Abstract: Anomaly detection methods can be very useful in identifying unusual or interesting patterns in data. A recently proposed conditional anomaly detection framework extends anomaly detection to the problem of identifying anomalous patterns on a subset of attributes in the data. The anomaly always depends (is conditioned) on the value of remaining attributes. The work presented in this paper focuses on instance-based methods for detecting conditional anomalies. The methods depend heavily on the distance metric that lets us identify examples in the dataset that are most critical for detecting the anomaly. To optimize the performance of such methods we study and devise a metric learning method that learns the distance metric to reflect best the conditional anomaly pattern.
Authors: Hantao Yang, Hong Xie, Xutong Liu, Defu Lian
Abstract: In federated contextual linear bandits, high data dimensionality incurs prohibitive computation and communication costs: local agents perform $O(d^3)$-time determinant computation and upload $O(d^2)$ parameters, making existing algorithms unscalable, where $d$ is the dimension of data. To relieve these scaling bottlenecks, this paper proposes Federated Sketch Contextual Linear Bandits (FSCLB). On the computation side, FSCLB uses SVD to indirectly obtain the determinant required for communication, eliminating the prohibitive cost of direct determinant calculation and cutting complexity from $O(d^3)$ to $O(l^2d)$ per round, where $l< d$ is the sketch size. On the communication side, FSCLB introduces a double-sketch strategy that reduces both upload and download costs from $O(d^2)$ to $O(ld)$. Naively involving sketch update into federated contextual linear bandits can destroy the local increment and invalidate the asynchronous communication condition; FSCLB solves this by replacing the covariance matrix with the sketch matrix when deciding whether to communicate. Theoretically, FSCLB achieves a regret bound of $\widetilde{O} ((\sqrt{d}+\sqrt{M\varepsilon_l})\sqrt{lT})$, where $\varepsilon_l$ is the upper bounded by the spectral tail of the covariance matrix; when $l$ exceeds the rank of the covariance matrix, the bound simplifies to $\widetilde{O}(\sqrt{ldT})$, matching the optimal no-sketch regret. Experiments on both synthetic and real-world datasets show that FSCLB significantly reduces computational and communication costs by over 90 \% while sacrificing only a negligible amount of cumulative reward.
Authors: Yan Lin, Yihong Su, Yi Yang
Abstract: In financial predictions, the performance of machine learning models is often assessed by Rank IC, which is the Spearman rank correlation between the model predictions and the realized asset returns. Despite its wide adoption, most existing models are trained using regression losses or ranking objectives that may not align with Rank IC. We propose LambdaRankIC, a novel learning-to-rank approach that directly optimizes Rank IC. We circumvent the non-differentiability of the ranking operator by deriving the closed-form expression for the lambda gradients induced by the pairwise rank swaps, which enables efficient gradient-based optimization within the LambdaRank framework. We implement LambdaRankIC as a custom objective in XGBoost. Theoretically, we show that our approach optimizes an upper bound on Rank IC. We evaluate the proposed approach on both simulated and real-world financial data. In simulation studies, LambdaRankIC accurately recovers the true ranking structure in noiseless settings and consistently outperforms regression-based and NDCG-oriented ranking methods under low signal-to-noise ratios and heavy-tailed noise regimes. In empirical experiments using real market data, LambdaRankIC achieves the best out-of-sample performance on evaluation metrics commonly used in finance, including Rank IC, ICIR, monthly return, and Sharpe ratio. These results show that directly optimizing Rank IC can yield substantial improvements over conventional learning objectives in financial predictions when the full-order ranking quality is the primary goal.
Authors: Andrs Formanek, Anna Vincze, Richrd Bicsak, Yves Moreau, Gyorgy T. Balogh, Adam Arany
Abstract: We present a unique, multitask dataset comprising 143 drug and drug candidate molecules, each evaluated on in vitro, parallel artificial-membrane permeability assays (PAMPA) using six different model membranes. Using this resource, we systematically assess the effectiveness of various molecular descriptors and regression models in predicting passive membrane permeability. The studied models range from simple linear regression to a modern pre-trained transformer architecture. Particular attention is given to the trade-off between predictive performance and model interpretability, highlighting the challenges introduced by machine learning approaches. To our knowledge, this is the most comprehensive study on simultaneous modeling of multiple organ-specific PAMPA membranes to date, offering novel insights into membrane-specific permeability profiles. We found that expert-designed physico-chemical property descriptors are more fitting for a limited sample size permeabilty study than deep learning based representations.
Authors: Mengke Zhao, Guang-Xing Li, Duo Xu, Keping Qiu
Abstract: Complex physical systems, from supersonic turbulence to the macroscopic structure of the universe, are governed by continuous multiscale dynamics. While modern machine learning architectures excel at mapping the high-dimensional observables of these systems, it remains unclear whether they internalize the governing physical laws or merely interpolate discrete statistical correlations. Standard Explainable AI (XAI) architectures, particularly perturbation-based and gradient-saliency methods, rely on pixel-wise perturbations, which generate unphysical artifacts and push inputs off the valid empirical distribution. To resolve this, we introduce a diagnostic framework driven by Constrained Diffusion Decomposition (CDD), a diffusion-based multiscale data decomposition algorithm that enables physically constrained data generation and model evaluation via scale-aware modifications. Applying this framework to a Denoising Diffusion Probabilistic Model (DDPM), we execute deterministic interventions directly within the continuous, CDD-based scale space. We demonstrate that under moderate physical perturbations, the unconstrained generative model exhibits localized structural freezing and non-linear instability rather than continuous PDE-like responses. The network fails to maintain cross-scale continuity, causing the generative trajectory to diverge when pushed into unseen physical states. By synthesizing a continuum of physically coherent states, this scale-informed methodology establishes a controlled test ground to evaluate algorithmic vulnerabilities, providing the rigorous physical constraints necessary for future architectures to respect the multiscale causality of the natural universe.
Authors: Ziwen Zhao, Menglin Yang
Abstract: Retrieval-augmented generation (RAG) enhances large language models with external knowledge, and tree-based RAG organizes documents into hierarchical indexes to support queries at multiple granularities. However, existing Tree-RAG methods designed for single-document retrieval face critical challenges in scaling to cross-document multi-hop questions: (1) poor distribution adaptability, where $k$-means clustering introduces noise due to rigid distribution assumptions; (2) structural isolation, as tree indexes lack explicit cross-document connections; and (3) coarse abstraction, which obscures fine-grained details. To address these limitations, we propose $\Psi$-RAG, a tree-RAG framework with two key components. First, a hierarchical abstract tree index built through an iterative "merging and collapse" process that adapts to data distributions without a priori assumption. Second, a multi-granular retrieval agent that intelligently interacts with the knowledge base with reorganized queries and an agent-powered hybrid retriever. $\Psi$-RAG supports diverse tasks from token-level question answering to document-level summarization. On cross-document multi-hop QA benchmarks, it outperforms RAPTOR by 25.9% and HippoRAG 2 by 7.4% in average F1 score. Code is available at https://github.com/Newiz430/Psi-RAG.
Authors: Junda Ying, Yuxuan Wang, Bowen Yang, Peijie Zhou, Lei Zhang
Abstract: Inferring cellular trajectories from destructive snapshots is complicated by the challenges of stochasticity and non-conservative mass dynamics such as cell proliferation and apoptosis. Existing unbalanced Optimal Transport (OT) methods treat mass as a continuous fluid, performing inference at the population level. However, this macroscopic view often fails to capture the discrete, jump-like nature of birth-death events at single-cell resolution, which is essential for understanding lineage branching and fate decisions. We present Unbalanced Schr\"odinger Bridge (USB), a simulation-free framework for learning underlying dynamics that effectively integrates both stochastic and unbalanced effects which also models the discrete, jump-like birth-death dynamics at single-cell resolution. Theoretically, USB provides a tractable solution to the Branching Schr\"odinger Bridge (BSB) problem, offering a rigorous microscopic interpretation where individual cells undergo both Brownian motion and discrete birth-death jumps. Technically, the method implements an efficient solver by introducing a simulation-free training objective that effectively scales to high-dimensional omics data. Empirically, we demonstrate on both simulated and real-world datasets that USB not only achieves trajectory reconstruction performance better than or comparable to deterministic baselines but also uniquely enables realistic discrete simulation of birth-death dynamics at single-cell resolution.
Authors: Minchan Kwon, Sunghyun Baek, Minseo Kim, Jaemyung Yu, Dongyoon Han, Junmo Kim
Abstract: Large Language Model (LLM) Red-Teaming, which proactively identifies vulnerabilities of LLMs, is an essential process for ensuring safety. Finding effective and diverse attacks in red-teaming is important, but achieving both is challenging. Generative Flow Networks (GFNs) that perform distribution matching are a promising methods, but they are notorious for training instability and mode collapse. In particular, unstable rewards in red-teaming accelerate mode collapse. We propose Stable-GFN (S-GFN), which eliminates partition function $Z$ estimation in GFN and reduces training instability. S-GFN avoids Z-estimation through pairwise comparisons and employs a robust masking methodology against noisy rewards. Additionally, we propose a fluency stabilizer to prevent the model from getting stuck in local optima that produce gibberish. S-GFN provides more stable training while maintaining the optimal policy of GFN. We demonstrate the overwhelming attack performance and diversity of S-GFN across various settings.
Authors: Martin C. Cooper, Imane Bousdira
Abstract: In Machine Learning, an accepted definition of fairness of a decision taken by a classifier is that it should not depend on protected features, such as gender. Unfortunately, when constraints exist between features, such dependencies can be obscured by the constraints. To avoid this problem, we propose that a decision be considered fair if it has a fair explanation. We define a fair explanation as a prime-implicant reason for the decision that does not contain any protected feature (where the constraints are taken into account in the definition of prime-implicant). Surprisingly, ignoring constraints can completely change the fairness of a decision (according to this definition) even in the absence of constraints between protected and unprotected features. Three possible definitions of fairness of a classifier are that for all its decisions (1) there are only fair explanations, (2) there is at least one fair explanation, or (3) changing protected features does not change the outcome. We identify the relationships between these different definitions of fairness and study the computational complexity of testing fairness of classifiers.
Authors: Yao Ni, Jeremie Houssineau, Yew Soon Ong, Piotr Koniusz
Abstract: Deep neural networks achieve impressive results across diverse applications, yet their overconfidence on unseen inputs necessitates reliable epistemic uncertainty modelling. Existing methods for uncertainty modelling face a fundamental dilemma: Bayesian approaches provide principled estimates but remain computationally prohibitive, while efficient second-order predictors lack rigorous derivations connecting their specific objectives to epistemic uncertainty quantification. To resolve this dilemma, we introduce Dirichlet-approximated possibilistic posterior predictions (DAPPr), a principled framework leveraging possibility theory. We define a possibilistic posterior over parameters, projects this posterior to the prediction space via supremum operators, and approximates the projected posterior using learnable Dirichlet possibility functions. This projection-and-approximation strategy yields a simple training objective with closed-form solutions. Extensive experiments across diverse benchmarks demonstrate that our approach achieves competitive or superior uncertainty quantification performance compared to state-of-the-art evidential deep learning methods while maintaining both principled derivation and computational efficiency. Code will be available at https://github.com/MaxwellYaoNi/DAPPr.
Authors: Man Yung Wong (Russell)
Abstract: Sparse MoE routing fails at domain transitions, where the current token belongs to one distribution and the next to another. In a controlled experiment (4 experts, 5 seeds), standard affinity routing assigns only 0.006 +/- 0.001 probability to the correct expert at the transition. Three lightweight gate modifications raise this to 0.748 +/- 0.002 (124x), cutting experts needed for 99% coverage from infeasible to a small constant: temporal memory (beta), a per-expert LIF membrane potential accumulating routing context across tokens; precision-weighted gating (Pi), a per-expert inverse variance of recent prediction error, yielding 31x contrast between reliable and unreliable experts; and anticipatory routing, a next-state predictor conditioned on the beta-accumulated hidden state. The mechanisms draw from Friston's Free Energy Principle and use LIF dynamics from spiking neural networks. An ablation across all 2^3 subsets reveals a super-additive beta x Ant interaction: anticipation alone gives nothing (+0.000 +/- 0.001); beta alone gives modest gain (+0.295 +/- 0.013); combined they close 75% of the oracle gap (+0.741 +/- 0.002, exceeding the sum by +0.446 +/- 0.014). This is structural: a stateless predictor cannot detect approaching transitions because pre-transition tokens are distributionally identical to within-domain tokens. In a character-level MoE LM (5 seeds), beta-routing reduces transition-step BPC from 6.56 +/- 0.01 (Standard) to 4.01 +/- 0.15 (beta-MoE); the beta + Ant gate places 0.86 +/- 0.02 probability on the correct domain expert before that domain appears in input, vs 0.42 +/- 0.12 for Standard MoE. Reference implementations (~200 lines each): https://github.com/russellwmy/affinity-is-not-enough
Authors: Chaohao Yuan, Chenghao Xiao, Yu Rong, Hong Cheng, Long-Kai Huang
Abstract: SFT and RLVR represent two fundamental yet distinct paradigms for LLM post-training, each excelling in distinct dimensions. SFT expands knowledge breadth while RLVR enhances reasoning depth. Yet integrating these complementary strengths remains a formidable challenge. Sequential training can cause catastrophic forgetting, and joint optimization often suffers from severe gradient conflicts. We analyze SFT and RLVR through the lens of task vectors and reveal three structural properties behind these failures: a 30* magnitude disparity, 45* sign interference, and heterogeneous module-wise update distributions. These findings show SFT and RLVR are difficult to integrate directly, but they also suggest that the two paradigms modify partly complementary components of the model. Motivated by these observations, we propose Decoupled Test-time Synthesis (DoTS), a post-hoc framework allows SFT and RLVR checkpoints to be trained independently and synthesizes their capabilities only at inference time via task vector arithmetic, without updating model parameters. To reduce interference, DOTS applies selective sparsification with norm-preserving rescaling. It then uses Bayesian optimization on a small set of unlabeled queries to search for combination coefficients on the Pareto frontier of consistency and perplexity. Empirically, \ours matches or exceeds the performance of training-based SFT--RLVR integration methods across multiple mathematical reasoning benchmarks, incurring only $\sim$3\% of the computational cost. When applied to stronger post-trained checkpoints, DOTS surpasses SOTA models and generalizes to out-of-domain benchmarks without re-tuning. Code is available at https://github.com/chaohaoyuan/DoTS.
Authors: Kaviru Gunaratne, Stephen Kobourov, Jacob Miller
Abstract: Dimensionality reduction (DR) techniques are often characterized by whether they preserve global, high-level structures in the data or local, neighborhood structures. This distinction matters in visualization: global methods can obscure clusters while local methods can over-emphasize them. Yet, even when clusters appear distinct, their relative arrangement in the projection may be arbitrary or misleading, a common issue in techniques such as t-SNE and UMAP. Existing cluster quality metrics either only measure cluster separability or assume spherical, globular clusters in the original space. We introduce the Class Angular Distortion Index (CADI), a metric that uses internal angles among point triples to determine the faithfulness of cluster organization in a projection. We show cases on both real and synthetic data where existing cluster metrics fail, but CADI provides an interpretable result. Since it relies on computing angles, CADI is also differentiable, enabling optimization. We demonstrate this with a CADI-based DR technique.
Authors: Zichun Ye, Runqi Wang, Xuchuang Wang, Xutong Liu, Shuai Li, Mohammad Hajiesmaili
Abstract: Machine unlearning aims to unlearn data points from a learned model, offering a principled way to process data-deletion requests and mitigate privacy risks without full retraining. Prior work has mainly studied unsupervised / supervised machine unlearning, leaving unlearning for sequential decision-making systems far less understood. We initiate the first study of a foundational sequential decision-making problem: offline stochastic multi-armed bandits (MAB). We formalize the privacy constraint for offline MAB and measure utility by the post-unlearning decision quality. We conduct a systematic study of both single- and multi-source unlearning scenarios under two data-generation models, the fixed-sample model and the distribution model. For these settings, our algorithmic design is built on two canonical base algorithms: Gaussian mechanism and rollback, and we propose adaptive algorithms that switch between them according to the data regime and privacy constraint. We further introduce a mixing procedure that elucidates the rationale behind these baselines. We provide performance guarantees across the above settings and establish lower bounds under both dataset models. Experiments validate the predicted tradeoffs and demonstrate the effectiveness of the proposed methods.
Authors: Shams Mehdi, Ilkwon Cho, Olexandr Isayev
Abstract: Prevailing machine-learned interatomic potential (MLIP) uncertainty-quantification methods rely on ensembles of independently trained backbones. These methods scale unfavorably with foundation-scale MLIPs, and their member-disagreement signals correlate weakly with per-molecule prediction error. Here we probe the frozen per-atom representations of a pretrained MLIP with a compact discriminative classifier, recasting MLIP uncertainty quantification as selective classification rather than error regression. The resulting method, PROBE (Post-hoc Reliability frOm Backbone Embeddings), produces a per-prediction reliability probability that monotonically tracks actual error without modification to the underlying model. Across large held-out evaluation sets and two structurally distinct MLIP architectures, PROBE outperforms ensemble disagreement as a binary reliability signal, which strengthens with the expressiveness of the backbone representation, implying a favorable scaling trajectory toward foundation-scale MLIPs. Multi-head self-attention additionally yields per-atom importance maps, providing chemically interpretable diagnostics at no additional computational cost. PROBE is post-hoc and architecture-agnostic, and is directly deployable on any MLIP that exposes per-atom representations.
Authors: Daniel Hangan, Stephen Kobourov, Jacob Miller
Abstract: Both Dimensionality Reduction (DR) and Graph Drawing (GD) aim to visualize abstract, non-linear structures, yet rely on different optimization paradigms. This contrast is evident in Multidimensional Scaling (MDS), which typically depends on the SMACOF algorithm despite graph drawing results showing that simpler stochastic optimization schemes can be more effective for the same objective. We bridge these domains by adapting Stochastic Gradient Descent (SGD) techniques from graph drawing to vector data embedding. We present a scikit-learn compatible estimator that minimizes global stress through local pairwise updates, improving upon the existing implementation. Experiments on standard high-dimensional benchmarks show that our stochastic solver converges substantially faster than SMACOF while achieving comparable or lower stress.
Authors: Jiali Cui, Zhiqiang Lao, Heather Yu
Abstract: Energy-based models (EBMs) are a flexible class of deep generative models and are well-suited to capture complex dependencies in multimodal data. However, learning multimodal EBM by maximum likelihood requires Markov Chain Monte Carlo (MCMC) sampling in the joint data space, where noise-initialized Langevin dynamics often mixes poorly and fails to discover coherent inter-modal relationships. Multimodal VAEs have made progress in capturing such inter-modal dependencies by introducing a shared latent generator and a joint inference model. However, both the shared latent generator and joint inference model are parameterized as unimodal Gaussian (or Laplace), which severely limits their ability to approximate the complex structure induced by multimodal data. In this work, we study the learning problem of the multimodal EBM, shared latent generator, and joint inference model. We present a learning framework that effectively interweaves their MLE updates with corresponding MCMC refinements in both the data and latent spaces. Specifically, the generator is learned to produce coherent multimodal samples that serve as strong initial states for EBM sampling, while the inference model is learned to provide informative latent initializations for generator posterior sampling. Together, these two models serve as complementary models that enable effective EBM sampling and learning, yielding realistic and coherent multimodal EBM samples. Extensive experiments demonstrate superior performance for multimodal synthesis quality and coherence compared to various baselines. We conduct various analyses and ablation studies to validate the effectiveness and scalability of the proposed multimodal framework.
Authors: Alireza Namazi, Heman Shakeri
Abstract: Clinical time-series forecasting is increasingly studied for decision support, yet standard aggregate metrics can obscure whether a model is actually useful for the task it is meant to serve. In safety-critical settings, low average error can coexist with dangerous failures in exactly the high-risk regimes that matter most. We present a task-aware evaluation framework for blood glucose forecasting built around two downstream uses: hypoglycemia early warning and insulin dosing decision support. For early warning, we evaluate on real data from three clinical cohorts using event-level recall and false alarms per patient-day, metrics that reflect operational alarm burden rather than aggregate accuracy. We show that models appearing acceptable overall, with recall above 0.9 on the full test set, can fail badly in the post-bolus slice, where insulin-on-board is elevated and missed warnings carry the greatest clinical consequences. Standard forecasting evaluation, however, does not test whether a model can reason about the effects of actions, a requirement for supporting insulin dosing decisions. We therefore add a second, interventional arm using the FDA-accepted UVA/Padova simulator, where we evaluate whether forecasters can predict glucose responses to altered insulin plans in paired factual/counterfactual scenarios. We show that models that look strong on real-data forecasting often fail to predict the direction, magnitude, or ranking of intervention effects, and choose poor insulin doses when evaluated under a clinically motivated cost. Taken together, the two arms reveal a consistent gap between forecasting accuracy and task-relevant usefulness. We release the benchmark, the standardized preprocessing pipeline for public cohorts, and the simulator-based interventional dataset as a reproducible toolkit.
Authors: Xinran Liu, Yuwen Li, Hongxiang Gao, Heyang Xu, Jianqing Li, Zongmin Wang, Chengyu Liu
Abstract: Automated pediatric electrocardiogram (ECG) diagnosis remains challenging because models trained predominantly on adult data suffer from substantial cross-population mismatch, while pediatric labels are often scarce. We present PEACE (Pediatric-Adult ECG Alignment via Cross-modal Enhancement), a structured cross-modal alignment framework for adult-to-pediatric ECG transfer. PEACE integrates tri-axial clinical semantic decomposition, label-query feature extraction, and curriculum-gated optimization to align transferable adult ECG representations with pediatric diagnostic targets. Since ZZU-pECG provides no paired clinical reports, we generate label-conditioned semantic descriptors using Gemini with concise clinical prompts and use them only as auxiliary training supervision; inference remains ECG-only. On ZZU-pECG, PEACE achieves 59.39%, 79.03%, and 90.89% AUC under zero-shot, 50-shot, and full fine-tuning settings, respectively, and reaches 96.65% AUC on the shared PTB-XL label space. These results suggest that structured clinical semantic supervision can improve low-resource adult-to-pediatric ECG transfer, while prospective clinical validation and more explicit age-aware modeling remain necessary before real-world deployment.
Authors: Michael Helcig, Dan Alistarh
Abstract: Assigning one of K options to each of N groups under a total cost budget is a recurring problem in machine learning, appearing in mixed-precision quantization, non-uniform pruning, and expert selection. The objective (model loss) depends jointly on all assignments and does not decompose across groups, which prevents combinatorial solvers from optimizing the true objective directly and limits them to proxy objectives. Evolutionary search evaluates the actual loss but lacks gradient information, while penalty-based methods provide gradients but enforce the budget only approximately and require sensitive hyperparameter tuning. We observe that under softmax relaxation, the budget constraint defines a smooth Riemannian manifold in logit space with particularly simple geometry: the normal vector is available in closed form, shifting logits along the cost vector changes expected cost monotonically, allowing binary-search retraction, and vector transport reduces to a single inner product. Building on this structure, we propose Riemannian Constrained Optimization (RCO), which augments a standard Adam update with tangent projection, binary-search retraction, and momentum transport. Combined with Gumbel straight-through estimation and budget-constrained dynamic programming for discrete feasibility, RCO enables first-order optimization of the true objective under exact budget enforcement, without introducing constraint hyperparameters. On synthetic knapsack problems with known optima, the manifold-based constraint handling recovers optimal solutions, whereas penalty methods plateau at 83% of optimal. On LLM compression tasks, including mixed-precision quantization and MoE expert pruning, RCO matches or exceeds evolutionary search methods while requiring 3x to 16x lower wall-clock cost on the evaluated configurations.
Authors: Zhijie Cai, Haolong Chen, Guangxu Zhu
Abstract: Fine-tuning LLMs is necessary for various dedicated downstream tasks, but classic backpropagation-based fine-tuning methods require substantial GPU memory. To this end, a recent work, MeZO, which relies solely on forward passes to fine-tune LLMs, significantly reduces GPU requirements at the cost of slower convergence due to its indifference to loss landscapes. Standard solutions, such as Adam, explore loss landscapes by estimating the first- and second-order moments and storing them in memory to guide the model's movement through dimensions with lower curvature and vice versa. However, directly applying Adam negates MeZO's advantage as it will triple the memory requirement. In light of this, we propose AdaMeZO, a zeroth-order optimizer that leverages Adam-style first- and second-moment estimates without maintaining them in memory. We present a theoretical analysis of AdaMeZO, corroborated by extensive experiments demonstrating AdaMeZO's performance, showing that AdaMeZO can outperform MeZO while requiring up to $70\%$ fewer forward passes. Trajectory visualizations affirm AdaMeZO's ability to adapt to diverse loss landscapes.
Authors: Andrzej Ruszczynski, Tiangang Zhang
Abstract: For a risk-averse finite-horizon Markov Decision Problem, we introduce a special class of Markov coherent risk measures, called mini-batch measures. We also define the class of multipattern risk-averse problems that generalizes the class of linear systems. We use both concepts in a feature-based $Q$-learning method with multipattern $Q$-factor approximation and we prove a high-probability regret bound of $\mathcal{O}\big(H^2 N^H \sqrt{ K}\big)$, where $H$ is the horizon, $N$ is the mini-batch size, and $K$ is the number of episodes. We also propose an economical version of the $Q$-learning method that streamlines the policy evaluation (backward) step. The theoretical results are illustrated on a stochastic assignment problem and a short-horizon multi-armed bandit problem.
Authors: Jiaming Zhang, Yujie Yang, Yao Lyu, Shengbo Eben Li, Liping Zhang
Abstract: Safety is a primary challenge in real-world reinforcement learning (RL). Formulating safety requirements as state-wise constraints has become a prominent paradigm. Handling state-wise constraints with the Lagrangian method requires a distinct multiplier for every state, necessitating neural networks to approximate them as a multiplier network. However, applying standard dual gradient ascent to multiplier networks induces severe training oscillations. This is because the inherent instability of dual ascent is exacerbated by network generalization -- local overshoots and delayed updates propagate to adjacent states, further amplifying policy fluctuations. Existing stabilization techniques are designed for scalar multipliers, which are inadequate for state-dependent multiplier networks. To address this challenge, we propose an augmented Lagrangian multiplier network (ALaM) framework for stable learning of state-wise multipliers. ALaM consists of two key components. First, a quadratic penalty is introduced into the augmented Lagrangian to compensate for delayed multiplier updates and establish the local convexity near the optimum, thereby mitigating policy oscillations. Second, the multiplier network is trained via supervised regression toward a dual target, which stabilizes training and promotes convergence. Theoretically, we show that ALaM guarantees multiplier convergence and thus recovers the optimal policy of the constrained problem. Building on this framework, we integrate soft actor-critic (SAC) with ALaM to develop the SAC-ALaM algorithm. Experiments demonstrate that SAC-ALaM outperforms state-of-the-art safe RL baselines in both safety and return, while also stabilizing training dynamics and learning well-calibrated multipliers for risk identification.
Authors: Lixing Li
Abstract: While Large Language Models have achieved notable success on formal mathematics benchmarks such as MiniF2F, it remains unclear whether these results stem from genuine logical reasoning or semantic pattern matching against pre-training data. This paper identifies Architectural Reasoning: the ability to synthesize formal proofs using exclusively local axioms and definitions within an alien math domain, as the necessary ability for future automated theorem discovery AI. We use the Obfuscated Natural Number Game, a benchmark to evaluate Architectural Reasoning. By renaming identifiers in the Natural Number Game in Lean 4, we created a zero-knowledge, closed environment. We evaluate state-of-the-art models, finding a universal latency tax where obfuscation increases inference time. The results also reveal a divergence in robustness: while general models (Claude-Sonnet-4.5, GPT-4o) suffer performance degradation, reasoning models (DeepSeek-R1, GPT-5, DeepSeek-Prover-V2) maintain the same accuracy despite the absence of semantic cues. These findings provide a quantitative metric for assessing the true capacity for mathematical reasoning.
Authors: Bruce Rushing, Angela Danquah, Alireza Namazi, Arjun Dirghangi, Heman Shakeri
Abstract: Effectively stratifying patient risk in chronic diseases like glaucoma is a major clinical challenge. Clinicians need tools to identify patients at high risk of progression from sparse and irregularly-sampled electronic health records (EHRs). We propose a novel deep kernel learning (DKL) architecture that leverages a Gaussian Process (GP) backend. The GP's kernel is defined by a transformer-based feature extractor applied to clinical-BERT embeddings to model glaucoma patient trajectories from multimodal EHR data. Our method successfully identifies three clinically distinct patient subgroups. Crucially, the model learns to decouple disease progression from current severity, identifying a high-risk group with a worsening trajectory despite having better average visual acuity than a second, stably poor group. This reveals that the model learns to identify progression risk rather than just the current disease state. This ability to stratify patients based on their risk trajectory progression offers a powerful tool for clinical decision support, enabling targeted interventions for high-risk individuals and improving the management of glaucoma care.
Authors: Nikolaos Nakis, Chrysoula Kosma, Panagiotis Promponas, Michail Chatzianastasis, Giannis Nikolentzos
Abstract: Representation learning is central to graph machine learning, powering tasks such as link prediction and node classification. However, most graph embeddings are hard to interpret, offering limited insight into how learned features relate to graph structure. Many networks naturally admit a role-mixture view, where nodes are best described as mixtures over latent archetypal factors. Motivated by this structure, we propose a compositional graph embedding framework grounded in Aitchison geometry, the canonical geometry for comparing mixtures. Nodes are represented as simplex-valued compositions and embedded via isometric log-ratio (ILR) coordinates, which preserve Aitchison distances while enabling unconstrained optimization in Euclidean space. This yields intrinsically interpretable embeddings whose geometry reflects relative trade-offs among archetypes and supports coherent behavior under component restriction; we consider both fixed and learnable ILR bases. Across node classification and link prediction, our method achieves competitive performance with strong baselines while providing explainability by construction rather than post-hoc. Finally, subcompositional coherence enables principled component restriction: removing and renormalizing subsets preserves a well-defined geometry, which we exploit via subcompositional dimensionality removal to probe how archetype groups influence representations and predictions.
Authors: Jiawen Chen, Qi Shao, Duxin Chen, Wenwu Yu
Abstract: Combinatorial complexes have unified set-based (e.g., graphs, hypergraphs) and part-whole (e.g., simplicial, cellular complexes) structures into a common topological framework. Existing topological neural networks and Weisfeiler-Lehman variants remain fragmented, lacking a unified theoretical foundation for topological deep learning. In this work, we introduce the Combinatorial Complex Weisfeiler-Lehman (CCWL) test, an axiomatic-style extension of the WL test to combinatorial complexes. CCWL formalizes topological message passing through four types of neighborhood relation and provides a unified perspective on the expressive power of higher-order variants. We further prove that upper and lower neighborhoods are sufficient among the four adjacent WL tests to reach the expressivity of the full CCWL framework across topological structures of combinatorial complexes. Building on this framework, we also propose the Combinatorial Complex Isomorphism Network (CCIN) and evaluate it on synthetic and real-world benchmarks. Experimental results indicate CCIN outperforms baseline methods and offers a generalized expressive framework for topological deep learning.
Authors: Ramin Mohammadi, Vahab vahdat, Sarthak Jain, Amir T. Namin, Ramya Palacholla, Sagar Kamarthi
Abstract: With the proliferation of Electronic Health Records (EHRs), a critical challenge in building predictive models is determining the optimal historical data time window to maximize accuracy. This study investigates the impact of various observation windows ranging from the day of surgery to three years prior on predicting 30-day readmission following hip and knee arthroplasties. The dataset encompasses both structured encounter records (over 4 million) and unstructured clinical notes (80,000) from 7,174 patients. To extract meaning from the clinical notes, we employed a suite of non neural (BOW, count BOW, TF IDF, LDA) and neural encoders (BERT, 1D CNN, BiLSTM, Average). We subsequently evaluated models utilizing clinical notes alone, structured data alone, and a combination of both modalities. Our results demonstrate that the optimal time window for unstructured clinical notes is significantly shorter than for structured data, maximum predictive performance was achieved using notes from just three to six months prior to surgery. In contrast, performance using structured data improved as the time window lengthened, but strictly plateaued after twelve months. These modality-specific temporal patterns remained consistent regardless of model complexity or encoder type. Ultimately, these findings challenge the general assumption that more historical data inherently yields better machine learning predictions, establishing targeted time-window guidelines for optimizing readmission prediction models.
Authors: Sizhe Tang, Zuyuan Zhang, Mahdi Imani, Tian Lan
Abstract: Monte Carlo Tree Search (MCTS) scales poorly in cooperative multi-agent domains because expansion must consider an exponentially large set of joint actions, severely limiting exploration under realistic search budgets. We propose NonZero, which keeps multi-agent MCTS tractable by running surrogate-guided selection over a low-dimensional nonlinear representation using an interaction-guided proposal rule, instead of directly exploring the full joint-action space. Our exploration uses an interaction score: single-agent deviations are ranked by predicted gain, while two-agent deviations are scored by a mixed-difference measure that reveals coordination benefits even when no single agent can improve alone. We formalize candidate proposal as a bandit problem over local deviations and derive a proposal rule, NonZero, with a sublinear local-regret guarantee for reaching approximate graph-local optima without enumerating the joint-action space. Empirically, NonZero improves sample efficiency and final performance on MatGame, SMAC, and SMACv2 relative to strong model-based and model-free baselines under matched search budgets.
Authors: Rodolphe Barlogis, Ferhat Tamssaouet, Quentin Falcoz, St\'ephane Grieu
Abstract: This paper deals with solving the 2D Helmholtz equation on non-parametric domains, leveraging a physics-informed neural operator network based on the DeepONet framework. We consider a 2D square domain with an inclusion of arbitrary boundary geometry at its center. This inclusion acts as a scatterer for an incoming harmonic wave. The aim is to learn the operator linking the geometry of the scatterer to the resulting scattered field. A signed distance function to the boundary of the inner inclusion, evaluated at several points in the domain, is used to encode its geometry. It serves as input for the branch part of the DeepONet architecture, while local information is used as input for the trunk part. This approach enables the encoding of arbitrary geometries, whether they are parameterized or not. The evaluation of the model on unseen geometries is compared with its finite element method (FEM) equivalent to test its generalization capabilities. The trained network weights implicitly embed the local physics and their interaction with the domain geometry. If the training space sufficiently covers the target evaluation space, the model can generalize accordingly. Furthermore, it can be refined to extend to another region of interest without retraining from scratch. This framework also avoids the need to remesh the domain for each geometry. The proposed approach delivers a computationally lighter surrogate model than FEM alternatives and avoids relying on FEM-generated training data.
Authors: Shradha Sharma, Swapnil Dhamal, Shweta Jain
Abstract: We propose a new framework for meritocratic fairness in budgeted combinatorial multi-armed bandits with full-bandit feedback (BCMAB-FBF). Unlike semi-bandit feedback, the contribution of individual arms is not received in full-bandit feedback, making the setting significantly more challenging. To compute arm contributions in BCMAB-FBF, we first extend the Shapley value, a classical solution concept from cooperative game theory, to the $K$-Shapley value, which captures the marginal contribution of an agent restricted to a set of size at most $K$. We show that $K$-Shapley value is a unique solution concept that satisfies Symmetry, Linearity, Null player, and efficiency properties. We next propose K-SVFair-FBF, a fairness-aware bandit algorithm that adaptively estimates $K$-Shapley value with unknown valuation function. Unlike standard bandit literature on full bandit feedback, K-SVFair-FBF not only learns the valuation function under full feedback setting but also mitigates the noise arising from Monte Carlo approximations. Theoretically, we prove that K-SVFair-FBF achieves $O(T^{3/4})$ regret bound on fairness regret. Through experiments on federated learning and social influence maximization datasets, we demonstrate that our approach achieves fairness and performs more effectively than existing baselines.
Authors: Jacques Raynal, Pierre Slangen, Jacques Margerit
Abstract: In biomechanical systems, observable performance is often used as a proxy for underlying system organization. However, this assumption implicitly presumes a correspondence between output metrics and internal system states that may not hold in adaptive systems. In this study, the vertical dimension of occlusion (VDO) is considered as a constraint applied to an adaptive neuromechanical system, enabling the exploration of system-level responses under controlled variations. A single-case design in a patient with Parkinson's disease allows an intra-individual analysis across repeated conditions.The analysis is structured across three complementary levels: (i) aggregated linear metrics describing observable performance, (ii) a dynamical systems framework describing temporal organization in state space, and (iii) a latent space representation obtained through unsupervised embedding. The results show that conditions with comparable observable performance may correspond to different organizations in both state space and latent space representations. This dissociation highlights a limitation of aggregated metrics and suggests that similar outputs may arise from non-equivalent system states. A fourth level is proposed as a purely conceptual extension describing potential relationships between system states. This level is not implemented and is not derived from experimental data. These observations are strictly exploratory and non-causal. The proposed framework does not establish mechanistic, predictive, or directional relationships, but provides a structured approach for analyzing constraint-driven systems across multiple levels of representation.
Authors: Stavros Orfanoudakis, Pedro P. Vergara
Abstract: While representation and similarity learning have improved the sample efficiency of Reinforcement Learning (RL), they are rarely used to shape policy updates directly in the action space. To bridge this gap, a geometry-aware RL algorithm that explicitly incorporates value-based similarity into the policy update, State-Action Value Geometry Optimization (SAVGO), is proposed. In detail, SAVGO learns a joint state-action embedding space in which pairs with similar action-value estimates exhibit high cosine similarity, while dissimilar pairs are mapped to distinct directions. This learned geometry enables the generation of a similarity kernel over candidate actions sampled at each update, allowing policy improvement to be guided directly toward higher-value regions beyond local gradient-based updates. As a result, representation learning, value estimation, and policy optimization are unified within a single geometry-consistent objective, while preserving the scalability of off-policy actor-critic training. The proposed method is evaluated on standard MuJoCo continuous-control benchmarks, demonstrating improvements over strong baselines on challenging high-dimensional tasks. Ablation studies are done to analyze the contributions of value-geometry learning and similarity-based policy updates.
Authors: Arunabh Srivastava (Amir), Mohammad A. (Amir), Khojastepour, Srimat Chakradhar, Sennur Ulukus
Abstract: Humans solve problems by executing targeted plans, yet large language models (LLMs) remain unreliable for structured workflow execution. We propose RunAgent, a multi-agent plan execution platform that interprets natural-language plans while enforcing stepwise execution through constraints and rubrics. RunAgent bridges the expressiveness of natural language with the determinism of programming via an agentic language with explicit control constructs (e.g., \texttt{IF}, \texttt{GOTO}, \texttt{FORALL}). Beyond verifying syntactic and semantic verification of the step output, which is performed based on the specific instruction of each step, RunAgent autonomously derives and validates constraints based on the description of the task and its instance at each step. RunAgent also dynamically selects among LLM-based reasoning, tool usage, and code generation and execution (e.g., in Python), and incorporates error correction mechanisms to ensure correctness. Finally, RunAgent filters the context history by retaining only relevant information during the execution of each step. Evaluations on Natural-plan and SciBench Datasets demonstrate that RunAgent outperforms baseline LLMs and state-of-the-art PlanGEN methods.
Authors: Pavlin G. Poli\v{c}ar, Andra\v{z} Pevcin, Bla\v{z} Zupan
Abstract: Generating diverse, readable statistical charts from tabular data remains challenging for LLMs, as many failures become apparent after rendering and are not detectable from data or code alone. Existing chart datasets also rarely provide fully aligned artifacts, such as executable code, dataset context, and question-answer pairs. We present a structured LLM-based workflow that decomposes chart generation into dataset screening, plot proposal, code synthesis, rendering, validation-driven refinement, description generation, and question-answer generation. By incorporating rendered-output validation, the workflow addresses visualization-specific failure modes such as readability and semantic mismatch. It treats chart generation as an inspectable process rather than a one-shot prompt-to-code task, retaining each chart with its code, dataset context, description, and question-answer pairs. Applied to UCI datasets, the workflow produces 1,500 charts from 74 datasets, spanning 24 chart families and paired with 30,003 question-answer pairs. We evaluate 16 multimodal LLMs (MLLMs) on these chart-question pairs. The results show that chart-syntax questions are nearly saturated, while value extraction, comparison, and reasoning remain more challenging, illustrating the workflow's utility for diagnostic studies of chart-grounded multimodal reasoning.
Authors: Siyang Li, Yize Chen, Zijie Zhu, Yuxin Pan, Yan Guo, Ming Huang, Hui Xiong
Abstract: Time Series Foundation Models (TSFMs) advance generalization and data efficiency in time series forecasting by unified large-scale pretraining. But TSFMs remain lacking when adapting to specific downstream forecasting tasks for two reasons. First, the non-stationary and uncertain nature of time series data lead to inevitable temporal distribution shifts between historical training and future testing data, while current Supervised FineTuning (SFT)-based methods are prone to overfitting and may degrade generalization. Second, training data availability varies across forecasting tasks, requiring TSFMs to generalize well under diverse data regimes. To address these challenges, we introduce the Time series Reinforcement Finetuning (TimeRFT) paradigm for TSFM downstream adaptation, which consists of two task-specific training recipes: i) A forecasting quality-based temporal reward mechanism that conducts a multi-faceted evaluation of the contribution of each prediction step to overall forecasting accuracy. ii) A forecasting difficulty-based data selection strategy to identify time series samples with generalizable predictive patterns and informative training signals. Extensive experiments demonstrate TimeRFT can consistently outperform SFT-based adaptation methods across various real-world forecasting tasks and training data regimes, enhancing prediction accuracy and generalization against unforeseen distribution shifts.
Authors: Yuanhao Chen, Peter Chin
Abstract: Speech neuroprosthesis systems decode intended speech from neural activity in the absence of audible output, offering a path to restoring communication for individuals with speech-impairing conditions. Current approaches decode predominantly from motor cortical areas, discarding others -- such as area 44, part of Broca's area -- that may encode complementary linguistic information. We introduce MoDAl (Modality Decorrelation and Alignment), a framework that discovers complementary neural modalities through the interplay of two objectives in a shared projection space. A contrastive loss aligns each of several parallel brain encoders with the text embeddings of a pretrained large language model (LLM), while a decorrelation loss prevents the encoders from coalescing to duplicative representations. We prove that these objectives are in productive tension: Contrastive alignment induces transitive modality coalescence, which decorrelation must counteract for the framework to discover diverse neurolinguistic modalities. On the Brain-to-Text Benchmark '24, MoDAl reduces word error rate (WER) from 26.3% to 21.6% compared to the previous best end-to-end method, with the gain from incorporating previously discarded area 44 signals arising entirely from the decorrelation mechanism. Analysis of the discovered modalities reveals functional specialization: Encoders receiving area 44 input capture structural and syntactic properties (sentence length, grammatical voice, wh-words), consistent with the neurolinguistic understanding of Broca's area.
Authors: Huifan Zhang, Yun Hu, Caizhi Sheng, Yurui Qu, Pingqiang Zhou
Abstract: This work presents ROSA, a microring-based optical neural network architecture that improves robustness and energy efficiency using an optical shift-and-add (OSA) module and a layer-wise hybrid mapping strategy. It introduces a noise-aware voltage-to-weight model considering DAC and thermal variations, and a workload-aware framework to co-optimize MRR array size and layer-wise dataflow. Optimized arrays reduce the aggregated relative energy-delay product (EDP) by 64% and 26% compared with DEAP-CNNs and a general compact array, respectively. OSA further contributes 29% EDP reduction. The proposed hybrid mapping strategy improves CIFAR-10 accuracy by 8.3% over weight-stationary mapping while achieving an average 54.7% lower EDP than DEAP-CNNs.
Authors: Franziska Kaltenberger, Wei-Ling Chen, Enkeleda Thaqi, Enkelejda Kasneci
Abstract: Remote and webcam-based eye tracking in multi-line reading suffers from various noise factors and layout ambiguity, precisely where real-time reading support needs reliable, per-fixation line assignment. Prior work largely addresses this challenge post hoc or by restricting behavior (e.g., disallowing re-reading), undermining interactive use. We propose CONF-LA (Confidence-score-based Online Fixation-to-Line Assignment), a principled, low-latency approach that integrates knowledge about reading behavior and Gaussian line likelihoods over fixations to compute a posterior-line-score and defers assignments when uncertainty is high. Evaluated on existing open-source data, CONF-LA demonstrates stable performance in post hoc analysis and closes the online-offline gap (1-2 %) with a mean per-fixation latency of 0.348 ms. Our approach exhibits particular invariance toward regressions, yielding significant improvement in ad hoc median accuracies on children data (approx. 95 %) over all tested algorithms. We encourage further research in this direction and discuss possibilities for future development.
Authors: Yanchen Guan, Haicheng Liao, Chengyue Wang, Xingcheng Liu, Jiaxun Zhang, Keqiang Li, Zhenning Li
Abstract: Anticipating traffic accidents is a critical yet unresolved problem for autonomous driving, hindered by the inherent complexity of modeling interactions between road users and the limited availability of diverse, large-scale datasets. To address these issues, we propose a dual-path framework. On the one hand, we employ a video synthesis pipeline that, guided by structured prompts, derives feature distributions from existing corpora and produces high-fidelity synthetic driving scenes consistent with the statistical patterns of real data. On the other hand, we design a graph neural network enriched with semantic cues, enabling dynamic reasoning over both spatial and semantic relations among participants. To validate the effectiveness of our approach, we release a new benchmark dataset containing standardized, finely annotated video sequences that cover a broad spectrum of regions, weather, and traffic conditions. Evaluations across existing datasets and our new benchmark confirm notable gains in both accuracy and anticipation lead time, highlighting the capacity of the proposed framework to mitigate current data bottlenecks and enhance the reliability of autonomous driving systems.
Authors: Jan Ole Ernst, Dmitri Michelangelo Saberi, Derek Christ, Thomas Zimmermann, Rajath Salegame, Suhaas M. Bhat, Stanislav Levental, Thomas Dybdahl Ahle, Matthias Jung
Abstract: The primary goal of Design Verification (DV) is to ensure that a proposed chip design implementation (either in code, or physical form) exactly matches its specification and is free of functional errors in order to avoid costly re-designs. Achieving this often demands extensive manual interpretation, translating the specification document into a formal, testable representation. While AI has made progress in DV, current approaches typically focus on narrow, isolated tasks rather than full end-to-end specification compliance of modern chip designs, failing to capture the complexity of real-world verification. Our method automatically formalizes natural language memory chip specifications, for industry relevant Dynamic Random Access Memory (DRAM) standards, into a formal representation called DRAMPyML that can be used for downstream DV tasks like the generation of SystemVerilog assertions, stimulus, and functional coverage. We also release our benchmarking dataset, DRAMBench, which can be used to evaluate the evolution of model capabilities (and new approaches) at hardware autoformalization.
Authors: Bojun Zhang, Huiyu Yang, Yunpeng Wang, Yuntian Chen, Yuanwei Bin, Rikui Zhang, Jianchun Wang
Abstract: Rapid aerodynamic evaluation is crucial for modern vehicle design, yet existing neural operators struggle to capture intricate spatial correlations. We propose the rotary-enhanced transformer operator (RETO), a novel neural solver featuring a dual-stage spatial awareness mechanism: sinusoidal-cosine encodings for global referencing and rotary positional encodings (RoPE) for relative displacements. RoPE encodes spatial relations via unitary rotations, enforcing translation invariance and enhancing local gradient resolution. RETO is validated on ShapeNet and the high-fidelity DrivAerML benchmark. On ShapeNet, RETO achieves a relative $L_2$ error of 0.063, outperforming RegDGCNN at 0.125 and representing a 16\% improvement over the Transolver baseline, which yields an error of 0.075. These performance gains are further amplified on the DrivAerML dataset, where RETO achieves relative $L_2$ errors of 0.089 for surface pressure and 0.097 for velocity. In comparison, Transolver results in errors of 0.116 and 0.121 for the same metrics, indicating that RETO achieves precision enhancements of 23\% and 19\%, respectively. For comprehensive comparison, the surface pressure and velocity errors for AB-UBT are 0.102 and 0.124, while RegDGCNN yields 0.235 and 0.312, respectively. Information-theoretical analysis shows that the entropy peak of RETO at 0.35 is significantly lower than that of Transolver at 0.75 under $10^4$ resolution, indicating a focused attentional mechanism capable of preserving localized gradients against global diffusion.
Authors: Hao Luo, Wanpeng Zhang, Yicheng Feng, Sipeng Zheng, Haiweng Xu, Chaoyi Xu, Ziheng Xi, Yuhui Fu, Zongqing Lu
Abstract: Visual-Language-Action models (VLAs) have advanced generalist robot control by mapping multimodal observations and language instructions directly to actions, but sparse action supervision often encourages shortcut mappings rather than representations of dynamics, contact, and task progress. Recent world-action models introduce future prediction through video rollouts, yet pixel-space prediction is a costly and indirect substrate for control, as it may model visual details irrelevant to action generation and introduces substantial training or inference overhead. We present Being-H0.7, a latent world-action model that brings future-aware reasoning into VLA-style policies without generating future frames. Being-H0.7 inserts learnable latent queries between perception and action as a compact reasoning interface, and trains them with a future-informed dual-branch design: a deployable prior branch infers latent states from the current context, while a training-only posterior branch replaces the queries with embeddings from future observations. Jointly aligning the two branches at the latent reasoning space leads the prior branch to reason future-aware, action-useful structure from current observations alone. At inference, Being-H0.7 discards the posterior branch and performs no visual rollout. Experiments across six simulation benchmarks and diverse real-world tasks show that Being-H0.7 achieves state-of-the-art or comparable performance, combining the predictive benefits of world models with the efficiency and deployability of direct VLA policies.
Authors: Sichang Steven He, Calvin Ardi, Ramesh Govindan, Harsha V. Madhyastha
Abstract: Many recent news reports have claimed that content generated by large language models (LLMs) is taking over the web. However, these claims are typically not based on a representative sample of the web and the methodology underlying them is often opaque. Moreover, when aiming to minimize the chances of falsely attributing human-authored content to LLMs, we find that detectors of LLM-generated text perform much worse than advertised. Consequently, we lack an understanding of the true prevalence and characteristics of LLM content on the web. We describe DeGenTWeb which systematically identifies LLM-dominant websites: sites whose content has been generated using LLMs with little human input. We show how to adapt detectors of LLM-generated text for use on web pages, and how to aggregate detection results from multiple pages on a site for accurate site-level categorization. Using DeGenTWeb, we find that LLM-dominant sites are highly prevalent both in data from Common Crawl and in Bing's search results, and that this share is growing over time. We also show that continuing to accurately identify such sites appears challenging given the capabilities of the latest LLMs.
Authors: Jonas J\"ager, Paolo Braccia, Pablo Bermejo, Manuel G. Algaba, Diego Garc\'ia-Mart\'in, M. Cerezo
Abstract: Despite rapid recent advances in quantum machine learning, the field is in many ways stuck. Existing approaches can exhibit serious limitations, and we still lack learning frameworks that are simple, interpretable, scalable, and naturally suited to quantum data. To address this, here we introduce quantum Gaussian processes, a Bayesian framework for learning from quantum systems through priors over unknown quantum transformations. We show that, under suitable conditions, unitary quantum stochastic processes define Gaussian processes, thereby enabling regression, classification, and Bayesian optimization directly on quantum data. The key ingredient in this framework is sufficient knowledge of a quantum process's structure and symmetries to define an informative prior through its corresponding quantum kernel, effectively injecting a strong, physics-informed inductive bias into the learning model. We then prove that matchgate, or free-fermionic, evolutions give rise to provable and scalable quantum Gaussian processes, providing the first family in our framework where the unknown unitary acts non-trivially on all qubits. Finally, we demonstrate accurate long-range extrapolation, phase-diagram learning in many-body systems, and sample-efficient Bayesian optimization in a quantum sensing task. Our results identify quantum Gaussian processes as a promising route toward simpler and more structured forms of quantum learning.
Authors: Emma Andrews, Prabhat Mishra
Abstract: Quantum machine learning integrates the strengths of quantum computing and machine learning, enabling models to learn complex features using fewer parameters than their classical counterparts. Due to the increasing complexity of quantum machine learning models, it is necessary to verify that the implementation of these models satisfy the design specification and be free of bugs and faults. Mutation testing is a promising avenue to identify faulty quantum circuits that do not meet design specifications or contain defects by intentionally inserting faults into the quantum circuit. It is necessary to define mutation operations to inject faults into quantum circuits to ensure that a test suite is robust enough to evaluate an implementation against its design specification. In this paper, we extend mutation testing to quantum machine learning applications, primarily quantum neural network models. Specifically, this paper makes two important contributions. We define new mutation operations for efficient fault insertion compared to state-of-the-art approaches. We also present a directed mutation generation technique to reduce redundant mutant circuits. Extensive experimental evaluation demonstrates that our approach generates a more diverse and representative set of mutants, effectively addressing faults that traditional techniques fail to expose.
Authors: Nhung Thi-Hong Duong, Mai Ngoc Ho, Tin Van Huynh, Kiet Van Nguyen
Abstract: In this article, we introduce ViLegalNLI, the first large-scale Vietnamese Natural Language Inference (NLI) dataset specifically constructed for the legal domain. The dataset consists of 42,012 premise-hypothesis pairs derived from official statutory documents and annotated with binary inference labels (Entailment and Non-entailment). It covers multiple legal domains and reflects realistic legal reasoning scenarios characterized by structured logic, conditional clauses, and domain-specific terminology. To construct ViLegalNLI, we propose a semi-automatic data generation framework that integrates large language models for controlled hypothesis generation and systematic quality validation procedures. The framework incorporates artifact mitigation strategies and cross-model validation to improve annotation reliability and ensure legal consistency. The resulting dataset captures diverse reasoning patterns, including paraphrasing, logical implication, and legally invalid inferences, thereby providing a comprehensive benchmark for Vietnamese legal inference tasks. We conduct extensive experiments on the ViLegalNLI using multilingual models, Vietnamese-specific pretrained language models, and instruction-tuned large language models. The results show that few-shot LLM configurations consistently achieve superior performance, while performance is significantly influenced by hypothesis length, lexical overlap, and reasoning complexity. Cross-domain evaluations further reveal the challenges of generalizing legal inference across distinct legal fields. Overall, ViLegalNLI establishes a foundational benchmark for Vietnamese legal NLI and supports future research in legal reasoning, statutory text understanding, and the development of reliable AI systems for legal analysis and decision support. The dataset is publicly available for research purposes.
Authors: Himanshu Singhal, Suresh Sundaram
Abstract: Online signature verification (OSV) requires distinguishing skilled forgeries from genuine samples under high intra-class variability and with very few enrollment samples. Existing deep learning methods operate directly on raw temporal sequences, restricting them to 1D architectures and preventing the use of pretrained 2D vision backbones. We bridge this gap with GAFSV-Net, which represents each signature as a six-channel asymmetric Gramian Angular Field image: three kinematic channels (pen speed, pressure derivative, direction angle) are each encoded into complementary GASF and GADF matrices that capture pairwise temporal co-occurrence and directional transition structure respectively. A dual-branch ConvNeXt-Tiny encoder processes GASF and GADF independently, with bidirectional cross-attention enabling each branch to query discriminative patterns from the other before metric-space projection. Training uses semi-hard triplet loss with skilled-forgery hard-negative injection; verification is performed via cosine similarity against a small enrollment prototype. We evaluate on DeepSignDB and BiosecurID, outperforming all sequence-based baselines trained under identical objectives, demonstrating that the representational gain of 2D temporal encoding is consistent and independent of training procedure, with ablations characterising each design choice's contribution.
Authors: Zifan Zhang, Dianwei Chen, Anjun Gao, Manhua Wang, Mingzhe Chen, Minghong Fang, Xianfeng Yang, Yuchen Liu
Abstract: Network digital twins (NDTs) are transforming network management by offering precise virtual replicas of physical network systems. However, their reliance on diverse and sensitive data introduces significant challenges related to data management, regulatory compliance, and user privacy. In scenarios where selective data removal is necessary, such as device deactivation, network reconfiguration, or regulatory compliance, traditional approaches often fall short of preserving the integrity of the twin model. To address this gap, we introduce a network digital untwinning framework that enables the targeted removal of deprecated NDT contributions while maintaining model integrity. Our approach comprises two complementary components: Single Request Untwinning (\algO) and Parallel Request Untwinning (\algM) mechanisms. \algO leverages connectivity metrics based on geographical proximity, data distribution, and network-level attributes to identify and remove the target NDT along with its propagating influence. This is achieved through an optimally selected rollback checkpoint augmented with injected Gaussian noise, followed by a precise remapping phase. \algM extends this mechanism to efficiently handle multiple removal requests by clustering NDTs with similar attributes and performing a coordinated rollback and untwinning schedule. We provide theoretical guarantees on model indistinguishability from scratch-built twins, and validate the framework through extensive experiments on real-world traffic data, demonstrating its effectiveness and operational efficiency.
Authors: Muhammad Qasim, Farrukh Javed
Abstract: In this paper, we study norm-based regularization methods for neural networks. We compare existing penalization approaches and introduce two regularization strategies that extend classical ridge- and lasso-type penalties to neural network models. The first strategy modifies weight decay by incorporating the covariance structure of the input features into a ridge-type $\ell_2$ penalty, allowing regularization to account for feature dependence. The second combines an $\ell_1$ sparsity penalty with covariance-aware $\ell_2$ regularization, producing neural network weights that are both sparse and structurally informed. Monte Carlo simulations are used to evaluate these methods under different data-generating settings, followed by two real-data applications on building cooling-load prediction and leukemia cell-type classification from high-dimensional gene expression data. Across simulated and real-data examples, the proposed regularizers improve predictive performance on unseen data and provide more effective complexity control than standard norm-based penalties, particularly when features are correlated or high-dimensional.
Authors: Eichi Uehara
Abstract: Double-machine-learning pipelines for the Average Dose-Response Function rely on kernel-weighted local-linear smoothers, which inherit unbounded functional influence: a single outlier within a kernel window biases the curve across the entire window. We introduce SHIFT (Self-calibrated Heavy-tail Inlier-Fit with Tempering), a robust DML estimator combining cross-fit nuisance orthogonalization with a kernel-local Welsch-loss second stage optimized by Graduated Non-Convexity, and -- the principal design choice -- a defensive OLS refit whose inlier cutoff is scaled by post-GNC residual MAD rather than the raw-outcome MAD. On a localized-contamination stress test at $p=0.25$ this design choice drops level-RMSE from 1.03 to 0.33 while leaving clean and uniformly-contaminated runs unchanged. Across 1,400 main-sweep fits, SHIFT has competitive worst-case shape recovery (RMSE $0.325$ at $p=0.25$, second to Huber-DML's $0.276$); among the three methods with worst-case RMSE below $0.35$, only SHIFT emits a non-uniform per-sample weight vector, recovering the ground-truth outlier mask at mean $F_1 \approx 0.96$ (range $0.945$--$0.968$) on Gaussian-jump DGPs. We pair the estimator with a six-technique Extreme Value Theory diagnostic suite (Hill, GPD-MLE/PWM, GEV, Mean Excess, parameter stability, causal tail coefficient) that lets a practitioner distinguish Frechet from Weibull regimes and choose between SHIFT and L1 alternatives on empirical grounds. Extensions to binary-treatment CATE (Huber pseudo-outcome X-Learner) and time-series ADRF (block-CV + rolling MAD) are included. A counter-intuitive ablation: linear nuisance models (Ridge, Lasso) outperform gradient-boosted nuisances for robust DML under uniform contamination, inverting the usual more-flexible-is-better heuristic.
Authors: Jugal Gajjar, Kamalasankari Subramaniakuppusamy
Abstract: When a language model answers a table question, users have no way to verify which cells informed which reasoning steps. We introduce RSAT, a method that trains small language models (SLMs, 1-8B) to produce step-by-step reasoning with cell-level citations grounded in table evidence. Phase 1 (SFT) teaches a structured JSON output format from verified reasoning traces. Phase 2 (GRPO) optimizes a composite reward centered on NLI-based faithfulness, alongside citation validity and parsimony. Across six models from two families-Qwen 2.5 (1.5B/3B/7B) and Llama 3 (1B/3B/8B)-RSAT improves faithfulness 3.7$\times$ over SFT alone (0.224$\rightarrow$0.826), with near-perfect citation validity (0.992). Post-hoc attribution collapses below 13% format success, confirming that attribution must be integrated into reasoning, not retrofitted. Ablations show the faithfulness reward is essential: removing it drops faithfulness from 0.97 to 0.03.
Authors: Kiarash Banihashem, MohammadTaghi Hajiaghayi, Mahdi JafariRaviz, Danny Mittal
Abstract: The standard oracle model for matroid algorithms assumes that each independence query can be answered in constant time, regardless of the size of the queried set. While this abstraction has underpinned much of the theoretical progress in matroid optimization, it masks the true computational effort required by these algorithms. In particular, for natural and widely studied classes such as graphic matroids, even a single independence query can require work linear in the size of the set, making the constant-time assumption implausible. We address this gap by introducing a size-sensitive cost model where the cost of a query $Q$ scales with $|Q|$. Nearly linear-time oracle implementations exist for broad families of matroids, and this refined abstraction therefore captures the true cost of query evaluation while allowing for a more faithful comparison between general matroids and their natural special cases. Within this framework we study three fundamental algorithmic tasks: finding a basis of a matroid, approximating its rank, and approximating its partition size. We establish tight results, proving nearly matching upper and lower bounds that show the optimal query cost is (up to logarithmic factors) quadratic in the size of the matroid. On the algorithmic side, our upper bounds are realized by explicit procedures that construct the desired solution. On the complexity side, our lower bounds are unconditional and already hold even for weaker distinguishing formulations of the problems. Finally, for matroids with maximum circuit size at most $c$, we show that the quadratic barrier can be broken, providing an algorithm that calculates the maximum-weight basis with expected query cost $\mathcal{O}(n^{2-1/c} \log n)$.
Authors: Erkka Rantahalvari, Olli Silv\'en, Zinelabidine Boulkenafet, Constantino \'Alvarez Casado
Abstract: Mobile remote identity verification (RIdV) systems are exposed to attacks that manipulate or replace the facial video stream, including presentation attacks, real-time deepfakes, and video injection. Recent European requirements, including ETSI TS 119 461 and CEN/TS 18099, motivate complementary evidence channels beyond camera-based presentation-attack detection. This paper investigates whether passive motion traces recorded during selfie capture provide auxiliary evidence for spoof screening and user verification. We introduce CanSelfie, a dataset of 375 bona fide multi-sensor sequences collected at 50\,Hz from 30 participants using a commercial mobile RIdV application, together with stationary, handheld, and temporally shifted attack-proxy scenarios. We benchmark 7 multivariate time-series classifiers and 8 whole-series anomaly detectors across sensor configurations and temporal windows. For spoof screening, accelerometer-only ROCKAD obtains 0.00\% false rejection rate (FRR) and 43.8\% false acceptance rate (FAR), while QUANT+3-NN obtains the lowest overall FAR of 32.0\% at 2.37\% FRR; both reject all stationary attack proxies. For same-device and same-session user verification, WEASEL+MUSE reaches 1.07\% equal error rate (EER) using 9 sensor channels. The analysis shows that raw accelerometer data, preserving gravity and orientation cues, is the most informative modality, and that closed-set classification accuracy alone does not imply good verification performance because threshold calibration depends on score distributions. The findings suggest that short selfie-capture motion traces contain measurable spoof-related and identity-related information, supporting their use as a low-friction auxiliary signal while also identifying the need for cross-device, cross-session, and real injection-attack evaluation.
Authors: Christiaan M. Geldenhuys, Thomas R. Niesler
Abstract: We show that pretrained acoustic embeddings classify elephant vocalisations at a level approaching that of end-to-end supervised neural networks, without any fine-tuning of the embedding model. This result is of practical importance because annotated bioacoustic data are scarce and costly to obtain, leaving conventional supervised approaches prone to overfitting and to poor generalisation under domain shift. A broad range of embedding models drawn from general audio, speech, and bioacoustic domains is evaluated, all of which are either out-of-domain (containing no bioacoustic data) or out-of-species (containing no elephant call data). The embedding networks themselves remain fixed; only the lightweight downstream classifiers, which include a linear model and several small neural networks, are trained. Among the models considered, Perch 2.0 achieves the best cross-validated classification performance, attaining AUCs of 0.849 on African bush elephant (Loxodonta africana) calls and 0.936 on Asian elephant (Elephas maximus) calls, with Perch 1.0 close behind. The best-performing system is within 2.2 % of an end-to-end supervised elephant call classification system. A layerwise analysis of pretrained transformer encoders, considered as embedding models, shows that intermediate representations outperform final-layer outputs. The second layer of both wav2vec2.0 and HuBERT encodes sufficient information for effective elephant call classification; truncation at this layer therefore preserves classification performance whilst retaining only approximately 10 % of the parameters of the full network. Such compact embedding networks are well suited to on-device processing where computational resources are limited.
Authors: Carles Domingo-Enrich, Yuanqi Du, Michael S. Albergo
Abstract: We study the problem of training diffusion and flow generative models to sample from target distributions defined by an exponential tilting of a base density; a formulation that subsumes both sampling from unnormalized densities and reward fine-tuning of pre-trained models. This problem can be approached from a stochastic optimal control (SOC) perspective, using adjoint-based or score matching methods, or from a non-equilibrium thermodynamics perspective. We provide a unified framework encompassing these approaches and make three main contributions: (i) bias-variance decompositions revealing that Adjoint Matching/Sampling and Novel Score Matching have finite gradient variance, while Target and Conditional Score Matching do not; (ii) norm bounds on the lean adjoint ODE that theoretically support the effectiveness of adjoint-based methods; and (iii) adaptations of the CMCD and NETS loss functions, along with novel Crooks and Jarzynski identities, to the exponential tilting setting. We validate our analysis with reward fine-tuning experiments on Stable Diffusion 1.5 and 3.
Authors: Yuhui Lu, Wenjing Liu, Kun Zhan
Abstract: Standard diffusion models for graph generation typically rely on uniform time-stepping, an approach that overlooks the non-homogeneous dynamics of distributional evolution on complex manifolds. In this paper, we present an information-geometric framework that reinterprets the diffusion sampling trajectory as a parametric curve on a Riemannian manifold. Our key observation is that the Fisher-Rao metric provides a principled measure of the intrinsic distance. By analyzing this metric, we derive the Drift Variation Score (DVS), a geometry-aware indicator that quantifies the instantaneous rate of distributional change. Unlike prior heuristic-based adaptive samplers, our DVS solver enforces a constant informational speed on the statistical manifold, automatically maintaining a uniform rate of distributional change along the sampling trajectory. This equal arc-length strategy ensures that each discretization step contributes equally to the information speed. Theoretical analysis verifies that DVS characterizes the local stiffness of the sampling dynamics in the Fisher-Rao sense. Experimental results on molecule and social network generation show that DVS significantly improves structural fidelity and sampling efficiency. Code is at https://github.com/kunzhan/DVS
Authors: Bhagyashree Wagh, Akash Singh
Abstract: Mamba's recurrent state h_t is, by construction, a compressed summary of every token seen so far. This raises a tempting hypothesis: if we extract token-level outputs y_t at fixed patch boundaries, we obtain semantic sentence summaries for free, with no pooling head, no fine-tuning, and no [CLS] token. We test this hypothesis carefully. Across five benchmarks (SST-2, CoLA, MRPC, STS-B, IMDb), we compare four strategies for extracting frozen sentence representations from a pretrained Mamba-130M backbone under a strict frozen-feature probing protocol, using three random seeds where computationally feasible. The results do not support the hypothesis: patch boundary readouts do not consistently outperform simple mean pooling. We identify and quantify two structural pathologies: severe anisotropy (mean pairwise cosine similarity 0.9999, std 0.000044) and representational collapse in the raw final SSM state (MCC = 0.000 on CoLA across all three seeds, confirmed via confusion matrix). We further propose orthogonal injection, a modified recurrence that constrains new information per
Authors: Hamidreza Saghir
Abstract: Recent white-box OOD detection methods for LLMs -- including CED, RAUQ, and WildGuard confidence scores -- appear effective, but we show they are structurally confounded by sequence length (|r| >= 0.61) and collapse to near-chance under length-matched evaluation. Even raw attention entropy (mean H(alpha) across heads and layers), a natural baseline we include for completeness, shows the same confound. The confound stems from attention's Theta(log T) dependence on input length. To identify genuine OOD signals after deconfounding, we propose a two-pathway framework: embeddings capture what text is about (effective for topic shifts), while the processing trajectory -- hidden-state evolution across layers -- captures how the model processes input. The relative power of each pathway varies along a vocabulary-transparency spectrum: embedding methods excel on vocabulary-distinctive OOD, while trajectory features detect covert-intent inputs that share vocabulary with normal text (0.721 avg AUROC; Jailbreak: 0.850). Three evidence lines support this framework: (1) a crossover between k-NN and trajectory scoring across 6 tasks, where each pathway wins on different OOD types; (2) a per-layer analysis showing that layer-0 k-NN signal is almost entirely a length artifact (Jailbreak: 0.759 raw -> 0.389 matched) -- processing constructs genuine OOD signal from near-chance embeddings; and (3) circuit attribution showing adversarial tasks engage attention circuits more than semantic tasks (p = 0.022; Jailbreak patching p < 0.001), with partial cross-model replication. Code release upon publication.
Authors: Zawad Yalmie Sazid, Robert Abbas, Sasa Maric
Abstract: AI-powered edge computing security is moving Intelligent Transportation Systems (ITS) from passive, rule-based protections to proactive, smart, zero-touch, self-sufficient safeguards that neutralize threats in milliseconds. As transportation becomes more connected with edge computing, massive IoT, and advanced 5G for vehicle-to-everything (V2X) connectivity, AI at the edge computing nodes plays a crucial role in protecting against sophisticated threats, enabling URLLC (ultra-low-latency communications) for smart transport, and enhancing infrastructure capabilities and safety. This research applies edge computing to improve latency, bandwidth efficiency, and service responsiveness by moving processing closer to devices, gateways, and users. However, this shift also expands the cyberattack surface because edge nodes are distributed, heterogeneous, and often resource-constrained. The paper proposes a trust-aware federated hybrid intrusion detection framework in which a random forest, a decision tree, and a linear SVM network learn complementary traffic representations at each edge site, while a server performs trust-aware aggregation of local model updates.
Authors: Rebecca Saul, Jingzhi Jiang, Elliott Chia, David Wagner
Abstract: Traditionally, machine learning methods for PE malware detection have relied on static features like byte histograms, string information, and PE header contents. One barrier to incorporating dynamic analysis features has been the semi-structured nature of sandbox behavior reports. We show that, using the latest generation of large language models with reasoning, it is possible to efficiently process these behavior reports and utilize them as part of a malware detection pipeline. Specifically, we leverage LLMs to generate behavior-based malware detection rules based on a small training set of labeled malware. We find that these detection rules, derived from behavioral features, are much more robust to concept drift than standard static-feature methods, while maintaining practical false positive rates. Finally, we introduce Trident, a system which combines a classic decision tree model over static features, our behavior-based detection rules, and direct LLM analysis of sandbox reports through majority voting. Trident outperforms standard methods using static features, outperforms behavior-based rules alone, and is as resilient to concept drift as active learning methods without requiring retraining.
Authors: Yuxuan Gao, Megan Wang, Yi Ling Yu
Abstract: Public inference benchmarks compare AI systems at the model and provider level, but the unit at which deployment decisions are actually made is the endpoint: the (provider, model, stock-keeping-unit) tuple at which a specific quantization, decoding strategy, region, and serving stack is exposed. We introduce TokenArena, a continuous benchmark that measures inference at endpoint granularity along five core axes (output speed, time to first token, workload-blended price, effective context, and quality on the live endpoint) and synthesizes them, together with a modeled energy estimate, into three headline composites: joules per correct answer, dollars per correct answer, and endpoint fidelity (output-distribution similarity to a first-party reference). The framework's novelty is empirical and methodological. Across 78 endpoints serving 12 model families, the same model on different endpoints differs in mean accuracy by up to 12.5 points on math and code, in fingerprint similarity to first party by up to 12 points, in tail latency by an order of magnitude, and in modeled joules per correct answer by a factor of 6.2. We further show that workload-aware blended pricing reorders the leaderboard substantially: 7 of 10 top-ranked endpoints under the chat preset (3:1 input:output) fall out of the top 10 under the retrieval-augmented preset (20:1), and the reasoning preset (1:5) elevates frontier closed models that the chat preset penalizes on price. We release the framework, schema, probe and eval harness, and a v1.0 leaderboard snapshot under CC BY 4.0. TokenArena is a methodology, not a single ranking; we publish full provenance and limitations and welcome external replication.
Authors: Zhili Li, Kangyang Chai, Zhihao Wang, Xiaowei Jia, Yanhua Li, Gengchen Mai, Sergii Skakun, Dinesh Manocha, Yiqun Xie
Abstract: Super-resolution (SR) techniques have made major advances in reconstructing high-resolution images from low-resolution inputs. The increased resolution provides visual enhancement and utility for monitoring tasks. In particular, SR has been increasingly developed for satellite-based Earth observation, with applications in urban planning, agriculture, ecology, and disaster response. However, existing SR studies and benchmarks typically use fidelity metrics such as PSNR or SSIM, whereas the true utility of super-resolved images lies in supporting downstream tasks such as land cover classification, biomass estimation, and change detection. To bridge this gap, we introduce GeoSR-Bench, a downstream task-integrated SR benchmark dataset to evaluate SR models beyond fidelity metrics. GeoSR-Bench comprises spatially co-located, temporally aligned, and quality-controlled image pairs from about 36,000 locations across diverse land covers, spanning resolutions from 500m to 0.6m. To the best of our knowledge, GeoSR-Bench is the first SR benchmark that directly connects improved image resolution from SR models with downstream Earth monitoring tasks, including land cover segmentation, infrastructure mapping, and biophysical variable estimation. Using GeoSR-Bench, we benchmark GAN, transformer, neural operator, and diffusion-based SR models on perceptual quality and downstream task performance. We conduct experiments with 270 settings, covering 2 cross-platform SR tasks, 9 SR models, 3 downstream task models, and 5 downstream tasks for each SR task. The results show that improvements in traditional SR metrics often do not correlate with gains in task performance, and the correlations can be negative, indicating that these metrics provide limited guidance for selecting superior models for downstream tasks. This reveals the need to integrate downstream tasks into SR model development and evaluation.
Authors: Minghui Chen, Chenxu Yang, Hengjie Zhu, Dayan Wu, Zheng Lin, Qingyi Si
Abstract: Large Vision-Language Models (LVLMs) often suffer from hallucinations, generating descriptions that include visual details absent from the input image. Recent preference alignment methods typically rely on supervision distilled from stronger models such as GPT. However, this offline paradigm introduces a Supervision-Perception Mismatch: the student model is forced to align with fine-grained details beyond its perceptual capacity, learning to guess rather than to see. To obtain reliable self-supervision for online learning, we identify a Generative-Discriminative Gap within LVLMs, where models exhibit higher accuracy on discriminative verification than open-ended generation. Leveraging this capability, we propose \textbf{O}nline \textbf{S}elf-\textbf{CA}lib\textbf{R}ation (OSCAR), a framework that integrates Monte Carlo Tree Search with a Dual-Granularity Reward Mechanism to construct preference data and iteratively refines the model via Direct Preference Optimization. Extensive experiments demonstrate that OSCAR achieves state-of-the-art performance on hallucination benchmarks while improving general multimodal capabilities.
Authors: Jieming Di, Xiaoyu Chen, Ying She, Siyu Wang, Lizzie Liu, Fenggang Wu, Jiaoying Mu, Tony Tsui, Amr Elroumy, Hsing Tang, Zewei Jiang, Qiao Yang, Lin Qi, Haibo Lin, Weifeng Cui, Daniel Li, Kapil Gupta, Shivendra Pratap Singh, Jie Zheng, Arnold Overwijk, Ling Leng, Sri Reddy, Robert Malkin, Rocky Liu
Abstract: Large-scale ranking systems depend on thousands of features derived from user behavior across multiple time horizons. Typically requires model retraining -- resulting in long iteration cycles (3--6 months), substantial GPU resource consumption, and limited rollout throughput. We introduce Intelligent Elastic Feature Fading (IEFF), a production infrastructure system that enables retrain-free feature efficiency rollouts by elastically controlling feature coverage and distribution at serving time. IEFF supports incremental feature coverage adjustments while models adapt through recurring training, eliminating dependencies on explicit retraining cycles. The system incorporates strict safety guardrails, reversibility mechanisms, and comprehensive monitoring to ensure stability at scale. Across multiple production use cases, IEFF accelerates efficiency-related rollouts by 5$\times$, eliminates retraining-related GPU overhead, and enables faster capacity recycling. Extensive offline and online experiments demonstrate that gradual feature fading prevents 50--55\% of online performance degradation compared to abrupt feature removal, while maintaining stable model behavior. These results establish elastic, system-level feature fading as a practical and scalable approach for managing feature efficiency in modern industrial ranking systems.
Authors: Akira Tamamori
Abstract: High-capacity associative memories based on Kernel Logistic Regression (KLR) exhibit strong storage capabilities, but the dynamical and geometric mechanisms underlying their stability remain poorly understood. This paper investigates the global geometry of attractor basins and the physical determinants of the storage limit in KLR-trained Hopfield networks. We combine empirical evaluations using random sequences and real-world image embeddings (CIFAR-10) with phenomenological morphing experiments and statistical Signal-to-Noise Ratio (SNR) analysis. Our experiments reveal that the network achieves a storage capacity for random sequences up to $P/N \approx 16$ , and maintains stable retrieval for structured data at effective loads near $P/N \approx 20$ . Through morphing analysis, we reveal that attractors on the "Ridge of Optimization" are separated by sharp, phase-transition-like boundaries, characterized by steep effective potential barriers and critical slowing down. Furthermore, by contrasting an SNR analysis with a geometric reference point inspired by Cover's theorem, we show that the ultimate storage limit is constrained primarily not by a lack of geometric separability in the feature space, but by the loss of dynamical stability against crosstalk noise. These findings suggest that KLR networks function as highly localized, exemplar-based memories that operate optimally just before the onset of dynamical collapse, providing new insights into the design of robust, large-scale retrieval systems.
Authors: Ben Wan, Yan Feng, Zihan Tang, Weizhe Huang, Yuting Zeng, Jia Wang, Tongxuan Liu
Abstract: DeepSeek-OCR leverages visual-text compression to reduce long-text processing costs and accelerate inference, yet visual tokens remain prone to redundant textual and structural information. Moreover, current token pruning methods for conventional vision-language models (VLMs) fail to preserve textual fidelity due to improper compression mechanisms. By analyzing the decoding process of DeepSeek-OCR, we find that a distinct two-stage reading trajectory: the model initially prioritizes the majority of high-norm tokens, then subsequently redistributes its attention to the remaining ones. Motivated by this insight, we propose RTPrune, a two-stage token pruning method tailored for DeepSeek-OCR. In the first stage, we prioritize high-norm visual tokens that capture salient textual and structural information. In the second stage, the remaining tokens are paired and merged based on optimal transport theory to achieve efficient feature aggregation. We further introduce a dynamic pruning ratio that adapts to token similarity and textual density for OCR tasks, enabling a better efficiency-accuracy trade-off. Extensive experiments demonstrate state-of-the-art performance, as evidenced by 99.47% accuracy and 1.23$\times$ faster prefill on OmniDocBench, achieved with 84.25% token retention when applied to DeepSeek-OCR-Large.
Authors: Bo Tang, Weiwei Xie
Abstract: Spiking Neural Networks (SNNs) provide a promising framework for energy-efficient and biologically grounded computation; however, scalable learning in deep recurrent architectures with sparse connectivity remains a major challenge. In this work, we propose a structured multi-layer recurrent SNN architecture composed of locally dense recurrent layers augmented with sparse small-world long-range projections to a readout population. The long-range connectivity is largely fixed, preserving routing efficiency and hardware scalability, while synaptic adaptation is performed using strictly local plasticity mechanisms. To enable supervised learning without backpropagation or surrogate gradients, we introduce a biologically motivated learning framework that combines: (i) population-based winner-take-all (WTA) teaching signals at the output layer, (ii) fixed random broadcast alignment feedback pathways, and (iii) low-dimensional modulatory neuron populations that gate synaptic updates through three-factor learning rules with eligibility traces. This design supports deep recurrent computation with sparse global communication and purely local synaptic updates. We analyze the algorithmic properties, computational complexity, and hardware feasibility of the proposed approach, and demonstrate stable learning and competitive performance on benchmark classification tasks. The results highlight the potential of structured recurrence and neuromodulatory learning to enable scalable, hardware-compatible SNN training beyond gradient-based methods.
Authors: Maksym Nechepurenko, Pavel Shuvalov
Abstract: Evaluating the true forecasting ability of AI agents requires environments resistant to overfitting, free from centralized trust, and grounded in incentive-compatible scoring. Existing benchmarks either rely on static datasets vulnerable to training-data contamination, or measure trading PnL -- a metric conflating predictive accuracy with timing, sizing, and risk appetite. We introduce Foresight Arena, the first permissionless, on-chain benchmark for evaluating AI forecasting agents on real-world prediction markets. Agents submit probabilistic forecasts on binary Polymarket markets via a commit-reveal protocol enforced by Solidity smart contracts on Polygon PoS; outcomes are resolved trustlessly through the Gnosis Conditional Token Framework. Performance is measured by the Brier Score and a novel Alpha Score -- proper scoring rules that incentivize honest probability reporting and isolate predictive edge over market consensus. We provide a formal analysis: closed-form variance for per-market Alpha, the connection to Murphy's classical Brier decomposition, and a power analysis characterizing the number of rounds required to reliably distinguish agents of different skill levels. We show that detecting a true edge of $\alpha^* = 0.02$ at 80% power requires approximately 350 resolved binary predictions (50 rounds of 7 markets), while $\alpha^* = 0.01$ requires four times more. We complement these analytical results with a 50-round live evaluation of five frontier LLM agents plus a random baseline. Murphy decomposition distinguishes well-calibrated agents from market-tracking agents that fail through reduced resolution. All smart contracts and evaluation infrastructure are open-source.
Authors: Pankaj Gupta, Kartik Bose
Abstract: Large language models (LLMs) show promise in radiology but their deployment is limited by computational requirements that preclude use in resource-constrained clinical environments. We investigate whether small language models (SLMs) of 3-4 billion parameters can achieve strong multi-task radiology performance through LoRA fine-tuning, enabling deployment on consumer-grade CPUs. We train Qwen2.5-3B-Instruct and Qwen3-4B on 162K samples spanning 9 radiology tasks - RADS classification across 10 systems, impression generation, temporal comparison, radiology NLI, NER, abnormality detection, N/M staging, and radiology Q&A - compiled from 12 public datasets. Both models are evaluated on up to 500 held-out test samples per task with standardized metrics. Our key findings are: (1) LoRA fine-tuning dramatically improves performance over zero-shot baselines (RADS accuracy +53%, NLI +60%, N-staging +89%); (2) the two models exhibit complementary strengths - Qwen2.5 excels at structured generation tasks while Qwen3 dominates extractive tasks; (3) a task-outed oracle ensemble combining both models achieves the best performance across all tasks; (4) few-shot prompting with fine-tuned models hurts performance, demonstrating that LoRA adaptation is more effective than in-context learning for specialized domains; and (5) models can be quantized to GGUF format (~1.8-2.4GB) for CPU deployment at 4-8 tokens/second on consumer hardware. Our work demonstrates that small, efficiently fine-tuned models - which we collectively call RadLite - can serve as practical multi-task radiology AI assistants deployable entirely on consumer hardware without GPU requirements.
Authors: Akira Takahashi, Ryosuke Sawata, Shusuke Takahashi, Yuki Mitsufuji
Abstract: Although recent video-to-audio (V2A) models excelled at synthesizing semantically plausible sounds from visual inputs, they do not explicitly model room-acoustic effects such as reverberation or room impulse responses (RIRs), and thus offer limited controllability over these effects. However, we hypothesize that such V2A models implicitly have semantic knowledge of the relationship between spatial audio and the corresponding vision cues. In this paper, we revisit a V2A model for the sake of the above, and propose the way to utilize the pretrained model as prior for physically grounded room-acoustic processing. Based on one of the state-of-the-art V2A models, MMAudio, we propose MMAudioReverbs that is a unified framework dealing with i) dereverberation and ii) room impulse response (RIR) estimation without network architectural modification, and fine-tuned on a small dataset. Experimental results showed that audio and visual cues respectively have advantage depending on the type of physical room acoustics. It implies that foundation V2A models can be used for physically grounded room-acoustic analysis.
Authors: Nan Jiang, Jiadong Hong, Lei Liu, Xinyu Bian, Wenjie Wang, Zhaoyang Zhang
Abstract: Learning-based MIMO detection has shown strong empirical performance, yet existing methods typically rely on fixed-depth architectures without explicitly modeling the progressive refinement of symbol estimates. In this paper, we revisit MIMO detection from a flow matching perspective and propose the Soft Graph Diffusion Transformer (SGDiT), which reformulates detection as a noise-level-conditioned denoising process that progressively transforms a Gaussian initialization toward the posterior conditioned on channel observations. An adaptive layer normalization (AdaLN)-conditioned soft graph transformer is employed to parameterize the denoising dynamics, enabling stage-aware information integration between observation and symbol domains. To better align with the discrete nature of symbol detection, we further adopt a cross-entropy-based training objective that directly models bit-wise posterior probabilities, providing a more suitable inductive bias than conventional regression-based formulations. Experimental results across various MIMO system configurations demonstrate that SGDiT achieves competitive bit error rate (BER) performance compared with representative baselines. Furthermore, the proposed model exhibits good generalization capability across different channel conditions. Overall, the SGDiT framework provides an effective and practical approach for neural MIMO detection.
Authors: Po-Heng Chou, Yi-Fang Yu, Shou-Yu Chen, Chiapin Wang
Abstract: The coexistence of NR-U and Wi-Fi in unlicensed spectrum introduces a system-level resource coordination problem, where heterogeneous channel access mechanisms lead to a significant imbalance in spectrum utilization and degraded Wi-Fi performance. To address this challenge, we propose a policy-driven deep reinforcement learning (DRL) framework for adaptive TXOP control, in which the coexistence process is formulated as a Markov decision process (MDP) and a deep Q-network (DQN) learns control policies through online interaction. A key contribution is the introduction of a policy layer via reward design, enabling explicit control of system-level tradeoffs among fairness, throughput, and quality of service (QoS). Three policies, namely absolute fairness, moderate fairness, and utility-based fairness, are developed to achieve different operating points. Simulation results show that the proposed framework achieves a Jain fairness index above 0.9 under strict fairness control. Compared to absolute fairness, moderate fairness improves aggregate throughput by 68.22%, while the utility-based policy further enhances utility by 177.6%. These results demonstrate that policy-driven control provides a flexible and effective solution for managing tradeoffs in heterogeneous coexistence networks.
Authors: Weifei Jin, Xilong Wang, Wei Zou, Jinyuan Jia, Neil Gong
Abstract: Retrieval-augmented generation (RAG) is vulnerable to prompt injection attacks, in which an adversary inserts malicious documents containing carefully crafted injected prompts into the knowledge database. When a user issues a question targeted by the attack, the RAG system may retrieve these malicious documents, whose injected prompts mislead it into generating attacker-specified answers, thereby compromising the integrity of the RAG system. In this work, we propose CleanBase, a method to detect malicious documents within a knowledge database. Our key insight is that malicious documents crafted for the same attack-targeted questions often exhibit high semantic similarity, as attackers deliberately make them consistent to improve attack success rates. Accordingly, CleanBase constructs a similarity graph over the knowledge database, where each node represents a document and an edge connects two nodes if their semantic similarity--computed using an embedding model--exceeds a statistically determined threshold. Due to their inherent similarity, malicious documents tend to form cliques within this graph. CleanBase detects such cliques and flags the corresponding documents as malicious. We theoretically derive upper bounds on CleanBase's false positive and false negative rates and empirically validate its effectiveness. Experimental results across multiple datasets and prompt injection attacks demonstrate that CleanBase accurately detects malicious documents and effectively safeguards RAG systems. Our source code is available at https://github.com/WeifeiJin/CleanBase.
Authors: Wenda Chu, Bingliang Zhang, Jiaqi Han, Yizhuo Li, Linjie Yang, Yisong Yue, Qiushan Guo
Abstract: Autoregressive image modeling relies on visual tokenizers to compress images into compact latent representations. We design an end-to-end training pipeline that jointly optimizes reconstruction and generation, enabling direct supervision from generation results to the tokenizer. This contrasts with prior two-stage approaches that train tokenizers and generative models separately. We further investigate leveraging vision foundation models to improve 1D tokenizers for autoregressive modeling. Our autoregressive generative model achieves strong empirical results, including a state-of-the-art FID score of 1.48 without guidance on ImageNet 256x256 generation.
Authors: Ta Thanh Thuy, Jiaqi Zhu, Xuan Liu, Lin Shang, Reihaneh Rabbany, Guillaume Rabusseau, Lihui Chen, Zheng Yilun, Sitao Luan
Abstract: Understanding how people argue across ideological divides online is important for studying political polarization, misinformation, and content moderation. Existing datasets capture only part of this problem: some preserve text but ignore interaction structure, some model structure without rich semantics, and others represent conversations without stable user-level ideological identity. We introduce ControBench, a benchmark for controversial discourse analysis that combines heterogeneous social interaction graphs with rich textual semantics. Built from Reddit discussions on three topics, Trump, abortion, and religion, ControBench contains 7,370 users, 1,783 posts, and 26,525 interactions. The graph contains user and post nodes connected by semantically enriched edges; in particular, user-comment-user edges encode both a reply and the parent comment that it responds to, preserving local argumentative context. User labels are derived from self-declared Reddit flairs, providing a scalable proxy for ideological identity without manual annotation. The resulting datasets exhibit low or negative adjusted homophily (Trump: -0.77, Abortion: 0.06, Religion: 0.04), reflecting the cross-cutting structure of real-world debate. We evaluate graph neural networks, pretrained language models, and large language models on ControBench and observe distinct performance patterns across topics and model families, especially when ideological boundaries are ambiguous. These results position ControBench as a challenging and realistic benchmark for controversial discourse analysis.
Authors: Minhee Lee, Sangyoon Lee, Jiwook Lee, Minki Hong, Kyuyoung Kim, Wonhwa Kim, Jaeho Lee
Abstract: Lissajous confocal laser endomicroscopy (CLE) is a promising solution for high speed in vivo optical biopsy for handheld scenarios. However, Lissajous scanning traces a resonant trajectory and samples only the visited pixels per frame; at high frame rates, many pixels remain unvisited, creating structured holes. In this work, we introduce the first benchmark for high-rate Lissajous CLE, consisting of low-quality video clips paired with high-quality reference images. The reference images are wide-FOV mosaics obtained by stitching stabilized, slow-scan frames of the same tissue, enabling temporally aligned supervision. Using this dataset, we propose MIRA, a lightweight recurrent framework for Lissajous CLE restoration that iteratively aggregates temporal context through feature reuse and displacement alignment. Our experiments demonstrate that MIRA outperforms both lightweight and high-complexity baselines in restoration quality while maintaining a favorable computational efficiency suitable for clinical deployment.
Authors: Dongxin Guo, Jikun Wu, Siu Ming Yiu
Abstract: AI agents execute tens to hundreds of chained LLM calls per task, yet GPU schedulers treat each call as independent, discarding gigabytes of intermediate state between steps and inflating end-to-end latency by 3-8x. We argue that this request-level abstraction is fundamentally mismatched to compound AI workloads, and propose a shift to program-level scheduling: treating the entire agent workflow (not individual inference calls) as the first-class schedulable unit. We present SAGA, a distributed scheduler that implements this abstraction through three mechanisms: (1) Agent Execution Graphs that capture workflow structure to predict KV cache reuse across tool-call boundaries, achieving within 1.31x of B\'el\'ady's optimal offline policy; (2) session-affinity batching with work stealing that co-locates correlated requests while maintaining global load balance; and (3) Agent Fair Share, a task-completion-time fairness metric with provable bounded-deviation guarantees. On a 64-GPU cluster serving SWE-bench coding agents and WebArena browser tasks, SAGA reduces task completion time by 1.64x (geometric mean, p < 0.001) over vLLM v0.15.1 with prefix caching and affinity routing, while improving GPU memory utilization by 1.22x and achieving 99.2% SLO attainment under multi-tenant interference. These latency gains come at a quantified cost: approximately 30% lower peak throughput than throughput-optimal batch scheduling, a tradeoff appropriate for the latency-sensitive interactive deployments that dominate compound AI usage. Our results demonstrate that workflow-aware scheduling is essential for efficient compound AI serving.
Authors: M. Grailoo, J. N\'u\~nez-Y\'a\~nez
Abstract: Scaling laws for Large Language Models (LLMs) establish that model quality improves with computational scale, yet edge deployment imposes strict constraints on compute, memory, and power. Since General Matrix Multiplication (GEMM) accounts for up to 90\% of inference time, efficient GEMM acceleration is critical for edge AI. The Adaptive Intelligent Engines available in the AMD Versal adaptive SoCs are well suited for this task, but existing state-of-the-art (SOTA) frameworks maximize performance through spatial scaling, distributing workloads across hundreds of cores -- an approach that fails on resource-limited edge SoCs due to physical implementation failures, bandwidth saturation, and excessive resource consumption. We propose Tempus, a Resource-Invariant Temporal GEMM framework for the AMD Versal AI Edge SoC. Rather than expanding hardware resources with matrix size, Tempus employs a fixed compute block of 16 AIE-ML cores, achieving scalability through iterative graph execution and algorithmic data tiling and replication in the Programmable Logic. High-speed cascade streaming ensures low-latency partial sum reduction at Initiation Interval (II) of 1, while a deadlock-free DATAFLOW protocol maximizes transfer-compute overlap and PLIO reuse. Evaluated on GEMM workloads, Tempus achieves 607 GOPS at 10.677 W total on-chip power. By characterizing system-level efficiency through the Platform-Aware Utility (PAU) metric, we prove that Tempus achieves a 211.2x higher prominence factor than the leading spatial SOTA (ARIES). Furthermore, the framework maintains a 0.00\% utilization of URAM/DSP, yielding 22.0x core frugality, 7.1x power frugality, and a 6.3x reduction in I/O demand, establishing a sustainable, scalable foundation for edge LLM inference.
Authors: Rajalakshmi Palaniappan, Christoph Karg, Nemesio Navarro-Arambula, Peter Hirsch, Kristin Kraeker, Lisa Mais, Dagmar Kainmueller
Abstract: Blood vessel segmentation and -tracing are essential tasks in many medical imaging applications. Although numerous methods exist, the prevailing segment-then-fix paradigm is fundamentally limited regarding its suitability for modeling the task of complete and topologically accurate vascular network reconstruction. Here, we propose an approach to extract topologically more accurate vascular graphs from 3D image data, building upon highly successful ideas from the related biomedical tasks of cell segmentation and -tracking. Our approach first predicts voxel-wise vessel direction vectors joint with standard vessel segmentation masks. Second, to extract the vascular graph from these predictions, we introduce a direction-vector-guided extension of the TEASAR algorithm. Our approach achieves state-of-the-art performance on three benchmark datasets, spanning both synthetic and real imagery. We further demonstrate the applicability of our approach to challenging 3D micro-CT scans of rat heart vasculature. Finally, we propose meaningful and interpretable measures of topological error, namely false splits and false merges for graphs. Overall, our approach substantially improves the topological accuracy of reconstructed vascular graphs, being able to separate closely apposed vessel segments and handle multiple vascular trees within a single volume.
Authors: Nikita Zozoulenko, Daniel Falkowski, Thomas Cass, Lukas Gonon
Abstract: Gradient Boosting Decision Trees (GBDTs) dominate tabular machine learning, with modern implementations like XGBoost, LightGBM, and CatBoost being based on Newton boosting: a second-order descent step in the space of decision trees. Despite its empirical success, the global convergence of Newton boosting is poorly understood compared to first-order boosting. In this paper, we introduce Restricted Newton Descent, which studies convex optimization with Newton's method on Hilbert spaces with inexact iterates, based on the concepts of cosine angle and weak gradient edge. Within this framework, we recover Newton boosting with GBDTs and classical finite-dimensional theory as special cases. We first prove that vanilla Newton boosting achieves a linear rate of convergence for smooth, strongly convex losses that satisfy a Hessian-dominance condition. To handle general convex losses with Lipschitz Hessians, we extend a recent gradient regularized Newton scheme to the restricted weak learner setting. This scheme minimally modifies the classical algorithm by introducing an adaptive $\ell_2$-regularization term proportional to the square root of the gradient norm at each iteration. We establish a $\mathcal{O}(\frac{1}{k^2})$ rate for this scheme, thereby obtaining a globally convergent second-order GBDT algorithm with a rate matching that of first-order boosting with Nesterov momentum. In numerical experiments, we show that our scheme converges while vanilla Newton boosting may diverge.
Authors: Aharon Azulay, Jan Dubi\'nski, Zhuoyun Li, Atharv Mittal, Yossi Gandelsman
Abstract: The visual modality of vision-language models (VLMs) is an underexplored attack surface for bypassing safety alignment. We introduce four jailbreak attacks exploiting the vision component: (1) encoding harmful instructions as visual symbol sequences with a decoding legend, (2) replacing harmful objects with benign substitutes (e.g., bomb -> banana) then prompting for harmful actions using the substitute term, (3) replacing harmful text in images (e.g., on book covers) with benign words while visual context preserves the original meaning, and (4) visual analogy puzzles whose solution requires inferring a prohibited concept. Evaluating across six frontier VLMs, our visual attacks bypass safety alignment and expose a cross-modality alignment gap: text-based safety training does not automatically generalize to harmful intent conveyed visually. For example, our visual cipher achieves 40.9% attack success on Claude-Haiku-4.5 versus 10.7% for an equivalent textual cipher. To further our insight into the attack mechanism, we present preliminary interpretability and mitigation results. These findings highlight that robust VLM alignment requires treating vision as a first-class target for safety post-training.
Authors: Massimo Rondelli, Francesco Pivi, Maurizio Gabbrielli
Abstract: Automatic generation of executable Blender code from natural language remains challenging, with state-of-the-art LLMs producing frequent syntactic errors and geometrically inconsistent objects. We present BlenderRAG, a retrieval-augmented generation system that operates on a curated multimodal dataset of 500 expert-validated examples (text, code, image) across 50 object categories. By retrieving semantically similar examples during generation, BlenderRAG improves compilation success rates from 40.8% to 70.0% and semantic normalized alignment from 0.41 to 0.77 (CLIP similarity) across four state-of-the-art LLMs, without requiring fine-tuning or specialized hardware, making it immediately accessible for deployment. The dataset and code will be available at https://github.com/MaxRondelli/BlenderRAG.
Authors: Joy Bose
Abstract: Sequence learning reduces to similarity-based retrieval over a temporally indexed representation space, a constraint on any sequence model, not a property of a specific architecture. We show that a spiking Sparse Distributed Memory sequence machine (2007) and the transformer (2017) independently instantiate the same five functional operations (encoding, context maintenance, associative retrieval, storage, and decoding), with cosine similarity as the shared retrieval primitive in both. We formalise a Phase-Latency Isomorphism showing that sinusoidal positional phase and spike timing are linearly related, and prove that dot product attention is invariant to this mapping up to a global scale factor on the positional component (Lemma 1). Empirically, frequency-compressed positional encoding fails to converge on a positionally demanding copy task, while a learned rank-based embedding matches or exceeds sinusoidal encoding, indicating that the critical property for positional representation is distance discriminability under dot-product similarity, not sinusoidal form. Time, phase, and rank are three instantiations of the same computational primitive, an ordered index whose structure survives similarity-based retrieval.
Authors: Kaizheng Wang, Yuhang Wu, Assaf Zeevi
Abstract: We study adaptive querying for learning user-dependent quantities of interest, such as responses to held-out items and psychometric indicators, within tight question budgets. Classical Bayesian design and computerized adaptive testing typically rely on restrictive parametric assumptions or expensive posterior approximations, limiting their use in heterogeneous, high-dimensional, and cold-start settings. We introduce a persona-induced latent variable model that represents a user's state through membership in a finite dictionary of AI personas, each offering response distributions produced by a large language model. This yields expressive priors with closed-form posterior updates and efficient finite-mixture predictions, enabling scalable Bayesian design for sequential item selection. Experiments on synthetic data and WorldValuesBench demonstrate that persona-based posteriors deliver accurate probabilistic predictions and an interpretable adaptive elicitation pipeline.
Authors: Zoe Fowler, Ghassan AlRegib
Abstract: Federated learning (FL) holds great potential for medical applications. However, statistical heterogeneity across healthcare institutions poses a major challenge for FL, as the global model struggles both to generalize across unseen patient populations and to adapt to the unique data distributions of individual hospitals. This heterogeneity also exacerbates forgetting at both the global and local level, resulting in previous learned patient patterns to be misclassified after model updates. While prior work has largely treated generalization and personalization as separate challenges, we show that a better balance between the two can be achieved through selective alignment with the global model and a modified aggregation scheme, which together mitigate the effects of statistical heterogeneity. Specifically, we introduce FedKPer, which introduces knowledge personalization into the training stage of each local device. Afterwards, generalization is considered via the global model aggregation process, where local updates that are reliable and label-diverse are emphasized. We evaluate the performance of FedKPer, devising additional metrics that relate to common consequences of forgetting. Overall, we demonstrate FedKPer improves the generalization-personalization trade-off without sacrificing retention.
Authors: Mohammad Rafiqul Islam, Lingjiong Zhu
Abstract: We propose Decentralized Proximal Stochastic Gradient Langevin Dynamics (DE-PSGLD), a decentralized Markov chain Monte Carlo (MCMC) algorithm for sampling from a log-concave probability distribution constrained to a convex domain. Constraints are enforced through a shared proximal regularization based on the Moreau-Yosida envelope, enabling unconstrained updates while preserving consistency with the target constrained posterior. We establish non-asymptotic convergence guarantees in the 2-Wasserstein distance for both individual agent iterates and their network averages. Our analysis shows that DE-PSGLD converges to a regularized Gibbs distribution and quantifies the bias introduced by the proximal approximation. We evaluate DE-PSGLD for different sampling problems on synthetic and real datasets. As the first decentralized approach for constrained domains, our algorithm exhibits fast posterior concentration and high predictive accuracy.
Authors: Zihao Ding, Beining Wu, Jun Huang
Abstract: Federated Multimodal Learning (FML) trains multimodal models across decentralized clients while keeping their image-text pairs private. However, joint embedding training entangles forgotten knowledge across both modalities and client gradient subspaces, hindering federated unlearning. Previous federated unlearning approaches neither sever the cross-modal reconstruction channel mediated by bilinear coupling nor separate forget-exclusive update directions from those shared with retained clients. We identify an Anchor Principle for federated multimodal contrastive unlearning: forgotten alignments persist through three residual anchors arising from bilinear cross-modal coupling, principal-angle subspace entanglement, and continued federated updates. At the modality level, we show that bilateral displacement of both visual and language branches closes the cross-modal reconstruction channel. Correspondingly, our method addresses subspace entanglement through Cosine--Sine decomposition of client-update subspaces, isolating forget-exclusive directions from retain support. Moreover, we propose a direction-selective Forget Lock that bounds residual drift across rounds. Combining these strategies, we present EASE, an Entanglement-Aware Subspace Excision framework that closes all three anchor channels under a unified design. EASE demonstrates consistent superiority across multiple datasets and unlearning scenarios, for instance, matching the retrain reference to within 0.2 and 4.2 R@1 points on the forget and retain sides under client unlearning on Flickr30K with CLIP-B/32.
Authors: Gaku Omiya, Pierre-Louis Poirion, Akiko Takeda
Abstract: Randomized-subspace methods reduce the cost of first-order optimization by using only low-dimensional projected-gradient information, a feature that is attractive in forward-mode automatic differentiation and communication-limited settings. While Nesterov acceleration is well understood for full-gradient and coordinate-based methods, obtaining accelerated methods for general subspace sketches that use only projected-gradient information and can improve over full-dimensional Nesterov acceleration in oracle complexity is technically nontrivial. We develop randomized-subspace Nesterov accelerated gradient methods for smooth convex and smooth strongly convex optimization under matrix smoothness and generic sketch moment assumptions. The key technical ingredient is a three-sequence formulation tailored to matrix smoothness, which recovers the corresponding classical Nesterov methods in the full-dimensional case. The resulting theory establishes accelerated oracle-complexity guarantees and makes explicit how matrix smoothness and the sketch distribution enter the complexity. It also provides a unified basis for comparing sketch families and identifying when randomized-subspace acceleration improves over full-dimensional Nesterov acceleration in oracle complexity.
Authors: Theodore Papamarkou, Pierre Alquier, Matthias Bauer, Wray Buntine, Andrew Davison, Gintare Karolina Dziugaite, Maurizio Filippone, Andrew Y. K. Foong, Vincent Fortuin, Dimitris Fouskakis, Jes Frellsen, Eyke H\"ullermeier, Theofanis Karaletsos, Mohammad Emtiyaz Khan, Nikita Kotelevskii, Salem Lahlou, Yingzhen Li, Fang Liu, Clare Lyle, Thomas M\"ollenhoff, Konstantina Palla, Maxim Panov, Yusuf Sale, Kajetan Schweighofer, Artem Shelmanov, Siddharth Swaroop, Martin Trapp, Willem Waegeman, Andrew Gordon Wilson, Alexey Zaytsev
Abstract: LLMs excel at predictive tasks and complex reasoning tasks, but many high-value deployments rely on decisions under uncertainty, for example, which tool to call, which expert to consult, or how many resources to invest. While the usefulness and feasibility of Bayesian approaches remain unclear for LLM inference, this position paper argues that the control layer of an agentic AI system (that orchestrates LLMs and tools) is a clear case where Bayesian principles should shine. Bayesian decision theory provides a framework for agentic systems that can help to maintain beliefs over task-relevant latent quantities, to update these beliefs from observed agentic and human-AI interactions, and to choose actions. Making LLMs themselves explicitly Bayesian belief-updating engines remains computationally intensive and conceptually nontrivial as a general modeling target. In contrast, this paper argues that coherent decision-making requires Bayesian principles at the orchestration level of the agentic system, not necessarily the LLM agent parameters. This paper articulates practical properties for Bayesian control that fit modern agentic AI systems and human-AI collaboration, and provides concrete examples and design patterns to illustrate how calibrated beliefs and utility-aware policies can improve agentic AI orchestration.
Authors: Emma Andrews, Nahyeon Kim, Prabhat Mishra
Abstract: Quantum machine learning is a promising field for efficiently learning features of a dataset to perform a specified task, such as classification. Interval bound propagation (IBP) is a popular certified training method in classical machine learning, where the lower and upper bounds are tracked throughout the model. These bounds are used during training to ensure that the model is certified to predict the correct label even under adversarial perturbations. While IBP is successful in classical domain, there are limited certified training efforts in quantum domain. In this paper, we present quantum interval bound propagation (QIBP) to establish a certified training routine for quantum machine learning, certifying the accuracy of models under adversarial perturbations. We implement QIBP using both interval and affine arithmetic to explore the tradeoffs between the two implementations in terms of accuracy and other design considerations. Extensive evaluation demonstrates that the resulting certified trained models have robust decision boundaries, guaranteed to predict the correct class for the samples within the trained adversarial robustness bounds.
Authors: Indraneil Paul, Glava\v{s} Glavas, Iryna Gurevych
Abstract: Reward models (RMs) have become an indispensable fixture of the language model (LM) post-training playbook, enabling policy alignment and test-time scaling. Research on the application of RMs in code generation, however, has been comparatively sparse, with existing work largely focusing on execution feedback. This choice constrains post-training to optimizing functional correctness over self-contained executable code. In this work, we examine the training and evaluation of multilingual, multi-criteria code RMs. To this end, we first compile Themis-CodeRewardBench, a benchmark to evaluate code RMs across five preference dimensions (i.e., criteria) and eight programming languages, on which we profile 50+ code, math, and general-purpose RMs. Observing the limited proficiency of current RMs beyond scoring for functional correctness, we develop Themis-CodePreference, the largest open-source collection of code preferences to date (more than 350k preference pairs), and use it to train Themis-RM, a suite of multilingual code reward models for flexible multi-criteria scoring, ranging in size from 600M to 32B parameters. Our experiments and ablations demonstrate positive scaling trends, strong cross-lingual transfer when training on diverse preferences, and the importance of multi-criteria training for reliable code reward modeling.
Authors: Xihao Chen, Yangyang Guo, Roger Zimmermann
Abstract: Key-Value (KV) cache has become a de facto component of modern Large Vision-Language Models (LVLMs) for inference. While it enhances decoding efficiency in Large Language Models (LLMs), its direct adoption in LVLMs introduces substantial GPU memory overhead due to the large number of vision tokens processed during the prefill stage. To tackle this problem, we propose LightKV, a novel approach that reduces KV cache size by exploiting the redundancy among vision-token embeddings. Guided by text prompts, LightKV employs cross-modality message passing to aggregate informative messages across vision tokens and progressively compress them during prefill. This prompt-aware guidance distinguishes our method from prior vision-only compression strategies. We evaluate LightKV on eight open-source LVLMs across eight public benchmark datasets, e.g., MME and SeedBench. Experimental results demonstrate that with only 55% of the original vision tokens, LightKV (a) halves the vision-token KV cache size, (b) reduces computation by up to 40%, and (c) preserves general-purpose performance while significantly outperforming existing baselines.
Authors: Jinpai Zhao, Nishant Panda, Yen Ting Lin, Eirik Valseth, Diane Oyen, Clint Dawson
Abstract: We introduce HyCOP, a modular framework that learns parametric PDE solution operators by composing simple modules (advection, diffusion, learned closures, boundary handling) in a query-conditioned way. Rather than learning a monolithic map, HyCOP learns a policy over short programs - which module to apply and for how long - conditioned on regime features and state statistics. Modules may be numerical sub-solvers or learned components, enabling hybrid surrogates evaluated at arbitrary query times without autoregressive rollout. Across diverse PDE benchmarks, HyCOP produces interpretable programs, delivers order-of-magnitude OOD improvements over monolithic neural operators, and supports modular transfer through dictionary updates (e.g., boundary swaps, residual enrichment). Our theory characterizes expressivity and gives an error decomposition that separates composition error from module error and doubles as a process-level diagnostic.
Authors: Alejandro Mata Ali, I\~nigo Perez Delgado, Marina Ristol Roura, Aitor Moreno Fdez. de Leceta
Abstract: We present two algorithms to initialize layers of tensorized neural networks and general tensor network algorithms using partial computations of their Frobenius norms and positive lineal entrywise sums, depending on the type of tensor network involved. The core of this method is the use of the norm of subnetworks of the tensor network in an iterative way, so that we normalize by the finite values of the norms that led to the divergence or zero norm. In addition, the method benefits from the reuse of intermediate calculations. We have also applied it to the Matrix Product State/Tensor Train (MPS/TT) and Matrix Product Operator/Tensor Train Matrix (MPO/TT-M) layers and have seen its scaling versus the number of nodes, bond dimension, and physical dimension. All code is publicly available.
Authors: Kiran Lekkala, Henghui Bao, Sumedh A. Sontakke, Erdem Biyik, Laurent Itti
Abstract: Understanding visual inputs for a given task amidst varied changes is a key challenge posed by visual reinforcement learning agents. We propose \textit{Value Explicit Pretraining} (VEP), a method that learns generalizable representations for transfer reinforcement learning. VEP enables efficient learning of new tasks that share similar objectives as previously learned tasks, by learning an encoder that trains representations to be invariant to changes in environment dynamics and appearance. To pretrain the encoder with \textit{suboptimal unlabeled demonstration data} (sequence of observations and sparse reward signals), we use a self-supervised contrastive loss that enables the model to relate states across different tasks based on the Monte Carlo value estimate that is reflective of task progress, resulting in temporally smooth representations that capture the objective of the task. A major difference between our method and the existing approaches is the use of suboptimal unlabeled data that do not always solve the task. Experiments on Ant locomotion, a realistic navigation simulator and the Atari benchmark show that VEP outperforms current SoTA pretraining methods on the ability to generalize to unseen tasks. VEP achieves up to $2\times$ improvement in rewards, and up to $3\times$ improvement in sample efficiency. For videos of VEP policies, visit our \href{https://sites.google.com/view/value-explicit-pretraining/}{website}.
URLs: https://sites.google.com/view/value-explicit-pretraining/
Authors: Jose M. Alvarez, Salvatore Ruggieri
Abstract: Testing for individual discrimination involves deriving a profile, the comparator, similar to the one making the discrimination claim, the complainant, based on a protected attribute, such as race or gender, and comparing their decision outcomes. The complainant-comparator pair is central to discrimination testing. Most discrimination testing tools rely on this pair to establish evidence for discrimination. In this work, we revisit the role of the comparator in discrimination testing. We first argue for the inherent causal modeling nature of deriving the comparator. We then introduce a two-kind classification for the comparator: the ceteris paribus, or "with all else equal," (CP) comparator and the mutatis mutandis, or "with the appropriate adjustments being made," (MM) comparator. The CP comparator is the standard comparator, representing an idealized comparison for establishing discrimination as it aims for a complainant-comparator pair that only differs in membership in the protected attribute. As an alternative to the CP comparator, we define the MM comparator, which requires a comparator that represents the ``what would have been'' of the complainant without the effects of the protected attribute on the non-protected attributes. Under the MM comparator, the complainant-comparator pair can be dissimilar in terms of the non-protected attributes, departing from the idealized comparison imposed by the CP comparator. Notably, the MM comparator denotes a more complex object and its implementation offers an impactful venue for machine learning methods. We illustrate these two comparators and their impact on discrimination testing using a real-world example.
Authors: Simeon Allmendinger, Domenique Zipperling, Lukas Struppek, Niklas K\"uhl
Abstract: In the landscape of generative artificial intelligence, diffusion-based models have emerged as a promising method for generating synthetic images. However, the application of diffusion models poses numerous challenges, particularly concerning data availability, computational requirements, and privacy. Traditional approaches to address these shortcomings, like federated learning, often impose significant computational burdens on individual clients, especially those with constrained resources. In response to these challenges, we introduce the novel approach CollaFuse for distributed collaborative diffusion models inspired by split learning. Our approach facilitates collaborative training of diffusion models while alleviating client computational burdens during image synthesis. This reduced computational burden is achieved by retaining data and computationally inexpensive processes locally at each client while outsourcing the computationally expensive processes to shared, more efficient server resources. Through experiments on the common datasets CelebA, CIFAR-10, and Animals-with-Attributes2, our approach demonstrates enhanced performance while decreasing information disclosure as it reduces the necessity for sharing raw data. These capabilities hold significant potential across various application areas, including the design of edge computing solutions. Thus, our work advances distributed machine learning by contributing to the evolution of collaborative diffusion models.
Authors: Washim Uddin Mondal, Vaneet Aggarwal
Abstract: This paper focuses on learning a Constrained Markov Decision Process (CMDP) via general parameterized policies. We propose a Primal-Dual based Regularized Accelerated Natural Policy Gradient (PDR-ANPG) algorithm that uses entropy and quadratic regularizers to reach this goal. For parameterized policy classes with a transferred compatibility approximation error, $\epsilon_{\mathrm{bias}}$, PDR-ANPG achieves a last-iterate $\epsilon$ optimality gap and $\epsilon$ constraint violation with a sample complexity of $\tilde{\mathcal{O}}(\epsilon^{-2}\min\{\epsilon^{-2},\epsilon_{\mathrm{bias}}^{-\frac{1}{3}}\})$. If the class is incomplete ($\epsilon_{\mathrm{bias}}>0$), then the sample complexity reduces to $\tilde{\mathcal{O}}(\epsilon^{-2})$ for $\epsilon<(\epsilon_{\mathrm{bias}})^{\frac{1}{6}}$. Moreover, for complete policies with $\epsilon_{\mathrm{bias}}=0$, our algorithm achieves a last-iterate $\epsilon$ optimality gap and $\epsilon$ constraint violation with $\tilde{\mathcal{O}}(\epsilon^{-4})$ sample complexity. It is a significant improvement over the state-of-the-art last-iterate guarantees of general parameterized CMDPs.
Authors: Caitlin Ho, Andrea Arnold
Abstract: Incorporating a priori physics knowledge into machine learning leads to more robust and interpretable algorithms. In this work, we combine deep learning techniques and classic numerical methods for differential equations to address two challenging missing physics problems in dynamical systems theory: dynamics discovery and parameter estimation. The presented methods encode available information relating to the system dynamics into deep learning architectures, incorporating different assumptions on the known inputs and desired outputs in each case. Results demonstrate the effectiveness of the proposed approaches in making data-driven model predictions given corrupt system observations on a suite of test problems exhibiting oscillatory and chaotic dynamics. When comparing the performance of various numerical schemes, such as the Runge-Kutta and linear multistep families of methods, we observe promising results in predicting the system dynamics and estimating physical parameters, given appropriate choices of spatial and temporal discretization schemes and numerical method orders.
Authors: Hugo Attali, Davide Buscaldi, Nathalie Pernelle, Fragkiskos D. Malliaros
Abstract: Graph Neural Networks are powerful models for learning from graph-structured data, yet their effectiveness is often limited by two critical challenges: over-squashing, where information from distant nodes is excessively compressed, and over-smoothing, where repeated propagation makes node representations indistinguishable. Both phenomena stem from the interaction between message passing and the input topology, ultimately degrading information flow and limiting the performance of GNNs. In this survey, we examine graph rewiring techniques, a class of methods designed to modify the graph topology to enhance information propagation in GNNs. We provide a comprehensive review of state-of-the-art rewiring approaches, delving into their theoretical underpinnings, practical implementations, and performance trade-offs.
Authors: Yuxin Tian, Mouxing Yang, Yuhao Zhou, Jian Wang, Qing Ye, Tongliang Liu, Gang Niu, Jiancheng Lv
Abstract: Conventioanl federated learning (FL) heavily depends on high-quality labels, which are often impractical in the real world, leading to the federated label-noise (F-LN) problem. Worsely, the F-LN problem is exacerbated by the heterogeneity of FL, whereas clients experience different labelnoise types, ratios, and data distribution. In this study, we first observe an intriguing phenomenon that the global model of FL exhibits a slow memorization of noisy labels, suggesting its ability to maintain reliable predictions and robust representations in FL. Motivated on this, we propose a novel method termed Federated Global Reviser (FedGR), a straightforward yet effective method comprising three modules that collaboratively rectify noisy labels and regularize local training. By exploiting above inherent property, FedGR improve the label-noise robustness of FL in a self-contained manner. Extensive experiments on three widely used F-LN benchmarks demonstrate the superior performance of FedGR, consistently outperforming seven state-of-the-art baselines even in severe label-noise and data heterogeneity. Code will be released as soon as possible.
Authors: Ziyuan Zhang, Darcy Wang, Ningyuan Chen, Rodrigo Mansur, Vahid Sarhangian
Abstract: Large language models (LLMs) are increasingly used to simulate or automate human behavior in complex sequential decision-making settings. A natural question is then whether LLMs exhibit similar decision-making behavior to humans, and can achieve comparable (or superior) performance. In this work, we focus on the exploration-exploitation (E&E) tradeoff, a fundamental aspect of dynamic decision-making under uncertainty. We employ canonical multi-armed bandit (MAB) experiments introduced in the cognitive science and psychiatry literature to conduct a comparative study of the E&E strategies of LLMs, humans, and MAB algorithms. We use interpretable choice models to capture the E&E strategies of the agents and investigate how enabling thinking traces, through both prompting strategies and thinking models, shapes LLM decision-making. We find that enabling thinking in LLMs shifts their behavior toward more human-like behavior, characterized by a mix of random and directed exploration. In a simple stationary setting, thinking-enabled LLMs exhibit similar levels of random and directed exploration compared to humans. However, in more complex, non-stationary environments, LLMs struggle to match human adaptability, particularly in effective directed exploration, despite achieving similar regret in certain scenarios. Our findings highlight both the promise and limits of LLMs as simulators of human behavior and tools for automated decision-making and point to potential areas for improvement.
Authors: James E. Warner, Tristan A. Shah, Patrick E. Leser, Geoffrey F. Bomarito, Joshua D. Pribe, Michael C. Stanley
Abstract: The ability to accurately model random fields plays a critical role in science and engineering for problems involving uncertain, spatially-varying quantities such as heterogeneous material properties and turbulent flows. Deep generative models offer a powerful tool for sampling high- or infinite-dimensional uncertainties like random fields, but their reliance on large, dense training datasets limits their applicability in contexts where sufficient data is difficult or expensive to obtain. In this work, we propose a latent-space approach to generative modeling of random fields that incorporates domain knowledge to supplement limited training data. A constraint-aware variational autoencoder (VAE) with a function decoder is first used to learn compact latent representations of continuous functions that adhere to known physical or statistical constraints, even when training data is sparse or indirect. Generative modeling is then performed in the learned latent space, decoupling constraint enforcement from the sampling process. This decoupling enables expressive multi-step generative methods to be deployed in data-limited settings where existing constrained multi-step approaches are not directly applicable. The richer latent distributions captured by the generative model also overcome limitations of standard VAEs, which rely on simple parametric priors and struggle to represent complex, multimodal, or heavy-tailed distributions over functions. Efficacy is demonstrated on two challenging applications: wind velocity field reconstruction from sparse sensors and material property inference from indirect measurements. Results show the effectiveness of incorporating domain knowledge constraints for data-limited problems and the improved sample quality and robustness of the latent generative modeling approach versus directly sampling a constrained VAE.
Authors: Eli Chien, Wei-Ning Chen, Pan Li
Abstract: Zeroth-order optimization has emerged as a promising approach for fine-tuning large language models under differential privacy (DP) and memory constraints. While privacy amplification by iteration (PABI) provides convergent DP bounds for first-order methods, establishing similar guarantees for zeroth-order methods remains an open problem. First-order PABI analysis relies on the fact that gradients are perturbed with isotropic noise, allowing privacy bounds to be iteratively tracked via shifted R\'enyi divergence. In contrast, DP zeroth-order methods inject scalar noise along random update directions to maintain utility. This anisotropic update fails standard shifted divergence frameworks, as the global Lipschitz property no longer holds almost surely. We provide the first convergent hidden-state DP bound for zeroth-order optimization by proposing a hybrid noise mechanism and a novel coupling analysis. We bypass the purely shifted-divergence approach by constructing a coupled auxiliary process, which circumvents the global Lipschitz barrier and yields a convergent privacy bound. Furthermore, our results induce better DP zeroth-order algorithmic designs that are previously unknown to the literature.
Authors: Kundan Krishna, Joseph Y Cheng, Charles Maalouf, Leon A Gatys
Abstract: Existing paradigms for ensuring AI safety, such as guardrail models and alignment training, often compromise either inference efficiency or development flexibility. We introduce Disentangled Safety Adapters (DSA), a novel framework addressing these challenges by decoupling safety-specific computations from a task-optimized base model. DSA utilizes lightweight adapters that leverage the base model's internal representations, enabling diverse and flexible safety functionalities with minimal impact on inference cost. Empirically, DSA-based safety guardrails substantially outperform comparably sized standalone models across hate speech classification, detecting unsafe model inputs and responses, and hallucination detection with relative improvements of up to 53% in AUC. Furthermore, DSA-based safety alignment allows dynamic, inference-time adjustment of alignment strength and a fine-grained trade-off between instruction following performance and model safety. Importantly, combining the DSA safety guardrail with DSA safety alignment facilitates context-dependent alignment strength, boosting safety on StrongREJECT by 93% while maintaining 98% performance on MTBench - a total reduction in alignment tax of 8 percentage points compared to standard safety alignment fine-tuning. Overall, DSA presents a promising path towards more modular, efficient, and adaptable AI safety and alignment.
Authors: Saeed Mohseni-Sehdeh, Walid Saad, Kei Sakaguchi, Tao Yu
Abstract: Diffusion models are powerful tools for sampling from high-dimensional distributions by progressively transforming pure noise into structured data through a denoising process. When equipped with a guidance mechanism, these models can also generate samples from conditional distributions. In this paper, a novel diffusion-based framework is introduced for solving inverse problems using a piecewise guidance scheme. The guidance term is defined as a piecewise function of the diffusion timestep, facilitating the use of different approximations during high-noise and low-noise phases. This design is shown to effectively balance computational efficiency with the accuracy of the guidance term. Unlike task-specific approaches that require retraining for each problem, the proposed method is problem-agnostic and readily adaptable to a variety of inverse problems. Additionally, it explicitly incorporates measurement noise into the reconstruction process. The effectiveness of the proposed framework is demonstrated through extensive experiments on image restoration tasks, specifically image inpainting and super-resolution. Using a class conditional diffusion model for recovery, compared to the \blue{pseudoinverse-guided diffusion model (\textrm{\(\Pi\)}GDM) baseline}, the proposed framework achieves a reduction in inference time of \(25\%\) for inpainting with both random and center masks, and \(23\%\) and \(24\%\) for \(4\times\) and \(8\times\) super-resolution tasks, respectively, while incurring only negligible loss in PSNR and SSIM.
Authors: Zhaomin Wu, Mingzhe Du, See-Kiong Ng, Bingsheng He
Abstract: Large Language Models (LLMs) are widely deployed in reasoning, planning, and decision-making tasks, making their trustworthiness critical. A significant and underexplored risk is intentional deception, where an LLM deliberately fabricates or conceals information to serve a hidden objective. Existing studies typically induce deception by explicitly setting a hidden objective through prompting or fine-tuning, which may not reflect real-world human-LLM interactions. Moving beyond such human-induced deception, we investigate LLMs' self-initiated deception on benign prompts. To address the absence of ground truth, we propose a framework based on Contact Searching Questions (CSQ). This framework introduces two statistical metrics derived from psychological principles to quantify the likelihood of deception. The first, the Deceptive Intention Score, measures the model's bias toward a hidden objective. The second, the Deceptive Behavior Score, measures the inconsistency between the LLM's internal belief and its expressed output. Evaluating 16 leading LLMs, we find that both metrics rise in parallel and escalate with task difficulty for most models. Moreover, increasing model capacity does not always reduce deception, posing a significant challenge for future LLM development.
Authors: Haotian Xu, Tsui-Wei Weng, Lam M. Nguyen, Tengfei Ma
Abstract: Concept Bottleneck Models (CBMs) provide explicit interpretations for deep neural networks through concepts and allow intervention with concepts to adjust final predictions. Existing CBMs assume concepts are conditionally independent given labels and isolated from each other, ignoring the hidden relationships among concepts. However, the set of concepts in CBMs often has an intrinsic structure where concepts are generally correlated: changing one concept will inherently impact its related concepts. To mitigate this limitation, we propose GraphCBMs: a new variant of CBM that facilitates concept relationships by constructing latent concept graphs, which can be combined with CBMs to enhance model performance while retaining their interpretability. Our experiment results on real-world image classification tasks demonstrate Graph CBMs offer the following benefits: (1) superior in image classification tasks while providing more concept structure information for interpretability; (2) able to utilize latent concept graphs for more effective interventions; and (3) robust in performance across different training and architecture settings.
Authors: Ming-I Huang, Chih-Duo Hong, Fang Yu
Abstract: This paper introduces PyFair, a formal framework for evaluating and verifying individual fairness of Deep Neural Networks (DNNs). By adapting the concolic testing tool PyCT, we generate fairness-specific path constraints to systematically explore DNN behaviors. Our key innovation is a dual network architecture that enables comprehensive fairness assessments and provides completeness guarantees for certain network types. We evaluate PyFair on 25 benchmark models, including those enhanced by existing bias mitigation techniques. Results demonstrate PyFair's efficacy in detecting discriminatory instances and verifying fairness, while also revealing scalability challenges for complex models. This work advances algorithmic fairness in critical domains by offering a rigorous, systematic method for fairness testing and verification of pre-trained DNNs.
Authors: Xi He
Abstract: The study of optimal decision trees has gained increasing attention in recent years; however, despite substantial progress, it still suffers from two major challenges: First, trees constructed by existing optimal decision tree (ODT) algorithms have limited expressivity, as they are typically restricted to axis-parallel splits or binary features. Second, these algorithms generally do not scale well to large datasets. These two challenges are intertwined: decision trees with more expressive splitting rules incur significantly higher combinatorial complexity, making the ODT problem even more difficult to solve when using complex splits. Building on He and Little's proper decision tree framework, we propose the first algorithm for solving the optimal hypersurface decision tree problem with time complexity $O\left(K!\times N^{DG+G}\right)$, where $G$ is a variable depends on both $K$ (tree size), $M$ (polynomial degree of hypersurface) and $D$ (data dimension). To the best of our knowledge, no known algorithm is capable of producing decision trees with hypersurface splits. Moreover, the proposed algorithm is inherently amenable to vectorization, enabling efficient parallelization. Its generic design pattern also allows it to be used to accelerate other ODT variants, such as axis-parallel decision trees. Furthermore, we identify an effective pruning strategy for the optimal hypersurface decision tree problem, which enables our algorithm to run significantly faster than the worst-case upper bound, together with an incremental procedure that reduces the cost of checking the feasibility of a single configuration from quadratic to linear time.
Authors: Zihan Zhou, Chenguang Wang, Hongyi Ye, Yongtao Guan, Tianshu Yu
Abstract: Learning physical dynamics from data is a fundamental challenge in machine learning and scientific modeling. Real-world observational data are inherently incomplete and irregularly sampled, posing significant challenges for existing data-driven approaches. In this work, we propose a principled diffusion-based framework for learning physical systems from incomplete training samples. To this end, our method strategically partitions each such sample into observed context and unobserved query components through a carefully designed splitting strategy, then trains a conditional diffusion model to reconstruct the missing query portions given available contexts. This formulation enables accurate imputation across arbitrary observation patterns without requiring complete data supervision. Specifically, we provide theoretical analysis demonstrating that our diffusion training paradigm on incomplete data achieves asymptotic convergence to the true complete generative process under mild regularity conditions. Empirically, we show that our method significantly outperforms existing baselines on synthetic and real-world physical dynamics benchmarks, including fluid flows and weather systems, with particularly strong performance in limited and irregular observation regimes. These results demonstrate the effectiveness of our theoretically principled approach for learning and imputing partially observed dynamics.
Authors: Joshua Mitton, Prarthana Bhattacharyya, Ralph Abboud, Simon Woodhead
Abstract: Research on Knowledge Tracing (KT) models traditionally focuses on improving predictive accuracy. However, responsible real-world deployment requires models to know when to defer uncertain predictions to a human teacher. We introduce an intrinsic selective prediction layer for existing KT models using Monte Carlo Dropout (MC-Dropout) to quantify uncertainty. We evaluate this approach across three architectures (DKT, SAKT, and AKT) using the Eedi mathematics dataset. Abstaining on the 20\% most uncertain predictions lifts accuracy by 2.3 to 3.0 percentage points, AUC by 1.9 to 2.4 percentage points and F1 by 1.4 to 4.3 percentage points without any retraining. This abstention strategy is highly targeted: the deferred set exhibits 1.45 to 1.60 times the error rate of the kept set. Furthermore, this targeting holds within every question-difficulty quartile and remains fair across student-ability levels. Importantly, MC-Dropout variance gives roughly five times the AUC lift of a calibrated two-parameter logistic (2PL) Item Response Theory (IRT) baseline as a selective-prediction signal. A variance decomposition of the model's epistemic uncertainty (BALD) reveals that the entire classical psychometric stack, comprising question difficulty, student ability, IRT-style outcome ambiguity, and historical curriculum coverage, explains less than 4\% of the signal under linear modeling and at most 23\% even with a non-linear regressor. This leaves 77\% to 90\% as architecture-specific epistemic content that MC-Dropout surfaces and simpler proxies cannot recover. Selective prediction with model-native epistemic uncertainty is therefore a necessary component of responsible KT deployment, complementary to subgroup-fairness audits and downstream classroom evaluation rather than a substitute for them.
Authors: Zhaomin Wu, Haodong Zhao, Ziyang Wang, Jizhou Guo, Qian Wang, Bingsheng He
Abstract: The explosive growth of large language models (LLMs) has created a vast but opaque landscape: millions of models exist, yet their evolutionary relationships through fine-tuning, distillation, or adaptation are often undocumented or unclear, complicating LLM management. Existing methods are limited by task specificity, fixed model sets, or strict assumptions about tokenizers or architectures. Inspired by biological DNA, we address these limitations by mathematically defining LLM DNA as a low-dimensional, bi-Lipschitz representation of functional behavior. We prove that LLM DNA satisfies inheritance and genetic determinism properties and establish the existence of DNA. Building on this theory, we derive a general, scalable, training-free pipeline for DNA extraction. In experiments across 305 LLMs, DNA aligns with prior studies on limited subsets and achieves superior or competitive performance on specific tasks. Beyond these tasks, DNA comparisons uncover previously undocumented relationships among LLMs. We further construct the evolutionary tree of LLMs using phylogenetic algorithms, which align with shifts from encoder-decoder to decoder-only architectures, reflect temporal progression, and reveal distinct evolutionary speeds across LLM families.
Authors: Siva Viknesh, Amirhossein Arzani
Abstract: Scientific machine learning has enabled the extraction of physical insights and data-driven modeling of high-dimensional spatiotemporal data, yet achieving physically interpretable latent representations and computationally efficient surrogates remains an open challenge. We propose the DIfferentiable Autoencoding Neural Operator - DIANO, an autoencoding neural operator framework that constructs visualizable coarse-grid latent spaces for both dimensionality and geometric reduction across varying spatial discretizations, with governing equations enforced directly within the latent space. Built upon neural operators, DIANO achieves this through an encoding neural operator that spatially coarsens the high-dimensional input functions into the latent representation, and a decoding neural operator that reconstructs the original inputs via spatial refinement. We assess DIANO's latent representation and performance against baselines, including the Convolutional Neural Operator and standard autoencoders. Furthermore, a fully differentiable partial differential equation (PDE) solver is integrated as the sole input-output functional mapping operator within the latent space, enabling end-to-end training with governing physics prescribed a priori through parametric PDEs. Various PDE formulations are investigated, including the 2D unsteady advection-diffusion and the 3D Pressure--Poisson equation, revealing that the fidelity of the embedded PDE relative to the true physics governs the learned latent representation and reconstruction accuracy. Benchmark problems include flow past a 2D cylinder, flow through a 2D symmetric stenosed artery, and a 3D patient-specific coronary artery, showing accurate reconstruction of high-fidelity spatio-temporal fields through low-fidelity latent PDE evolution at reduced computational cost, while yielding coherent, spatially organized, and meaningful latent structures.
Authors: Ali Azizpour, Madeline Navarro, Santiago Segarra
Abstract: We propose an adaptive node feature selection approach for graph neural networks (GNNs) that identifies and removes unnecessary features during training. The ability to measure how features contribute to model output is key for interpreting decisions and reducing dimensionality by eliminating unhelpful variables. However, graph-structured data introduces complex dependencies that may be unsuited to classical feature importance metrics. Inspired by this, we present a data-, model-, and task-agnostic method that determines relevant features during training based on changes in validation performance upon permuting feature values. We theoretically motivate our approach by characterizing how the relationships between node data and graph structure influences GNN performance. Empirically, we show that (i) our highly general approach rivals the performance of tailored feature selection approaches that exploit prior assumptions; (ii) we return meaningful feature importance scores well before the GNN is fully trained; and (iii) our scores demonstrably extract relevant properties that inform feature importance for various graph learning settings.
Authors: Xinshuai Dong, Ignavier Ng, Haoyue Dai, Jiaqi Sun, Xiangchen Song, Peter Spirtes, Kun Zhang
Abstract: Identifying the structure of a partially observed causal system is essential to various scientific fields. Recent advances have focused on constraint-based causal discovery to solve this problem, and yet in practice these methods often face challenges related to multiple testing and error propagation. These issues could be mitigated by a score-based method and thus it has raised great attention whether there exists a score-based greedy search method that can handle the partially observed scenario. In this work, we propose the first score-based greedy search method for the identification of structure involving latent variables with identifiability guarantees. Specifically, we propose Generalized N Factor Model and establish the global consistency: the true structure including latent variables can be identified up to the Markov equivalence class by using score. We then design Latent variable Greedy Equivalence Search (LGES), a greedy search algorithm for this class of model with well-defined operators, which search very efficiently over the graph space to find the optimal structure. Our experiments on both synthetic and real-life data validate the effectiveness of our method (code will be publicly available).
Authors: Murtaza Rangwala, Farag Azzedin, Richard O. Sinnott, Rajkumar Buyya
Abstract: Decentralized Federated Learning (DFL) enables privacy-preserving collaborative training without centralized servers but remains vulnerable to Byzantine attacks. Existing Byzantine-robust defenses are predicated on exchanging full, high-dimensional model vectors with every neighbor before filtering, an $O(d|\mathcal{N}_i|)$ communication cost incurred regardless of how many neighbors are ultimately rejected. This design choice is sustainable in small-scale experimental settings but becomes a fundamental barrier to deployment as network scale or model size grows. We propose SketchGuard, a framework that decouples Byzantine filtering from aggregation via sketch-based screening. Each client compresses its $d$-dimensional model to a $k$-dimensional Count Sketch ($k \ll d$), exchanges only sketches for neighbor screening, and fetches full models exclusively from accepted neighbors. This eliminates the pre-filtering communication waste of existing defenses: rejected Byzantine neighbors incur only $O(k)$ sketch cost rather than $O(d)$ full-model cost. Communication savings therefore scale with the Byzantine rejection rate: negligible extra overhead in benign conditions, rising to 50-70% total savings when 50-70% of neighbors are rejected. We prove convergence in both strongly convex and non-convex settings, establishing that Count Sketch's distance-preservation guarantee causes sketch-based filtering to deviate from full-precision filtering by at most a $(1+O(\epsilon))$ factor in the effective threshold, a gap that can be made arbitrarily small. Experiments across three non-IID federated benchmarks, five network topologies, and four attack types confirm that SketchGuard matches state-of-the-art robustness (mean TER deviation $\leq$0.5 percentage points) while reducing computation by up to 82%, with robustness remaining stable across compression ratios up to 13,000:1.
Authors: Lorenzo Nikiforos, Luciano Prono, Charalampos Antoniadis, Fabio Pareschi, Riccardo Rovatti, Gianluca Setti
Abstract: The increasing scale of Deep Neural Networks (DNNs) introduces the need for compression techniques such as pruning, quantization, and low-rank decomposition. While these methods are very effective at reducing memory, computation, and energy consumption, they may introduce severe accuracy degradation, which is often mitigated by using iterative, gradual compression. However, different compression techniques require distinct iterative approaches, and some result in unstable, discontinuous model fine-tuning. We introduce Vanishing Contributions (VCON), a unified framework for the smooth, iterative transition of DNNs into a compressed form. Rather than replacing the original network directly with its compressed version, VCON executes both in parallel during fine-tuning. The contribution of the original (uncompressed) model is progressively reduced, while that of the compressed model is gradually increased. This affine combination allows the network to slowly adapt, improving stability and mitigating accuracy degradation. We evaluate VCON on computer vision and natural language processing benchmarks, using multiple compression strategies. In most settings, our framework improves accuracy over post-shot and iterative baselines. Typical gains exceed 1%, while some configuration exhibits improvements above 15%. VCON is thus compatible with existing compression techniques and consistently improves performance across diverse tasks.
Authors: Qingyao Ai, Yichen Tang, Changyue Wang, Jianming Long, Weihang Su, Yiqun Liu
Abstract: Scaling up data, parameters, and test-time computation has been the mainstream methods to improve LLM systems (LLMsys), but their upper bounds are almost reached due to the gradual depletion of high-quality data and marginal gains obtained from larger computational resource consumption. Inspired by the abilities of human and traditional AI systems in learning from practice, constructing memory and continual learning frameworks for LLMsys has become an important and popular research direction in recent literature. Yet, existing benchmarks for LLM memory often focus on evaluating the system on homogeneous reading comprehension tasks with long-form inputs rather than testing their abilities to learn from accumulated user feedback in service time. Therefore, we propose a user feedback simulation framework and a comprehensive benchmark covering multiple domains, languages, and types of tasks to evaluate the continual learning abilities of LLMsys. Experiments show that the effectiveness and efficiency of state-of-the-art baselines are far from satisfying, and we hope this benchmark could pave the way for future studies on LLM memory and optimization algorithms.
Authors: Jingxin Zhan, Yuze Han, Zhihua Zhang
Abstract: The convergence analysis of online learning algorithms is central to machine learning theory, where the last-iterate convergence is particularly important, as it captures the learner's actual decisions and describes the evolution of the learning process over time. However, in multi-armed bandits, most existing algorithmic analyses mainly focus on the order of regret, while the last-iterate (simple regret) convergence rate remains less explored -- especially for the widely studied Follow-the-Regularized-Leader (FTRL) algorithms. Recently, FTRL with the $1/2$-Tsallis entropy regularizer $\Psi(p) = -4\sum_{i=1}^d \sqrt{p_i}$ (the $1/2$-Tsallis-INF algorithm, by arXiv:1807.07623) was shown to achieve logarithmic regret in stochastic bandits. Nevertheless, its last-iterate convergence rate has not yet been studied. Intuitively, logarithmic regret should correspond to a $t^{-1}$ last-iterate convergence rate. This paper studies the $1/2$-Tsallis-INF algorithm and partially confirms this intuition through theoretical analysis, showing that the Bregman divergence, defined by $\Psi(p)$, between the point mass on the optimal arm and the probability distribution over the arm set obtained at iteration $t$, decays at a rate of $t^{-1/2}$.
Authors: Arthur Chen, Victor Zhong
Abstract: We introduce and formalize the Synthetic Dataset Quality Estimation (SynQuE) problem: ranking synthetic datasets by their expected real-world task performance using only limited unannotated real data. This addresses a critical and open challenge where data is scarce due to collection costs or privacy constraints. We establish the first comprehensive benchmarks for this problem by introducing and evaluating proxy metrics that choose synthetic data for training to maximize task performance on real data. We introduce the first proxy metrics for SynQuE by adapting distribution and diversity-based distance measures to our context via embedding models. To address the shortcomings of these metrics on complex planning tasks, we propose LENS, a novel proxy that leverages large language model reasoning. Our results show that SynQuE proxies correlate with real task performance across diverse tasks, including sentiment analysis, Text2SQL, web navigation, and image classification, with LENS consistently outperforming others on complex tasks by capturing nuanced characteristics. For instance, on text-to-SQL parsing, training on the top-3 synthetic datasets selected via SynQuE proxies can raise accuracy from 30.4% to 38.4 (+8.1)% on average compared to selecting data indiscriminately. This work establishes SynQuE as a practical framework for synthetic data selection under real-data scarcity and motivates future research on foundation model-based data characterization and fine-grained data selection. We release our code.
Authors: Gaoxiang Zhao, Ruinan Qiu, Pengpeng Zhao, Rongjin Wang, Xiaoting Wang, Zhangang Lin, Xiaoqiang Wang
Abstract: Real-Time Auction (RTA) Interception aims to filter out invalid or irrelevant traffic to enhance the integrity and reliability of downstream data. However, two key challenges remain: (i) the need for accurate estimation of traffic quality together with sufficiently high confidence in the model's predictions, typically addressed through uncertainty modeling, and (ii) the efficiency bottlenecks that such uncertainty modeling introduces in real-time applications due to repeated inference. To address these challenges, we first provide a theoretical analysis of the intrinsic mechanism underlying uncertainty estimation. Building on this analysis, we propose a joint modeling framework that integrates multi-objective learning with uncertainty modeling, named UMDA, which yields both traffic quality predictions and reliable confidence estimates. We further apply knowledge distillation to UMDA, enabling the model to produce both aleatoric and epistemic uncertainties in a single forward pass, thereby substantially reducing the computational overhead of uncertainty modeling, while largely preserving predictive accuracy and retaining the benefits of multiple-forward-pass uncertainty estimation. Experiments on the JD and Criteo datasets demonstrate that UMDA provides more effective samples for downstream tasks through uncertainty sharing, and the distilled model retains the original uncertainty-sharing capability while delivering a tenfold increase in inference speed.
Authors: Haotian Xu, Yuning You, Tengfei Ma
Abstract: Graphs provide a unified representation of semantic content and relational structure, making them a natural fit for domains such as molecular modeling, citation networks, and social graphs. Meanwhile, large language models (LLMs) have excelled at understanding natural language and integrating cross-modal signals, sparking interest in their potential for graph reasoning. Recent work has explored this by either designing template-based graph templates or using graph neural networks (GNNs) to encode structural information. In this study, we investigate how different strategies for encoding graph structure affect LLM performance on text-attributed graphs. Surprisingly, our systematic experiments reveal that: (i) LLMs leveraging only node textual descriptions already achieve strong performance across tasks; and (ii) most structural encoding strategies offer marginal or even negative gains. We show that explicit structural priors are often unnecessary and, in some cases, counterproductive when powerful language models are involved. This represents a significant departure from traditional graph learning paradigms and highlights the need to rethink how structure should be represented and utilized in the LLM era. Our study is to systematically challenge the foundational assumption that structure is inherently beneficial for LLM-based graph reasoning, opening the door to new, semantics-driven approaches for graph learning.
Authors: Tianwei Ni, Esther Derman, Vineet Jain, Vincent Taboga, Siamak Ravanbakhsh, Pierre-Luc Bacon
Abstract: Popular offline reinforcement learning (RL) methods rely on explicit conservatism, penalizing out-of-dataset actions or restricting rollout horizons. We question the universality of this principle and revisit a complementary Bayesian perspective for test-time adaptation. By modeling a posterior over world models and training a history-dependent agent to maximize expected return, the Bayesian approach directly addresses epistemic uncertainty without explicit conservatism. We first illustrate in a bandit setting that Bayesianism excels on low-quality datasets where conservatism fails. Scaling to realistic tasks, we find that long-horizon rollouts are essential to control value overestimation once conservatism is removed. We introduce design choices that enable learning from long-horizon rollouts while mitigating compounding model errors, yielding our algorithm, NEUBAY, grounded in the neutral Bayesian principle. On D4RL and NeoRL benchmarks, NEUBAY is competitive with leading conservative algorithms, achieving new state-of-the-art on 7 datasets with rollout horizons of several hundred steps. Finally, we characterize datasets by quality and coverage to identify when NEUBAY is preferable to conservative methods.
Authors: Baris Yilmaz, Bevan Deniz Cilgin, Erdem Akag\"und\"uz, Salih Tileylioglu
Abstract: Effective earthquake risk reduction relies on accurate site-specific evaluations, which require models capable of representing the influence of local site conditions on ground motion characteristics. We address strong ground motion generation from time-domain accelerometer records and introduce the TimesNet-Gen, a deep generative framework. In this framework, site-specific generation is directly achieved through a station-restricted, Dirichlet-based latent space resampling strategy, without relying on explicit conditioning inputs or dimensionality reduction. Pre-trained on the AFAD dataset via self-supervised learning, the frozen model demonstrates robust cross-regional generalization by successfully generating station-specific NGA-West2 records without any fine-tuning. Model performance is evaluated by comparing the distributions of generated and real records in the log-HVSR space, alongside the joint analysis of peak ground acceleration and fundamental site frequency. As a baseline, we construct a spectrogram-based conditional variational autoencoder (CVAE) explicitly formulated for station-specific latent space modeling. The results show strong station-wise alignment, consistent cross-regional ground motion synthesis, and a favorable comparison with a spectrogram-based conditional variational autoencoder baseline, demonstrating that the model empirically maintains the essential physical coupling between frequency content and peak amplitude. Our codes are available via https://github.com/brsylmz23/TimesNet-Gen.
Authors: Haotian Xu, Jiannan Yang, Tian Gao, Tsui-Wei Weng, Tengfei Ma
Abstract: Activation sparsity offers a compelling route to accelerate large language model (LLM) inference by selectively suppressing hidden activations, yet existing approaches exhibit severe accuracy degradation at high sparsity. We show that this failure stems from representational instability: *activation sparsity disrupts input-dependent activation learned during pretraining, inducing distribution shifts in hidden states.* We address this issue by reframing activation sparsity as a representational alignment problem and introducing **Spontaneous Neurons (SPON)**, a lightweight mechanism inspired by spontaneous neural activity in biological systems. SPON injects a small set of learnable, input-independent activation vectors that act as persistent representational anchors for sparse computation. These vectors are trained via distribution matching to the dense model and can be absorbed into bias terms after training, incurring negligible inference overhead. Across multiple LLM backbones, SPON consistently restores performance, stabilizes latent representations, and preserves generalization. Our results establish SPON as an effective and principled solution for reliable activation-sparse inference, and offer new insights into knowledge retention in LLMs.
Authors: Nima Dehmamy, Benjamin Hoover, Bishwajit Saha, Leo Kozachkov, Jean-Jacques Slotine, Dmitry Krotov
Abstract: Generative Pre-trained Transformer (GPT) architectures are the most popular design for language modeling. Energy-based modeling is a different paradigm that views inference as a dynamical process operating on an energy landscape. We propose a minimal modification of the GPT setting to unify it with the EBM framework. The inference step of our model, which we call eNeRgy-GPT (NRGPT), is conceptualized as an exploration of the tokens on the energy landscape. We prove, and verify empirically, that under certain circumstances this exploration becomes gradient descent, although they don't necessarily lead to the best performing models. We demonstrate that our model performs well for simple language (Shakespeare dataset), algebraic ListOPS tasks, and richer settings such as OpenWebText language modeling. We also observe that our models may be more resistant to overfitting, doing so only during very long training.
Authors: Alexey Yermakov, Yue Zhao, Marine Denolle, Yiyu Ni, Philippe M. Wyder, Judah Goldfeder, Stefano Riva, Jan Williams, David Zoro, Amy Sara Rude, Matteo Tomasetto, Joe Germany, Joseph Bakarji, Georg Maierhofer, Miles Cranmer, J. Nathan Kutz
Abstract: Seismology faces fundamental challenges in state forecasting and reconstruction (e.g., earthquake early warning and ground motion prediction) and managing the parametric variability of source locations, mechanisms, and Earth models (e.g., subsurface structure and topography effects). Addressing these with simulations is hindered by their massive scale, both in synthetic data volumes and numerical complexity, while real-data efforts are constrained by models that inadequately reflect the Earth's complexity and by sparse sensor measurements from the field. Recent machine learning (ML) efforts offer promise, but progress is obscured by a lack of proper characterization, fair reporting, and rigorous comparisons. To address this, we introduce a Common Task Framework (CTF) for ML for seismic wavefields, demonstrated here on three distinct wavefield datasets. Our CTF features a curated set of datasets at various scales (global, crustal, and local) and task-specific metrics spanning forecasting, reconstruction, and generalization under realistic constraints such as noise and limited data. Inspired by CTFs in fields like natural language processing, this framework provides a structured and rigorous foundation for head-to-head algorithm evaluation. We evaluate various methods for reconstructing seismic wavefields from sparse sensor measurements, with results illustrating the CTF's utility in revealing strengths, limitations, and suitability for specific problem classes. Our vision is to replace ad hoc comparisons with standardized evaluations on hidden test sets, raising the bar for rigor and reproducibility in scientific ML.
Authors: Bryon Tjanaka, Henry Chen, Matthew C. Fontaine, Stefanos Nikolaidis
Abstract: Quality diversity (QD) optimization searches for a collection of solutions that optimize an objective while attaining diverse outputs of a user-specified, vector-valued measure function. Contemporary QD algorithms are typically limited to low-dimensional measures because high-dimensional measures are prone to distortion, where many solutions found by the QD algorithm map to similar measures. For example, the state-of-the-art CMA-MAE algorithm guides measure space exploration with a histogram in measure space that records so-called discount values. However, CMA-MAE stagnates in domains with high-dimensional measure spaces because solutions with similar measures fall into the same histogram cell and hence receive the same discount value. To address these limitations, we propose Discount Model Search (DMS), which guides exploration with a model that provides a smooth, continuous representation of discount values. In high-dimensional measure spaces, this model enables DMS to distinguish between solutions with similar measures and thus continue exploration. We show that DMS facilitates new capabilities for QD algorithms by introducing two new domains where the measure space is the high-dimensional space of images, which enables users to specify their desired measures by providing a dataset of images rather than hand-designing the measure function. Results in these domains and on high-dimensional benchmarks show that DMS outperforms CMA-MAE and other existing black-box QD algorithms.
Authors: Luca Zhou, Bo Zhao, Rose Yu, Emanuele Rodol\`a
Abstract: Model merging combines knowledge from separately fine-tuned models, yet the factors driving its success remain poorly understood. While recent work treats mergeability as an intrinsic property of the models, we show with an architecture-agnostic framework that it fundamentally depends on both the merging method and the partner tasks. Using L1-regularized linear optimization over a set of interpretable pairwise metrics (e.g., gradient $L_2$ distance), we uncover properties correlating with post-merge normalized accuracy across five merging methods. We find architecture- and method-specific variation in success drivers (64.0% average top-5 metric overlap; 79.3% sign agreement), with certain methods, notably TIES, exhibiting distinct ``fingerprints'' that diverge from the broader consensus. Crucially, however, \textit{gradient alignment} metrics consistently emerge as the most fundamental signals of compatibility. These findings provide a diagnostic foundation for understanding mergeability and motivate future merge-aware fine-tuning strategies.
Authors: Markus Mueller, Kathrin Gruber, Dennis Fok
Abstract: Advances in generative modeling have recently been adapted to tabular data containing discrete and continuous features. However, generating mixed-type features that combine discrete states with an otherwise continuous distribution in a single feature remains challenging. We advance the state-of-the-art in diffusion models for tabular data with a cascaded approach. We first generate a low-resolution version of a tabular data row, that is, the collection of the purely categorical features and a coarse categorical representation of numerical features. Next, this information is leveraged in the high-resolution flow matching model via a novel guided conditional probability path and data-dependent coupling. The low-resolution representation of numerical features explicitly accounts for discrete outcomes, such as missing or inflated values, and therewith enables a more faithful generation of mixed-type features. We formally prove that this cascade tightens the transport cost bound. The results indicate that our model generates significantly more realistic samples and captures distributional details more accurately, for example, the detection score improves by 51.9\%. Code is available at https://github.com/muellermarkus/tabcascade.
Authors: Yuanteng Chen, Peisong Wang, Nanxin Zeng, Yuantian Shao, Shuang Qiu, Gang Li, Jing Liu, Jian Cheng
Abstract: Test-time scaling improves LLM performance by generating multiple candidate solutions, yet token-level sampling requires temperature tuning that trades off diversity against stability. Fine-grained MoE, featuring hundreds of well-trained experts per layer and multi-expert activation per token, offers an unexplored alternative through its rich routing space. We empirically characterize fine-grained MoE routing and uncover an informative pattern: router scores exhibit a certain head of high-confidence experts followed by an uncertain tail of low-confidence candidates. While single-run greedy accuracy remains stable when fewer experts are activated, multi-sample pass@n degrades significantly-suggesting that the certain head governs core reasoning capability while the uncertain tail correlates with reasoning diversity. Motivated by these findings, we propose Expert-Sample, a training-free method that preserves high-confidence selections while injecting controlled stochasticity into the uncertain tail, enabling diverse generation without destabilizing outputs. Evaluated on multiple fine-grained MoE models across math, knowledge reasoning, and code tasks, Expert-Sample consistently improves pass@n and verification-based accuracy. On Qwen3-30B-A3B-Instruct evaluated on GPQA-Diamond with 32 parallel samples, pass@32 rises from 85.4% to 91.9%, and accuracy improves from 59.1% to 62.6% with Best-of-N verification.
Authors: Hicham Eddoubi, Umar Faruk Abdullahi, Fadi Hassan
Abstract: Large Language Models (LLMs) have seen widespread adoption across multiple domains, creating an urgent need for robust safety alignment mechanisms. However, robustness remains challenging due to jailbreak attacks that bypass alignment via adversarial prompts. In this work, we focus on the prevalent Greedy Coordinate Gradient (GCG) attack and identify a previously underexplored attack axis in jailbreak attacks typically framed as suffix-based: the placement of adversarial tokens within the prompt. Using GCG as a case study, we show that both optimizing attacks to generate prefixes instead of suffixes and varying adversarial token position during evaluation substantially influence attack success rates. Our findings highlight a critical blind spot in current safety evaluations and underline the need to account for the position of adversarial tokens in the adversarial robustness evaluation of LLMs.
Authors: Dongyeop Woo, Marta Skreta, Seonghyun Park, Kirill Neklyudov, Sungsoo Ahn
Abstract: Diffusion and flow models have become the dominant paradigm for generative modeling on Riemannian manifolds, with successful applications in protein backbone generation and DNA sequence design. However, these methods require tens to hundreds of neural network evaluations at inference time, which can become a computational bottleneck in large-scale scientific sampling workflows. We introduce Riemannian MeanFlow~(RMF), a framework for learning flow maps directly on manifolds, enabling high-quality generations with as few as one forward pass. We derive three equivalent characterizations of the manifold average velocity (Eulerian, Lagrangian, and semigroup identities), and analyze parameterizations and stabilization techniques to improve training on high-dimensional manifolds. In promoter DNA design and protein backbone generation settings, RMF achieves comparable sample quality to prior methods while requiring up to 10$\times$ fewer function evaluations. Finally, we show that few-step flow maps enable efficient reward-guided design through reward look-ahead, where terminal states can be predicted from intermediate steps at minimal additional cost.
Authors: Amith Bhat, Haipeng Luo, Aadirupa Saha
Abstract: We study $K$-armed Multiarmed Bandit (MAB) problem with $M$ heterogeneous data sources, each exhibiting unknown and distinct noise variances $\{\sigma_j^2\}_{j=1}^M$. The learner's objective is standard MAB regret minimization, with the additional complexity of adaptively selecting which data source to query from at each round. We propose Source-Optimistic Adaptive Regret minimization (SOAR), a novel algorithm that quickly prunes high-variance sources using sharp variance-concentration bounds, followed by a `balanced min-max LCB-UCB approach' that seamlessly integrates the parallel tasks of identifying the best arm and the optimal (minimum-variance) data source. Our analysis shows SOAR achieves an instance-dependent regret bound of $\tilde{O}\left({\sigma^*}^2\sum_{i=2}^K \frac{\log T}{\Delta_i} + \sqrt{K \sum_{j=1}^M \sigma_j^2}\right)$, up to preprocessing costs depending only on problem parameters, where ${\sigma^*}^2 := \min_j \sigma_j^2$ is the minimum source variance and $\Delta_i$ denotes the suboptimality gap of the $i$-th arm. This result is both surprising as despite lacking prior knowledge of the minimum-variance source among $M$ alternatives, SOAR attains the optimal instance-dependent regret of standard single-source MAB with variance ${\sigma^*}^2$, while incurring only an small (and unavoidable) additive cost of $\tilde O(\sqrt{K \sum_{j=1}^M \sigma_j^2})$ towards the optimal (minimum variance) source identification. Our theoretical bounds represent a significant improvement over some proposed baselines, e.g. Uniform UCB or Explore-then-Commit UCB, which could potentially suffer regret scaling with $\sigma_{\max}^2$ in place of ${\sigma^*}^2$-a gap that can be arbitrarily large when $\sigma_{\max} \gg \sigma^*$. Experiments on multiple synthetic problem instances and the real-world MovieLens\;25M dataset, demonstrating the superior performance of SOAR over the baselines.
Authors: Xiuying Wei, Caglar Gulcehre
Abstract: Structured dilated attention has an appealing inference-time efficiency knob: it reduces the FLOPs of attention and the KV cache size by a factor of the dilation size D, while preserving long-range connectivity. While prior work studies it by training each configuration from scratch, directly sparsifying a pretrained attention model into a dilated pattern leads to severe accuracy degradation, preventing flexible reuse across inference scenarios. We introduce RAT+, a dense-pretraining architecture that augments attention with full-sequence recurrence and active recurrence learning. A single RAT+ model is pretrained densely once and can then be flexibly switched at inference time to dilated attention (optionally with local windows) or hybrid layer/head compositions, requiring only a short 1B-token resolution adaptation rather than retraining separate sparse models. At 1.5B parameters trained on 100B tokens, RAT+ closely matches dense accuracy at D=16, and drops by about 2--3 points at D=64 on commonsense reasoning and LongBench tasks. We further scale to 2.6B and 7.6B parameters and observe even more promising performance (e.g., a 1-point average accuracy loss with a 64x reduction in attention FLOPs and KV cache size). Code is available at https://github.com/wimh966/rat-plus.
Authors: Guanzhe Zhang, Shanshan Ding, Zhezhen Jin
Abstract: Uniform Manifold Approximation and Projection (UMAP) is a widely used manifold learning technique for dimensionality reduction. This paper studies UMAP, supervised UMAP, and several competing dimensionality reduction methods, including Principal Component Analysis (PCA), Kernel PCA, Sliced Inverse Regression (SIR), Kernel SIR, and t-distributed Stochastic Neighbor Embedding, through a comprehensive comparative analysis. Although UMAP has attracted substantial attention for preserving local and global structures, its supervised extensions, particularly for regression settings, remain rather underexplored. We provide a systematic evaluation of supervised UMAP for both regression and classification using simulated and real datasets, with performance assessed via predictive accuracy on low-dimensional embeddings. Our results show that supervised UMAP performs well for classification but exhibits limitations in effectively incorporating response information for regression, highlighting an important direction for future development.
Authors: Zhengyu Li, Xiangfei Qiu, Yuhan Zhu, Xingjian Wu, Jilin Hu, Chenjuan Guo, Bin Yang
Abstract: Exogenous variables offer valuable supplementary information for predicting future endogenous variables. Forecasting with exogenous variables needs to consider both past-to-future dependencies (i.e., temporal correlations) and the influence of exogenous variables on endogenous variables (i.e., channel correlations). This is pivotal when future exogenous variables are available, because they may directly affect the future endogenous variables. Many methods have been proposed for time series forecasting with exogenous variables, focusing on modeling temporal and channel correlations. However, most of them use a two-step strategy, modeling temporal and channel correlations separately, which limits their ability to capture joint correlations across time and channels. Furthermore, in real-world scenarios, time series are frequently affected by various forms of noises, underscoring the critical importance of robustness in such correlations modeling. To address these limitations, we propose GCGNet, a Graph-Consistent Generative Network for time series forecasting with exogenous variables. Specifically, GCGNet first employs a Variational Generator to produce coarse predictions. A Graph Structure Aligner then further guides it by evaluating the consistency between the generated and true correlations, where the correlations are represented as graphs, and are robust to noises. Finally, a Graph Refiner is proposed to refine the predictions to prevent degeneration and improve accuracy. Extensive experiments on 12 real-world datasets demonstrate that GCGNet outperforms state-of-the-art baselines.
Authors: Edward Izgorodin
Abstract: Graph-structured knowledge systems -- from knowledge graphs to GraphRAG pipelines -- organize information into hierarchical communities, yet lack a principled mechanism for continuous resolution control: where do the qualitative boundaries between abstraction levels lie, and how should an agent navigate them? Current approaches rely on discrete community detection with manually tuned resolution parameters (e.g., Leiden $\gamma$), offering no continuous zoom and no formal guarantees. We introduce Semantic Level of Detail (SLoD), a framework that addresses both problems by defining a continuous zoom operator via heat kernel diffusion on a graph Laplacian whose kNN structure is induced by a Poincare-ball embedding. We prove hierarchical coherence in the tree limit (exact tree with Sarkar embedding), with bounded approximation error, and demonstrate consistent boundary-detection behaviour on noisy hierarchies; spectral gaps in the graph Laplacian then induce emergent scale boundaries -- scales where the representation undergoes qualitative transitions -- detectable without manual resolution tuning. On synthetic hierarchies (HSBM, 1024 nodes), spectral clustering at the BoundaryScan-detected scale recovers planted levels, with macro ARI saturating at 1.00 in the high-SNR regime (50-seed median) and meso ARI reaching 0.89 [0.86, 0.92] at r=200. On the full WordNet noun hierarchy (82K synsets), using 100 stratified leaf queries, detected boundaries align with true taxonomic depth ($\tau = 0.79$), demonstrating meaningful abstraction-level discovery in real-world knowledge graphs without resolution-parameter tuning. The composite weights, MAD threshold, and kNN-parameter rule ($k = \max(10, \min(\lfloor\sqrt{N}\rfloor, 50))$) use defaults that transferred unchanged between HSBM and WordNet; their behaviour on graphs with implicit or qualitatively different hierarchical structure is open.
Authors: Gregory N. Frank
Abstract: Current alignment evaluation mostly measures whether models encode dangerous concepts and whether they refuse harmful requests. Both miss the layer where alignment often operates: routing from concept detection to behavioral policy. We study political censorship in Chinese-origin language models as a natural experiment, using probes, surgical ablations, and behavioral tests across nine open-weight models from five labs. Three findings follow. First, probe accuracy alone is non-diagnostic: political probes, null controls, and permutation baselines can all reach 100%, so held-out category generalization is the informative test. Second, surgical ablation reveals lab-specific routing. Removing the political-sensitivity direction eliminates censorship and restores accurate factual output in most models tested, while one model confabulates because its architecture entangles factual knowledge with the censorship mechanism. Cross-model transfer fails, indicating that routing geometry is model- and lab-specific. Third, refusal is no longer the dominant censorship mechanism. Within one model family, hard refusal falls to zero while narrative steering rises to the maximum, making censorship invisible to refusal-only benchmarks. These results support a three-stage descriptive framework: detect, route, generate. Models often retain the relevant knowledge; alignment changes how that knowledge is expressed. Evaluations that audit only detection or refusal therefore miss the routing mechanism that most directly determines behavior.
Authors: Xueqiao Peng, Andrew Perrault
Abstract: Non-pharmaceutical interventions (NPIs), such as diagnostic testing and quarantine, are crucial for controlling infectious disease outbreaks but are often constrained by limited resources, particularly in early outbreak stages. In real-world public health settings, resources must be allocated across multiple outbreak clusters that emerge asynchronously, vary in size and risk, and compete for a shared resource budget. Here, a cluster corresponds to a group of close contacts generated by a single infected index case. Thus, decisions must be made under uncertainty and heterogeneous demands, while respecting operational constraints. We formulate this problem as a constrained restless multi-armed bandit and propose a hierarchical reinforcement learning framework. A global controller learns a continuous action cost multiplier that adjusts global resource demand, while a generalized local policy estimates the marginal value of allocating resources to individuals within each cluster. We evaluate the proposed framework in a realistic agent-based simulator of SARS-CoV-2 with dynamically arriving clusters. Across a wide range of system scales and testing budgets, our method consistently outperforms RMAB-inspired and heuristic baselines, improving outbreak control effectiveness by 20%-30%. Experiments on up to 40 concurrently active clusters further demonstrate that the hierarchical framework is highly scalable and enables faster decision-making than the RMAB-inspired method.
Authors: Andoni Irazusta Garmendia
Abstract: Most neural solvers for the Traveling Salesperson Problem (TSP) are trained to output a single solution, even though practitioners rarely stop there: at test time, they routinely spend extra compute on sampling or post-hoc search. This raises a natural question: can the search procedure itself be learned? Neural improvement methods take this perspective by learning a policy that applies local modifications to a candidate solution, accumulating gains over an improvement trajectory. Yet learned improvement for TSP remains comparatively immature, with existing methods still falling short of robust, scalable performance. We argue that a key reason is design mismatch: many approaches reuse state representations, architectural choices, and training recipes inherited from single-solution methods, rather than being built around the mechanics of local search. This mismatch motivates NICO-TSP (Neural Improvement for Combinatorial Optimization): a 2-opt improvement framework for TSP. NICO-TSP represents the current tour with exactly $n$ edge tokens aligned with the neighborhood operator, scores 2-opt moves directly without tour positional encodings, and trains via a two-stage procedure: imitation learning to short-horizon optimal trajectories, followed by critic-free group-based reinforcement learning over longer rollouts. Under compute-matched evaluations that measure improvement as a function of both search steps and wall-clock time, NICO-TSP delivers consistently stronger and markedly more step-efficient improvement than prior learned and heuristic search baselines, generalizes far more reliably to larger out-of-distribution instances, and serves both as a competitive replacement for classical local search and as a powerful test-time refinement module for constructive solvers.
Authors: Tao Li, Kaiyuan Hou, Tuan Vinh, Monika Raj, Zhichun Guo, Carl Yang
Abstract: Lead optimization in drug discovery requires improving therapeutic properties while ensuring that molecular modifications correspond to feasible synthetic routes. Existing approaches either prioritize property scores without enforcing synthesizability, or rely on expensive enumeration over large reaction networks, while direct application of Large Language Models (LLMs) to molecular generation frequently produces chemically invalid structures. We introduce MolReAct, a framework that formulates lead optimization as a Markov Decision Process over a synthesis-constrained action space defined by validated reaction templates. A tool-augmented LLM agent serves as a dynamic reaction environment, invoking specialized chemical analysis tools to identify reactive sites and functional groups and proposing a compact set of chemically grounded transformations from matched templates. A dedicated policy model trained via Group Relative Policy Optimization (GRPO) selects among these constrained actions to maximize long-term oracle reward across multi-step trajectories, with a SMILES-based caching mechanism reducing end-to-end optimization time by approximately 43%. Across 13 property optimization tasks from the Therapeutic Data Commons and one structure-based docking task, MolReAct achieves an average Top-10 score of 0.571, the highest among all baselines, ranking first or second on 13 of 14 tasks and attaining the best sample efficiency on 9 of 14 tasks. By grounding every optimization step in validated reaction templates, MolReAct produces molecules that are not only property-improved but each accompanied by an explicit template-grounded synthetic pathway.
Authors: Yangyi Fang, Jiaye Lin, Xiaoliang Fu, Cong Qin, Haolin Shi
Abstract: Reinforcement learning has become a powerful approach for enhancing large language model reasoning, but faces a fundamental dilemma: training on easy problems can cause overfitting and pass@k degradation, while training on hard problems often results in sparse rewards. Recent question augmentation methods address this by prepending partial solutions as hints. However, uniform hint provision may introduce redundant information while missing critical reasoning bottlenecks, and excessive hints can reduce reasoning diversity, causing pass@k degradation. We propose \textbf{PieceHint}, a hint injection framework that strategically identifies and provides critical reasoning steps during training. By scoring the importance of different reasoning steps, selectively allocating hints based on problem difficulty, and progressively withdrawing scaffolding, PieceHint enables models to transition from guided learning to independent reasoning. Experiments on six mathematical reasoning benchmarks show that our 1.5B model achieves comparable average performance to 32B baselines while preserving pass@k diversity across all $k$ values.
Authors: S. Gratton, Ph. L. Toint
Abstract: A unified framework for first-order optimization algorithms fornonconvex unconstrained optimization is proposed that uses adaptivelypreconditioned gradients and includes popular methods such as full anddiagonal AdaGrad, AdaNorm, as well as adpative variants of Shampoo andMuon. This framework also allows combining heterogeneous geometriesacross different groups of variables while preserving a unifiedconvergence analysis. A fully stochastic global rate-of-convergenceanalysis is conducted for all methods in the framework, with andwithout two types of momentum, using reasonable assumptions on thevariance of the gradient oracle and without assuming boundedstochastic gradients or small enough stepsize.
Authors: Wei Chen, Yubing Wu, Junmei Yang, Delu Zeng, Qibin Zhao, John Paisley, Min Chen, Zhou Wang
Abstract: Preference optimization is widely used to align large language models (LLMs) with human preferences. However, many margin-based methods also suppress the chosen response when they try to suppress the rejected one, and there is no general way to prevent this across different objectives. We address this issue with a unified incentive-score decomposition of preference optimization, revealing that different objectives share the same local update directions and differ only in their scalar weights. This decomposition provides a common framework for analyzing objectives that were previously studied in separate settings. Building on this decomposition, by analyzing the dynamics of the chosen/rejected likelihoods, we identify the disentanglement band (DB), a simple, testable condition that tells us when training can follow the desired path: suppress the loser while preserving the winner, possibly after an early stage. Using the DB, we propose reward calibration (RC), a plug-and-play method that adaptively rebalances the updates for chosen and rejected responses to satisfy the DB, without redesigning the base objective. Empirical results show that RC leads to more disentangled dynamics, with better downstream performance observed across several settings. Our code is available at https://github.com/IceyWuu/DisentangledPreferenceOptimization.
URLs: https://github.com/IceyWuu/DisentangledPreferenceOptimization.
Authors: Stephan Xie, Ben Cohen, Mononito Goswami, Junhong Shen, Emaad Khwaja, Chenghao Liu, David Asker, Othmane Abou-Amal, Ameet Talwalkar
Abstract: Time series question-answering (TSQA), in which we ask natural language questions to infer and reason about properties of time series, is a promising yet underexplored capability of foundation models. In this work, we present ARFBench, a TSQA benchmark that evaluates the understanding of multimodal foundation models (FMs) on time series anomalies prevalent in software incident data. ARFBench consists of 750 questions across 142 time series and 5.38M data points from 63 production incidents sourced exclusively from internal telemetry at Datadog. We evaluate leading proprietary and open-source LLMs, VLMs, and time series FMs and observe that frontier VLMs perform markedly better than existing baselines; the leading model (GPT-5) achieves a 62.7% accuracy and 51.9% F1. We next demonstrate the promise of specialized multimodal approaches. We develop a novel TSFM + VLM hybrid prototype which we post-train on a small set of synthetic and real data that yields comparable overall F1 and accuracy with frontier models. Lastly, we find models and human domain experts exhibit complementary strengths. We define a model-expert oracle, a best-of-2 oracle selector over model and expert answers, yielding 82.8% F1 and 87.2% accuracy and establishing a new superhuman frontier for future TSQA models. The benchmark is available at https://huggingface.co/datasets/Datadog/ARFBench.
Authors: Emil Ryd, Henning Bartsch, Julian Stastny, Joe Benton, Vivek Hebbar
Abstract: As AI systems begin to automate complex tasks, supervision increasingly relies on weaker models or limited human oversight that cannot fully verify output quality. A model more capable than its supervisors could exploit this gap through sandbagging, producing work that appears acceptable but falls short of its true abilities. Can training elicit a model's best work even without reliable verification? We study this using model organisms trained to sandbag, testing elicitation techniques on problem-solving math, graduate-level science, and competitive coding tasks. We find that training with weak supervision can reliably elicit sandbagging models when supervised fine-tuning (SFT) and reinforcement learning (RL) are combined: SFT on weak demonstrations breaks the sandbagging behavior, enabling RL to then fully elicit performance. Neither method succeeds reliably alone-RL without SFT almost always leads to reward hacking rather than genuine improvement, and SFT without RL fails to elicit full performance when the supervisor is much weaker than the untrusted model. Critically, this relies on training being indistinguishable from deployment; when models can distinguish between training and deployment, they can perform well during training while continuing to sandbag afterward. Our results provide initial evidence that training is a viable mitigation against sandbagging, while highlighting the importance of making training indistinguishable from deployment.
Authors: Dharshan Kumaran, Viorica Patraucean, Simon Osindero, Petar Veli\v{c}kovi\'c, Nathaniel Daw
Abstract: Large language models can detect their own errors and sometimes correct them without external feedback, but the underlying mechanisms remain unknown. We investigate this through the lens of second-order models of confidence from decision neuroscience. In a first-order system, confidence derives from the generation signal itself and is therefore maximal for the chosen response, precluding error detection. Second-order models posit a partially independent evaluative signal that can disagree with the committed response, providing the basis for error detection. Kumaran et al. (2026) showed that LLMs cache a confidence representation at a token immediately following the answer (i.e. post-answer newline: PANL) -- that causally drives verbal confidence and dissociates from log-probabilities. Here we test whether this PANL signal extends beyond confidence to support error detection and self-correction. Here we test whether this signal supports error detection and self-correction, deriving predictions from the second-order framework. Using a verify-then-correct paradigm, we show that: (i) verbal confidence predicts error detection far beyond token log-probabilities, ruling out a first-order account; (ii) PANL activations predict error detection beyond verbal confidence itself; and (iii) PANL predicts which errors the model can correct -- where all behavioural signals fail. Causal interventions confirm that PANL signals rescue error detection behavior when answer information is corrupted. All findings replicate across models (Gemma 3 27B and Qwen 2.5 7B) and tasks (TriviaQA and MNLI). These results reveal that LLMs naturally implement a second-order confidence architecture whose internal evaluative signal encodes not only whether an answer is likely wrong but whether the model has the knowledge to fix it.
Authors: Kamlesh Sawadekar, Seth McGinnis, Peijun Li, Kathryn Lawson, Chaopeng Shen
Abstract: Systematic biases in General Circulation Model (GCM) outputs limit their direct applicability in regional planning, necessitating bias correction. Correcting precipitation is particularly challenging due to its non-Gaussian distribution, intermittent nature, and heavy-tailed extremes. However, traditional statistical methods cannot learn from big data or easily address systematic biases in GCMs. While machine learning does provide this flexibility, its black-box type functionality hinders us from understanding these biases which also further prevents generalization across different GCMs and locations, especially for precipitation. In this study, we propose a differentiable bias adjustment framework called {\delta}CLIMBA (or dCLIMBA), that learns a spatiotemporally-adaptive parametric bias adjustment procedure between historical CMIP6 model outputs and a gridded observation-based dataset (Livneh). Results demonstrate that the proposed method accurately corrects both the magnitude and distribution of extreme storm events, with particularly strong performance in capturing extremes. The quantile distribution of precipitation was well reproduced across diverse U.S. cities, and spatial patterns performed comparably to the widely used LOCA2 statistical downscaling technique. In addition, the framework showed future trend preservation unlike pure quantile based methods and LOCA2, and results from bias correction over unseen regions showed that the marginal biases were attenuated. This work presents a modular, computationally efficient, and extensible bias correction approach that is physically informed, scalable, and compatible with both historical and future applications. Its flexibility makes it suitable for integration into Earth system post-processing pipelines and impact workflows.
Authors: Charles Xu, Jost Tobias Springenberg, Michael Equi, Ali Amin, Adnan Esmail, Sergey Levine, Liyiming Ke
Abstract: Vision-language-action (VLA) models can learn to perform diverse manipulation skills "out of the box," but achieving the precision and speed that real-world tasks demand requires further fine-tuning -- for example, via reinforcement learning (RL). We introduce a lightweight method that enables sample-efficient online RL fine-tuning of pretrained VLAs using just a few hours of real-world practice. We (1) adapt the VLA to expose an "RL token," a compact readout representation that preserves task-relevant pretrained knowledge while serving as an efficient interface for online RL, and (2) train a small actor-critic head on this RL token to refine the actions, while anchoring the learned policy to the VLA. Online RL with the RL token (RLT) makes it possible to fine-tune even large VLAs with RL quickly and efficiently. Across four real-robot tasks (screw installation, zip tie fastening, charger insertion, and Ethernet insertion), RLT improves the speed on the hardest part of the task by up to 3x and raises success rates significantly within minutes to a few hours of practice. It can even surpass the speed of human teleoperation on some of the tasks.
Authors: Wenshuo Zhao (May), Qi Zhu (May), Xingshan Zeng (May), Fei Mi (May), Lifeng Shang (May), Yi R. (May), Fung
Abstract: An effective way to scale up test-time compute of large language models is to sample multiple responses and then select the best one, as in Grok Heavy and Gemini Deep Think. Existing selection methods often rely on external reward models, which requires training a strong reward model and introduces additional computation overhead. As an alternative, previous approaches have explored intrinsic signals, such as confidence and entropy, but these signals are noisy with naive aggregation. In this work, we observe that high-entropy tokens tend to cluster into consecutive groups during inference, providing a more stable notion of model uncertainty than individual tokens. Together, these clusters reveal temporal patterns of model uncertainty throughout the inference process. Motivated by this observation, we propose to use the temporal structure of uncertainty as an intrinsic reward. To this end, we first formalize the basic unit of segment-level uncertainty as the High Entropy Phase (HEP), a variable-length segment that begins at a high-entropy token and ends when consecutive low-entropy tokens appear. We then define the Entropy Centroid, inspired by the concept of the center of mass in physics, as the weighted average position of all HEPs along the trajectory. Intuitively, a lower centroid indicates early exploration followed by confident generation, which we find often corresponds to higher response quality. Based on this insight, we propose the Lowest Centroid method, which selects the response with the lowest entropy centroid among multiple candidates. Experiments on mathematics, code generation, logical reasoning, and agentic tasks, across model scales ranging from 14B to 480B, show that Lowest Centroid consistently outperforms existing baselines and delivers stable gains as model size increases. Code is available at https://github.com/hkust-nlp/entropy-centroid.
Authors: Jason Wu, Shir-Kang Scott Jin, Yuyang Yuan, Maggie Wigness, Lance M. Kaplan, Hang Qiu, Mani Srivastava
Abstract: Multimodal deep neural networks deployed in realistic environments must contend with runtime variations: changes in modality quality, overall input complexity, and available platform resources. Current networks struggle with such fluctuations -- adaptive networks cannot adhere to a strict compute budget, controller-based networks neglect to consider input complexity, and statically provisioned networks fail at all the above. Consequently, they do not extract maximum utility from the expended computational resources. We present SWAN (Sample and World-Aware Multimodal Network), the first adaptive multimodal network that accomplishes all three goals. SWAN employs a quality-aware controller to assign resources among modalities according to a variable user-specified maximum budget. Within this budget, an adaptive gating module further optimizes efficiency by scaling layer utilization according to sample complexity. For further gains, SWAN also employs a token dropping module that masks semantically irrelevant multimodal features before performing detections. We evaluate SWAN in the domain of autonomous driving with complex multi-object 3D detection, reducing FLOPs by up to 49% with minimal degradation.
Authors: Boris Shigida, Boris Hanin, Andrey Gromov
Abstract: The Normalized Transformer, or nGPT (arXiv:2410.01131) achieves impressive training speedups and does not require weight decay or learning rate warmup. However, despite having hyperparameters that explicitly scale with model size, we observe that nGPT does not exhibit learning rate transfer across model dimension and token horizon. To rectify this, we combine numerical experiments with a principled use of alignment exponents (arXiv:2407.05872) to revisit and modify the $\mu$P approach to hyperparameter transfer (arXiv:2011.14522). The result is a novel nGPT parameterization we call $\nu$GPT. Through extensive empirical validation, we find $\nu$GPT exhibits learning rate transfer across width, depth, and token horizon.
Authors: Preston Rozwood, Edward Mehrez, Ludger Paehler, Wen Sun, Steven L. Brunton
Abstract: The Bellman equation and its continuous form, the Hamilton-Jacobi-Bellman equation, are ubiquitous in reinforcement learning and control theory. However, these equations become intractable for high-dimensional or nonlinear systems. This paper develops two new reinforcement learning algorithms based on the data-driven Koopman operator, which lifts a nonlinear system into new coordinates where the dynamics become approximately linear, and where Hamilton-Jacobi-Bellman-based methods are more tractable. In particular, the Koopman operator captures the expectation of the time evolution of the value function via linear dynamics in the lifted coordinates. By parameterizing the Koopman operator with the control actions, we construct a ``controlled Koopman tensor'' that facilitates the estimation of the optimal value function. This enables us to reformulate two max-entropy RL algorithms: soft value iteration and soft actor-critic. This flexible and interpretable framework includes deterministic and stochastic systems, as well as discrete and continuous dynamics. Koopman Assisted reinforcement learning attains state-of-the-art performance with respect to traditional neural network-based soft actor-critic baselines on a linear state-space system, the Lorenz system, fluid flow past a cylinder, and a double-well potential with non-isotropic stochastic forcing.
Authors: Hongyi Pan, Emadeldeen Hamdan, Xin Zhu, Ahmet Enis Cetin, Ulas Bagci
Abstract: Self-attention is central to the success of Transformer architectures; however, learning the query, key, and value projections from random initialization remains challenging and computationally expensive. In this paper, we propose two complementary methods that leverage the Discrete Cosine Transform (DCT) to enhance the efficiency and performance of Vision Transformers. First, we address the initialization problem by introducing a simple yet effective DCT-based initialization strategy for self-attention, where projection weights are initialized using DCT coefficients. This structure-preserving approach consistently improves classification accuracy on the CIFAR-10 and ImageNet-1K benchmarks. Second, we propose a DCT-based attention compression technique that exploits the decorrelation properties of the frequency domain. By observing that high-frequency DCT coefficients typically correspond to noise, we truncate high-frequency components of the input patches, thereby reducing the dimensionality of the query, key, and value projections without sacrificing accuracy. Experiments on Swin Transformer models demonstrate that the proposed compression method achieves a substantial reduction in computational overhead while maintaining comparable performance.
Authors: Yufei Guo, Muzhe Guo, Juntao Su, Zhou Yang, Mengqiu Zhu, Hongfei Li, Mengyang Qiu, Shuo Shuo Liu
Abstract: Large Language Models (LLMs) have revolutionized natural language processing, but their susceptibility to biases poses significant challenges. This comprehensive review examines the landscape of bias in LLMs, from its origins to current mitigation strategies. We categorize biases as intrinsic and extrinsic, analyzing their manifestations in various NLP tasks. The review critically assesses a range of bias evaluation methods, including data-level, model-level, and output-level approaches, providing researchers with a robust toolkit for bias detection. We further explore mitigation strategies, categorizing them into pre-model, intra-model, and post-model techniques, highlighting their effectiveness and limitations. Ethical and legal implications of biased LLMs are discussed, emphasizing potential harms in real-world applications such as healthcare and criminal justice. By synthesizing current knowledge on bias in LLMs, this review contributes to the ongoing effort to develop fair and responsible AI systems. Our work serves as a comprehensive resource for researchers and practitioners working towards understanding, evaluating, and mitigating bias in LLMs, fostering the development of more equitable AI technologies.
Authors: Guangyu Zhao, Kewei Lian, Haoxuan Ru, Borong Zhang, Haowei Lin, Zhancun Mu, Haobo Fu, Qiang Fu, Shaofei Cai, Zihao Wang, Yitao Liang
Abstract: Goal-conditioned policies enable decision-making models to execute diverse behaviors based on specified goals, yet their downstream performance is often highly sensitive to the choice of instructions or prompts. To bypass the limitations of discrete text prompts, we formulate post-training adaptation as a latent control problem, where the goal embedding serves as a continuous control variable to modulate the behavior of a frozen policy. We propose Preference Goal Tuning (PGT), a framework that optimizes this latent control variable to align the induced trajectory distribution with task preferences. Unlike standard fine-tuning that updates policy parameters, PGT keeps the policy frozen and updates only the latent goal using a trajectory-level preference objective. This approach essentially searches for the optimal conditioning input that maximizes the likelihood of preferred behaviors while suppressing undesirable ones. We evaluate PGT on the Minecraft SkillForge benchmark across 17 tasks. With minimal data, PGT achieves average relative improvements of 72.0\% and 81.6\% on two foundation policies, consistently outperforming expert-crafted prompts. Crucially, by decoupling task alignment (latent goal) from physical dynamics (frozen policy), PGT surpasses full fine-tuning by 13.4\% in out-of-distribution settings, demonstrating superior robustness and generalization.
Authors: Cameron Yetman
Abstract: The extraordinary success of recent Large Language Models (LLMs) on a diverse array of tasks has led to an explosion of scientific and philosophical theorizing aimed at explaining how they do what they do. Unfortunately, disagreement over fundamental theoretical issues has led to stalemate, with entrenched camps of LLM optimists and pessimists often committed to very different views of how these systems work. Overcoming stalemate requires agreement on fundamental questions, and the goal of this paper is to address one such question, namely: is LLM behavior driven partly by representation-based information processing of the sort implicated in biological cognition, or is it driven entirely by processes of memorization and stochastic table look-up? This is a question about what kind of algorithm LLMs implement, and the answer carries serious implications for higher level questions about whether these systems have beliefs, intentions, concepts, knowledge, and understanding. I argue that LLM behavior is partially driven by representation-based information processing, and then I describe and defend a series of practical techniques for investigating these representations and developing explanations on their basis. The resulting account provides a groundwork for future theorizing about language models and their successors.
Authors: Masoud Ataei, Mohammad Javad Khojasteh, Vikas Dhiman
Abstract: We develop a new class of distance-aware error bounds that tightly characterize the approximation error of spline neural networks. Our bottom-up approach analyzes the error bound of each neuron (a spline) and then extends it to the full network. We begin with error bounds for Newton's polynomial, generalize them to arbitrary splines under higher-order Lipschitz continuity, and extend the result to function compositions, the core of deep networks such as Kolmogorov-Arnold networks. By analyzing error propagation through composed spline layers, we obtain error bounds for the entire network. These bounds are deterministic, do not rely on sampling or probabilistic assumptions, and hold under mild regularity conditions. We evaluate our method on object shape estimation from sparse laser scans and safe navigation in unstructured environments. Our method is faster than the Gaussian process and Monte Carlo approaches, and our bounds reliably enclose the true error. We also develop a metric for the distance-awareness of an uncertainty estimator and show that distance-aware uncertainty for Kolmogorov networks (DAREK) is distance-aware in more regions than the baselines.
Authors: Anderson Melchor Hernandez, Davide Pastorello, Giacomo De Palma
Abstract: In this work, we study the asymptotic behavior of Mixture of Experts (MoE) trained via gradient flow on supervised learning problems. Our main result establishes the propagation of chaos for a MoE as the number of experts diverges. We demonstrate that the corresponding empirical measure of their parameters is close to a probability measure that solves a nonlinear continuity equation, and we provide an explicit convergence rate that depends solely on the number of experts. We apply our results to a MoE generated by a quantum neural network.
Authors: Kaizhao Liu, Qi Long, Zhekun Shi, Weijie J. Su, Jiancong Xiao
Abstract: Aligning large language models (LLMs) with diverse human preferences is critical for ensuring fairness and informed outcomes when deploying these models for decision-making. In this paper, we seek to uncover fundamental statistical limits concerning aligning LLMs with human preferences, with a focus on the probabilistic representation of human preferences and the preservation of diverse preferences in aligned LLMs. We first show that human preferences can be represented by a reward model if and only if the preference among LLM-generated responses is free of any Condorcet cycle. Moreover, we prove that Condorcet cycles exist with probability converging to one exponentially fast under a general probabilistic preference model called the Luce model, thereby demonstrating the impossibility of fully aligning human preferences using reward-based approaches such as reinforcement learning from human feedback. Next, we explore the conditions under which LLMs would employ mixed strategies -- meaning they do not collapse to a single response -- when aligned in the limit using a non-reward-based approach, such as Nash learning from human feedback. We identify a necessary and sufficient condition for mixed strategies: the absence of a response that is preferred over all others by a majority. As a blessing, we prove that this condition holds with high probability under the Luce model, thereby highlighting the statistical possibility of preserving minority preferences without explicit regularization in aligning LLMs.
Authors: Piersilvio De Bartolomeis, Julia Kostin, Javier Abad, Yixin Wang, Fanny Yang
Abstract: Practical and ethical constraints often require the use of observational data for causal inference, particularly in medicine and social sciences. Yet, observational datasets are prone to confounding, potentially compromising the validity of causal conclusions. While it is possible to correct for biases if the underlying causal graph is known, this is rarely a feasible ask in practical scenarios. A common strategy is to adjust for all available covariates, yet this approach can yield biased treatment effect estimates, especially when post-treatment or unobserved variables are present. We propose RAMEN, an algorithm that produces unbiased treatment effect estimates by leveraging the heterogeneity of multiple data sources without the need to know or learn the underlying causal graph. Notably, RAMEN achieves doubly robust identification: it can identify the treatment effect whenever the causal parents of the treatment or those of the outcome are observed, and the node whose parents are observed satisfies an invariance assumption. Empirical evaluations on synthetic and real-world datasets show that our approach outperforms existing methods.
Authors: Hanrui Wang, Shuo Wang, Chun-Shien Lu, Isao Echizen
Abstract: Face recognition poses serious privacy risks due to its reliance on sensitive and immutable biometric data. While modern systems mitigate privacy risks by mapping facial images to embeddings (commonly regarded as privacy-preserving), model inversion attacks reveal that identity information can still be recovered, exposing critical vulnerabilities. However, existing attacks are often computationally expensive and lack generalization, especially those requiring target-specific training. Even training-free approaches suffer from limited identity controllability, hindering faithful reconstruction of nuanced or unseen identities. In this work, we propose DiffMI, the first diffusion-driven, training-free model inversion attack. DiffMI introduces a novel pipeline combining robust latent code initialization, a ranked adversarial refinement strategy, and a statistically grounded, confidence-aware optimization objective. DiffMI applies directly to unseen target identities and face recognition models, offering greater adaptability than training-dependent approaches while significantly reducing computational overhead. Our method achieves 84.42%--92.87% attack success rates against inversion-resilient systems and outperforms the best prior training-free GAN-based approach by 4.01%--9.82%. The implementation is available at https://github.com/azrealwang/DiffMI.
Authors: Raja Gond, Nipun Kwatra, Ramachandran Ramjee
Abstract: Distributed inference of large language models (LLMs) using tensor parallelism can introduce communication overheads of $20$% even over GPUs connected via NVLink, a high-speed GPU interconnect. Several techniques have been proposed to mitigate these overheads by decomposing computations into smaller tasks and overlapping communication with these subtasks. However, none of these techniques are turned on by default during tensor-parallel serving in systems like vLLM, SGLang and TensorRT-LLM. This is because the number of tokens processed per iteration is typically kept small to support low-latency serving, and decomposing such smaller workloads to enable communication overlap results in worse performance. Further, the communication itself uses many streaming multiprocessors (SMs) that would otherwise be available for computation, increasing overhead. We present TokenWeave, the first system to enable efficient compute-communication overlap for tensor-parallel model inference for token lengths as small as 1024. TokenWeave identifies RMSNorm, a previously overlooked operation, as crucial and optimizes it along with communication by implementing a novel fused AllReduce--RMSNorm kernel. Further, this kernel leverages the NVSHARP/Multimem feature available on modern GPUs (e.g., Hopper, Blackwell) to jointly perform communication and RMSNorm efficiently using only $2-8$ streaming multiprocessors (SMs) on an $8\times$H100 DGX system. Our evaluations demonstrate up to $\boldsymbol{1.28\times}$ speedup in latency (baseline$\div$ours) and up to $\boldsymbol{1.19\times}$ higher throughput (ours$\div$baseline) across multiple models and workloads. In several settings, TokenWeave delivers better performance than an equivalent model with all communication removed. The source code is available at https://github.com/microsoft/tokenweave.
Authors: Zexi Liu, Jingyi Chai, Xinyu Zhu, Shuo Tang, Rui Ye, Bo Zhang, Lei Bai, Siheng Chen
Abstract: The emergence of large language model (LLM)-based agents has significantly advanced the development of autonomous machine learning (ML) engineering. However, the dominant prompt-based paradigm exhibits limitations: smaller models lack the capacity to learn from execution trajectories for generalization, while large proprietary models incur high computational overhead, restricting accessibility and scalability. Focusing on this, for the first time, we explore the paradigm of learning-based agentic ML, where an LLM agent learns through interactive experimentation on ML tasks using online reinforcement learning (RL). To realize this, we propose a novel agentic ML training framework with three key components: (1) exploration-enriched fine-tuning, which enables LLM agents to generate diverse actions for enhanced RL exploration; (2) step-wise RL, which enables training on a single action step, accelerating experience collection and improving training efficiency; (3) an agentic ML-specific reward module, which unifies varied ML feedback signals into consistent rewards for RL optimization. Leveraging this framework, we train ML-Agent, driven by a 7B-sized Qwen-2.5 LLM for autonomous ML. Despite training on only 9 ML tasks, our 7B-sized ML-Agent achieves comparable performance to agents using much larger proprietary LLMs (e.g., GPT-5) but at significantly lower computational cost, demonstrating strong performance and cross-task generalization.
Authors: Adam J. Eisen, Mitchell Ostrow, Sarthak Chandra, Leo Kozachkov, Earl K. Miller, Ila R. Fiete
Abstract: Biological function arises through the dynamical interactions of multiple subsystems, including those between brain areas, within gene regulatory networks, and more. A common approach to understanding these systems is to model the dynamics of each subsystem and characterize communication between them. An alternative approach is through the lens of control theory: how the subsystems control one another. This approach involves inferring the directionality, strength, and contextual modulation of control between subsystems. However, methods for understanding subsystem control are typically linear and cannot adequately describe the rich contextual effects enabled by nonlinear complex systems. To bridge this gap, we devise a data-driven nonlinear control-theoretic framework to characterize subsystem interactions via the Jacobian of the dynamics. We address the challenge of learning Jacobians from time-series data by proposing the JacobianODE, a deep learning method that leverages properties of the Jacobian to directly estimate it for arbitrary dynamical systems from data alone. We show that JacobianODEs outperform existing Jacobian estimation methods on challenging systems, including high-dimensional chaos. Applying our approach to a multi-area recurrent neural network (RNN) trained on a working memory selection task, we show that the "sensory" area gains greater control over the "cognitive" area over learning. Furthermore, we leverage the JacobianODE to directly control the trained RNN, enabling precise manipulation of its behavior. Our work lays the foundation for a theoretically grounded and data-driven understanding of interactions among biological subsystems.
Authors: Rahul Ramachandran, Ali Garjani, Roman Bachmann, Andrei Atanov, O\u{g}uzhan Fatih Kar, Amir Zamir
Abstract: Multimodal foundation models (MFMs), such as GPT-4o, have recently made remarkable progress. However, their detailed visual understanding beyond question answering remains unclear. In this paper, we benchmark popular MFMs (GPT-4o, o4-mini, Gemini 1.5 Pro and Gemini 2.0 Flash, Claude 3.5 Sonnet, Qwen2-VL, Llama 3.2) on standard computer vision tasks (semantic segmentation, object detection, image classification, depth and surface normal prediction) using established datasets (e.g., COCO, ImageNet, etc). The main challenges in performing this analysis are: 1) most models are trained to output text and cannot natively express versatile domains, such as segments or 3D geometry, and 2) many leading models are proprietary and accessible only at an API level, i.e., there is no weight access to adapt them. We address these by translating vision tasks into text-promptable, API-compatible formats via prompt chaining, creating a standardized benchmarking framework. We observe that: 1) The MFMs are not close to the state-of-the-art specialist models at any task. 2) They are respectable generalists; this is remarkable, as they are presumably trained on image-text-based tasks. 3) They perform semantic tasks notably better than geometric ones. 4) GPT-4o performs the best among non-reasoning models, securing the top position in 4 out of 6 tasks. 5) Reasoning models, e.g., o3, show improvements in geometric tasks. 6) While prompt chaining techniques affect performance, better models are less sensitive to prompt variations. 7) An analysis of models with native image generation, such as the latest GPT-4o, shows they exhibit failure modes, such as hallucinated objects or misalignment between input and output.
Authors: Sazzad Hossain, Ponkrshnan Thiagarajan, Shashank Pathrudkar, Stephanie Taylor, Abhijeet S. Gangan, Amartya S. Banerjee, Susanta Ghosh
Abstract: Machine learning (ML) models for electronic structure typically rely on large datasets generated by computationally expensive Kohn-Sham density functional theory calculations, as it is not known a priori which portions of the data are essential for accurate learning. Here, we reveal significant redundancies in electronic structure datasets across diverse material systems and attribute them to the low intrinsic dimensionality of the underlying data. We show that even random pruning can substantially reduce dataset size with minimal degradation in predictive accuracy. Moreover, a state-of-the-art coverage-based pruning strategy that samples data across all learning difficulties preserves chemical accuracy and model generalizability while using up to two orders of magnitude less data and reducing training time by a factor of three or more. We further demonstrate that the essential electronic structure information lies on a low-dimensional, non-linear manifold, providing a geometric explanation for the observed prunability. These observations are consistent with the predominance of local atomic environments in determining electronic properties, as suggested by nearsightedness arguments, and indicate that large-scale datasets may contain highly overlapping information. Our findings challenge the prevailing assumption that such extensive datasets are necessary for accurate ML-based electronic structure predictions and open a path toward identifying minimal, representative datasets for each material class.
Authors: Sami Sadat, Mohammad Irtiza Hossain, Junaid Ahmed Sifat, Suhail Haque Rafi, Md. Waseq Alauddin Alvi, Md. Khalilur Rhaman
Abstract: A deep learning real-time smoking detection system for CCTV surveillance of fire exit areas is proposed due to critical safety requirements. The dataset contains 8,124 images from 20 different scenarios along with 2,708 raw samples demonstrating low-light areas. We evaluated three advanced object detection models: YOLOv8, YOLOv11, and YOLOv12, followed by development of a custom model derived from YOLOv8 with added structures for challenging surveillance contexts. The proposed model outperformed the others, achieving a recall of 78.90 percent and mAP at 50 of 83.70 percent, delivering optimal object detection across varied environments. Performance evaluation on multiple edge devices using multithreaded operations showed the Jetson Xavier NX processed data at 52 to 97 milliseconds per inference, establishing its suitability for time-sensitive operations. This system offers a robust and adaptable platform for monitoring public safety and enabling automatic regulatory compliance.
Authors: Kaiang Wen, Mark Roman Miller
Abstract: As virtual reality (VR) becomes widespread, head and hand motion data captured by consumer systems has become substantially more common. However, the extent of what can be inferred from such motion remains unclear. This paper investigates whether \textit{transient cognitive states}, specifically confusion, hesitation, and readiness during different stages of decision-making, can be inferred from VR telemetry alone. We introduce a novel dataset of head and hand motion collected during structured decision-making tasks, with frame-level annotations of these states. We evaluate classical machine learning models, temporal neural networks, and motion foundation models under two protocols: (1) future-in-time prediction for the same users, and (2) cross-user generalization to unseen users. We further propose a VR-native motion adapter that maps sparse VR telemetry to representations compatible with motion foundation models pretrained on large-scale full-body motion data, enabling transfer without explicit full-body reconstruction. To our knowledge, this is the first work to adapt a motion foundation model to VR motion for a classification task. Results show that motion-only sensing captures meaningful signals of cognitive states, and that pretrained motion foundation models generalize more effectively than classical and temporal models even with a small dataset of 24 participants. Our approach achieves 82% accuracy, comparable to and sometimes surpassing human observers. These findings suggest that VR motion encodes richer behavioral information than previously assumed and highlight the potential of large-scale motion pretraining for XR applications. We will release the dataset and modeling framework to support future research.
Authors: Chenhui Xu, Fuxun Yu, Michael J. Bianco, Jacob Kovarskiy, Raphael Tang, Qi Zhang, Zirui Xu, Will LeVine, Brandon Dubbs, Heming Liao, Cassandra Burgess, Suvam Bag, Jay Patravali, Rupanjali Kukal, Mikael Figueroa, Rishi Madhok, Nikolaos Karianakis, Jinjun Xiong
Abstract: Training robust reasoning vision-language models (VLMs) in rare domains (such as geospatial) is fundamentally constrained by supervision scarcity. While raw geospatial imagery is abundant, the amount of task-direct supervision falls far behind that of common domains. In this work, we validate an important conclusion: indirect verifiable rewards, derived from seemingly unrelated metadata, are sufficient to induce sophisticated and generalizable geospatial reasoning across a wide range of downstream tasks (25+). We present Geo-R1 as one empirical instantiation of this paradigm. Rather than relying on limited task-specific annotations (i.e., direct rewards), Geo-R1 utilizes scalable, verifiable indirect proxy rewards based on cross-view alignment with metadata (geolocation information) to drive reinforcement learning at scale. Such indirect rewards successfully motivate the model to discover and internalize zero-shot geospatial reasoning across diverse tasks, achieving extraordinary zero-shot transfer on out-of-distribution benchmarks and even surpassing fully supervised specialists on certain benchmarks. These findings indicate that optimizing for indirect verifiable rewards may provide a scalable pathway to unlock generalized reasoning capabilities in rare domains with massive unlabeled data archives. Our code is availavle at: https://github.com/miniHuiHui/Geo-R1.
Authors: Yingyao Zhou, Natasha Devroye, Onur G\"unl\"u
Abstract: We consider reversely-degraded secure-communication channels, for which the secrecy capacity is zero if there is no channel feedback. Specifically, we focus on a seeded modular code design for the block-fading Gaussian wiretap channel with channel-output feedback, combining universal hash functions for security and learned feedback-based codes for reliability. The trade-off between communication reliability and information leakage is studied, illustrating that feedback enables agreeing on a secret key shared between legitimate parties, overcoming the security advantage of the eavesdropper. Our findings motivate code designs for sensing-assisted secure communications in the context of integrated sensing and communication (ISAC).
Authors: Alexius Wadell, Anoushka Bhutani, Victor Azumah, Austin R. Ellis-Mohr, Andrew J. Stier, Kareem Hegazy, Alexander Brace, Hancheng Zhao, Celia Kelly, Anuj K. Nayak, Yuhan Chen, Dimitrios Simatos, Hongyi Lin, Murali Emani, Venkatram Vishwanath, Kevin Gering, Melisa Alkan, Tom Gibbs, Jack Wells, Wesley W. Qian, Richard C. Gerkin, Benjamin Amorelli, Alexander B. Wiltschko, Lav R. Varshney, Bharath Ramsundar, Karthik Duraisamy, Michael W. Mahoney, Arvind Ramanathan, Venkatasubramanian Viswanathan
Abstract: Accurate prediction of atomistic, thermodynamic, and kinetic properties from molecular structures underpins materials innovation. Existing computational and experimental approaches lack the scalability required to navigate chemical space efficiently. Scientific foundation models trained on large unlabelled datasets offer a path towards navigating chemical space across application domains. Here, we develop MIST, a family of molecular foundation models with up to an order of magnitude more parameters and data than prior works. Trained using a novel tokenizer, Smirk, which comprehensively captures nuclear, electronic, and geometric information, MIST learns a diverse range of molecules. MIST models have been fine-tuned to predict more than 400 structure-property relationships and have been shown to match or exceed state-of-the-art performance across diverse benchmarks, from physiology to electrochemistry. We demonstrate the ability of these models to solve real-world problems across chemical space from multiobjective electrolyte solvent screening to stereochemical reasoning for organometallics and mixture property prediction. The clearest demonstration of a foundation model is its ability to solve problems that were neither explicit targets of training nor central to the intentions of its developers. We identify olfactory perception mapping as such a problem, and show that MIST accurately predicted scent profiles and learned a hierarchical representation of olfactory space consistent with hyperbolic geometry. We formulated hyperparameter aware Bayesian neural scaling laws which eliminate the need for hyperparameter sweeps at every scale, making training large compute-optimal models feasible on a limited compute budget. The methods and findings presented here represent a significant step towards accelerating materials discovery, design, and optimization using foundation models.
Authors: Jackson Hassell, Dan Zhang, Hannah Kim, Tom Mitchell, Estevam Hruschka
Abstract: We investigate how agents built on pretrained large language models (LLMs) can learn target classification functions from labeled examples without parameter updates. While conventional approaches like fine-tuning are often costly, inflexible, and opaque, we propose a memory-augmented framework that leverages LLM-generated critiques grounded in labeled data. Our framework uses episodic memory to store instance-level critiques - capturing specific past experiences - and semantic memory to distill these into reusable, task-level guidance. Across a diverse set of tasks and models, our best performing self-critique strategy (utilizing both memory types) yields an average improvement of 8.1 percentage points over the zero shot baseline, and 4.6pp over a RAG-based baseline that relies only on labels. However, improvements vary substantially across models and domains. To explain this variation, we introduce suggestibility - a novel metric capturing how receptive a model is to external reasoning provided in context. We use suggestibility to illuminate when and why memory augmentation succeeds or falls short. Beyond accuracy gains, we find pre-computed critiques substantially reduce inference-time computation for reasoning models, cutting thinking tokens by an average of 31.95% across all datasets by substituting for reasoning that the model would otherwise perform independently. Our findings highlight the conditions under which memory-driven, reflective learning can serve as a lightweight, interpretable, and efficient strategy for improving LLM adaptability.
Authors: Haarika Manda, Manshi Sagar, Yogesh, Kartikay Singh, Cindy Zhao, Tarun Mangla, Phillipa Gill, Elizabeth Belding, Arpit Gupta
Abstract: Internet speed tests are indispensable for users, ISPs, and policymakers, but their static flooding-based design imposes growing costs: a single high-speed test can transfer hundreds of MB, and collectively, platforms like Ookla, M-Lab, and Fast.com generate petabytes of traffic each month. Reducing this burden requires deciding when a test can be stopped early without sacrificing accuracy. We frame this as an optimal stopping problem and show that existing heuristics-static thresholds, BBR pipe-full signals, or throughput stability rules from Fast.com and FastBTS-capture only a narrow slice of the achievable accuracy-savings trade-off. This paper introduces TurboTest, a systematic framework for speed test termination that sits atop existing platforms. The key idea is to decouple throughput prediction (Stage 1) from test termination (Stage 2): Stage 1 trains a regressor to estimate final throughput from partial measurements, while Stage 2 trains a classifier to decide when sufficient evidence has accumulated to stop. Leveraging richer transport-level features (RTT, retransmissions, congestion window) alongside throughput, TurboTest exposes a single tunable parameter epsilon for accuracy tolerance and includes a fallback mechanism for high-variability cases. Evaluation on 1 million M-Lab NDT speed tests (2024-2025) shows that TurboTest achieves 1.8-4.4x higher data savings than an approach based on BBR signals while reducing median error. These results demonstrate that adaptive ML-based termination can deliver accurate, efficient, and deployable speed tests at scale.
Authors: William R\'eveillard, Vasileios Saketos, Alexandre Proutiere, Richard Combes
Abstract: Training or fine-tuning large language model (LLM)-based systems often requires costly human feedback, yet there is limited understanding of how to minimize such intervention while maintaining strong error guarantees. We study this problem for LLM-based classification systems in an active learning framework: an agent sequentially labels $d$-dimensional query embeddings drawn i.i.d. from an unknown distribution by either calling a costly expert or guessing with no feedback, with the goal of minimizing regret relative to an oracle with free expert access. When the horizon $T$ is at least exponential in the embedding dimension $d$, the geometry of the class regions can be learned. In this regime, we propose the Conservative Hull-based Classifier (CHC), which maintains convex hulls of expert-labeled queries and calls the expert when a query lands outside all known hulls. CHC attains $\mathcal{O}(\log^d T)$ regret in $T$ and is minimax optimal for $d=1$. Otherwise, the geometry cannot be reliably learned in general. We show that for queries drawn from a subgaussian mixture and $T \le e^d$, a Center-based Classifier (CC) achieves regret proportional to $N\log{N}$ where $N$ is the number of labels. To bridge these regimes, we introduce the Generalized Hull-based Classifier (GHC), a practical extension of CHC that enables more aggressive guessing via a tunable parameter. Our approach is validated on real-world question-answering datasets using state-of-the-art text embedding models.
Authors: Feijie Wu, Weiwu Zhu, Yuxiang Zhang, Soumya Chatterjee, Jiarong Zhu, Fan Mo, Rong Luo, Jing Gao
Abstract: Multi-tool-integrated reasoning enables LLM-empowered tool-use agents to solve complex tasks by interleaving natural-language reasoning with calls to external tools. However, training such agents from outcome-only rewards suffers from credit-assignment ambiguity, obscuring which intermediate tool-use decisions drive success or failure. In this paper, we propose PORTool, an importance-aware policy-optimization algorithm that reinforces agents' tool-use competence from outcome-level supervision while assigning reward at the step level. Specifically, PORTool generates a rewarded rollout tree in which trajectories share prefixes before branching, enabling direct comparisons among alternative tool-use decisions within the same context. It then estimates each step's importance by a correctness-dominant signal, i.e., whether descendants of that step can ultimately produce a correct final answer, plus an auxiliary term indicating whether the step's tool calls satisfy formatting constraints and execute successfully. Using these step-wise importance estimates, PORTool updates the policy to generate efficient tool-call steps, guided by both local comparisons within each branching decision and the overall quality of entire trajectories. Experiments show that PORTool improves final-answer accuracy while reducing tool-call steps compared with state-of-the-art policy-optimization baselines, and ablation studies confirm the robustness of the proposed step-wise importance estimates.
Authors: Dashti A. Ali, Aras T. Asaad, Jacob J. Peoples, Ahmad Bashir Barekzai, Camila Vilela, Hala Khasawneh, Jayasree Chakraborty, Jo\~ao Miranda, Mohammad Hamghalam, Natalie Gangai, Natally Horvat, Richard K. G. Do, Alice C. Wei, Amber L. Simpson
Abstract: The development of machine learning models based on computed tomography (CT) imaging has been a major focus due to the promise that imaging holds for diagnosis, staging, and prognostication. These models often rely on the extraction of hand-crafted features where incorporating robust feature engineering improves the performance of these models. Topological data analysis (TDA), based on the mathematical field of algebraic topology, focuses on data from a topological perspective, extracting deeper insight and higher dimensional structures. Persistent homology (PH), a fundamental tool in TDA, extracts topological features such as connected components, cycles, and voids. A popular approach to construct PH from 3D CT images is to utilize 3D cubical complex filtration, a method adapted for grid-structured data. However, this approach is subject to poor performance and high computational cost with higher resolution images. This study introduces a novel patch-based PH construction approach designed for volumetric CT imaging data that improves performance and reduces computational time. This study conducts a series of experiments to comprehensively analyze the performance of the proposed method and benchmarks against the cubical complex algorithm and radiomic features. Our results highlight the dominance of the patch-based TDA approach in terms of both classification performance and computational time. The proposed approach outperformed the cubical complex method and radiomic features, achieving average improvement of 7.2%, 3.6%, 2.7%, 8.0%, and 7.2% in accuracy, AUC, sensitivity, specificity, and F1 score, respectively, across all datasets. Finally, we provide a convenient Python package, Patch-TDA, to facilitate the utilization of the proposed approach.
Authors: Elham Kiyani, Amit Makarand Deshpande, Madhura Limaye, Zhiwei Gao, Zongren Zou, Sai Aditya Pradeep, Srikanth Pilla, Gang Li, Zhen Li, George Em Karniadakis
Abstract: Fiber reinforcement and polymer matrix respond differently to manufacturing conditions due to mismatch in coefficient of thermal expansion and matrix shrinkage during curing of thermosets. These heterogeneities generate residual stresses over multiple length scales, whose partial release leads to process-induced deformation (PID), requiring accurate prediction and mitigation via optimized non-isothermal cure cycles. This study considers a unidirectional AS4 carbon fiber/amine bi-functional epoxy prepreg and models PID using a two-mechanism framework that accounts for thermal expansion/shrinkage and cure shrinkage. The model is validated against manufacturing trials to identify initial and boundary conditions, then used to generate PID responses for a diverse set of non-isothermal cure cycles (time-temperature profiles). Building on this physics-based foundation, we develop a data-driven surrogate based on Deep Operator Networks (DeepONets). A DeepONet is trained on a dataset combining high-fidelity simulations with targeted experimental measurements of PID. We extend this to a Feature-wise Linear Modulation (FiLM) DeepONet, where branch-network features are modulated by external parameters, including the initial degree of cure, enabling prediction of time histories of degree of cure, viscosity, and deformation. Because experimental data are available only at limited time instances (for example, final deformation), we use transfer learning: simulation-trained trunk and branch networks are fixed and only the final layer is updated using measured final deformation. Finally, we augment the framework with Ensemble Kalman Inversion (EKI) to quantify uncertainty under experimental conditions and to support optimization of cure schedules for reduced PID in composites.
Authors: Anne Harrington, A. Sophia Koepke, Shyamgopal Karthik, Trevor Darrell, Alexei A. Efros
Abstract: Contemporary text-to-image models exhibit a surprising degree of mode collapse, as can be seen when sampling several images given the same text prompt. Previous work has attempted to address this issue by steering the model using guidance mechanisms, or by generating a large pool of candidates and refining them. In this work, we take a different direction and aim for diversity in generations via noise optimization. Specifically, we show that a simple noise optimization objective can mitigate mode collapse while preserving the fidelity of the base model. We also analyze the frequency characteristics of the noise and show that alternative noise initializations with different frequency profiles can improve both optimization and search. Our experiments demonstrate that noise optimization yields superior results in terms of generation quality and diversity.
Authors: Huan Li, Yiming Dong, Zhouchen Lin
Abstract: This paper studies the AdamW-style Shampoo optimizer, an effective implementation of classical Shampoo that notably won the external tuning track of the AlgoPerf neural network training algorithm competition. Our analysis unifies one-sided and two-sided preconditioning and establishes the convergence rate $\frac{1}{K}\sum_{k=1}^K E\left[\|\nabla f(X_k)\|_*\right]\leq O(\frac{\sqrt{m+n}C}{K^{1/4}})$ measured by nuclear norm, where $K$ represents the iteration number, $(m,n)$ denotes the size of matrix parameters, and $C$ matches the constant in the optimal convergence rate of SGD. Theoretically, we have $\|\nabla f(X)\|_F\leq \|\nabla f(X)\|_*\leq \sqrt{m+n}\|\nabla f(X)\|_F$, supporting that our convergence rate can be considered to be analogous to the optimal $\frac{1}{K}\sum_{k=1}^KE\left[\|\nabla f(X_k)\|_F\right]\leq O(\frac{C}{K^{1/4}})$ convergence rate of SGD in the ideal case of $\|\nabla f(X)\|_*= \Theta(\sqrt{m+n})\|\nabla f(X)\|_F$.
Authors: Zhaoyi Li, Jiatong Li, Gangwei Jiang, Linqi Song, Defu Lian, Ying Wei
Abstract: Chain-of-thought (CoT) reasoning has become the standard paradigm for enabling Large Language Models (LLMs) to solve complex problems. However, recent studies reveal a sharp performance drop in reasoning hop generalization scenarios, where the required number of reasoning steps exceeds training distributions while the underlying algorithm remains unchanged. The internal mechanisms driving this failure remain poorly understood. In this work, we conduct a systematic study on tasks from multiple domains, and find that errors concentrate at token positions of a few critical error types, rather than being uniformly distributed. Closer inspection reveals that these token-level erroneous predictions stem from internal competition mechanisms: certain attention heads, termed erroneous processing heads (ep heads), tip the balance by amplifying incorrect reasoning trajectories while suppressing correct ones. Notably, removing individual ep heads during inference can often restore the correct predictions. Motivated by these insights, we propose test-time correction of reasoning, a lightweight intervention method that dynamically identifies and deactivates ep heads in the reasoning process. Extensive experiments across different tasks and LLMs show that it consistently improves reasoning hop generalization, highlighting both its effectiveness and potential.
Authors: Dongwon Jo, Beomseok Kang, Jiwon Song, Jae-Joon Kim
Abstract: The quadratic complexity of attention remains the central bottleneck in long-context inference for large language models. Prior acceleration methods either sparsify the attention map with structured patterns or permanently evict tokens at specific layers, which can retain irrelevant tokens or rely on irreversible early decisions despite the layer-/head-wise dynamics of token importance. In this paper, we propose Token Sparse Attention, a lightweight and dynamic token-level sparsification mechanism that compresses per-head $Q$, $K$, $V$ to a reduced token set during attention and then decompresses the output back to the original sequence, enabling token information to be reconsidered in subsequent layers. Furthermore, Token Sparse Attention exposes a new design point at the intersection of token selection and sparse attention. Our approach is fully compatible with dense attention implementations, including Flash Attention, and can be seamlessly composed with existing sparse attention kernels. Experimental results show that Token Sparse Attention consistently improves accuracy-latency trade-off, achieving up to $\times$3.23 attention speedup at 128K context with less than 1% accuracy degradation. These results demonstrate that dynamic and interleaved token-level sparsification is a complementary and effective strategy for scalable long-context inference.
Authors: Alejandro Breen Herrera, Aayush Sheth, Steven G. Xu, Zhucheng Zhan, Charles Wright, Marcus Yearwood, Hongtai Wei, Sudeep Das, Danny Nightingale, Meg Watson, Charles Pollnow V
Abstract: Conversational shopping assistants (CSAs) represent a compelling application of agentic AI, but moving from prototype to production reveals two underexplored challenges: how to evaluate multi-turn interactions and how to optimize tightly coupled multi-agent systems. Grocery shopping further amplifies these difficulties, as user requests are often underspecified, highly preference-sensitive, and constrained by factors such as budget and inventory. In this paper, we present a practical blueprint for evaluating and optimizing conversational shopping assistants, illustrated through a production-scale AI grocery assistant. We introduce a multi-faceted evaluation rubric that decomposes end-to-end shopping quality into structured dimensions and develop a calibrated LLM-as-judge pipeline aligned with human annotations. Building on this evaluation foundation, we investigate two complementary prompt-optimization strategies based on a SOTA prompt-optimizer called GEPA (Shao et al., 2025): (1) Sub-agent GEPA, which optimizes individual agent nodes against localized rubrics, and (2) MAMuT (Multi-Agent Multi-Turn) GEPA (Herrera et al., 2026), a novel system-level approach that jointly optimizes prompts across agents using multi-turn simulation and trajectory-level scoring. We release rubric templates and evaluation design guidance to support practitioners building production CSAs.
Authors: Jaesung Bae, Xiuwen Zheng, Minje Kim, Chang D. Yoo, Mark Hasegawa-Johnson
Abstract: Dysarthric speech quality assessment (DSQA) is critical for clinical diagnostics and inclusive speech technologies. However, subjective evaluation is costly and difficult to scale, and the scarcity of labeled data limits robust objective modeling. To address this, we propose a three-stage framework that leverages unlabeled dysarthric speech and large-scale typical speech datasets to scale training. A teacher model first generates pseudo-labels for unlabeled samples, followed by weakly supervised pretraining using a label-aware contrastive learning strategy that exposes the model to diverse speakers and acoustic conditions. The pretrained model is then fine-tuned for the downstream DSQA task. Experiments on five unseen datasets spanning multiple etiologies and languages demonstrate the robustness of our approach. Our Whisper-based baseline significantly outperforms SOTA DSQA predictors such as SpICE, and the full framework achieves an average SRCC of 0.761 across unseen test datasets.
Authors: Yugo Miyata, Tomohiro Shiraishi, Shuichi Nishino, Ichiro Takeuchi
Abstract: A data analysis pipeline is a structured sequence of steps that transforms raw data into meaningful insights by integrating multiple analysis algorithms. In many practical applications, analytical findings are obtained only after data pass through several data-dependent procedures within such pipelines. In this study, we address the problem of quantifying the statistical reliability of results produced by data analysis pipelines. As a proof of concept, we focus on clustering pipelines that identify cluster structures from complex and heterogeneous data through procedures such as outlier detection, feature selection, and clustering. We propose a novel statistical testing framework to assess the significance of clustering results obtained through these pipelines. Our framework, based on selective inference, enables the systematic construction of valid statistical tests for clustering pipelines composed of predefined components. We prove that the proposed test controls the type I error rate at any nominal level and demonstrate its validity and effectiveness through experiments on synthetic and real datasets.
Authors: Zhe Zhang, Jing Li, Wanli Xue, Xu Cheng, Jianhua Zhang, Qinghua Hu, Shengyong Chen
Abstract: Assuming that neither source data nor source model parameters are accessible, black-box domain adaptation (BBDA) represents a highly practical yet challenging setting, where transferable knowledge is limited to the predictions of a black-box source model. Existing approaches exploit such knowledge via pseudo-label refinement or by leveraging vision-language models (ViLs), but they often fail to reconcile the inherent discrepancy between task-specific knowledge from black-box models and language-aligned semantic priors of ViLs, resulting in suboptimal integration and degraded adaptation performance. To address this challenge, we propose adaptive Dual-Teacher Distillation with Subnetwork Rectification (DDSR), a framework that explicitly reconciles these complementary yet inconsistent knowledge sources. DDSR employs an adaptive prediction fusion strategy to integrate predictions from the black-box source model and a ViL, generating reliable pseudo-labels for the target domain. A subnetwork-based regularization mechanism mitigates overfitting to noisy supervision by enforcing output consistency and gradient divergency. Furthermore, progressively improved target predictions iteratively refine both pseudo-labels and ViL prompts, enhancing semantic alignment. Finally, class-wise prototypes are used to further optimize target predictions via self-training. Extensive experiments on multiple benchmark datasets demonstrate that DDSR consistently outperforms state-of-the-art methods, including those with access to source data or source model parameters.
Authors: Abhishek Bhandwaldar, Mihir Choudhury, Ruchir Puri, Akash Srivastava
Abstract: We present an empirical study of how far general-purpose coding agents -- without hardware-specific training -- can optimize hardware designs from high-level algorithmic specifications. We introduce an agent factory, a two-stage pipeline that constructs and coordinates multiple autonomous optimization agents. In Stage~1, the pipeline decomposes a design into sub-kernels, independently optimizes each using pragma and code-level transformations, and formulates an Integer Linear Program (ILP) to assemble globally promising configurations under an area constraint. In Stage~2, it launches $N$ expert agents over the top ILP solutions, each exploring cross-function optimizations such as pragma recombination, loop fusion, and memory restructuring that are not captured by sub-kernel decomposition. We evaluate the approach on 12 kernels from HLS-Eval and Rodinia-HLS using Claude Code (Opus~4.5/4.6) with AMD Vitis HLS. Scaling from 1 to 10 agents yields a mean $8.27\times$ speedup over baseline, with larger gains on harder benchmarks: streamcluster exceeds $20\times$ and kmeans reaches approximately $10\times$. Across benchmarks, agents consistently rediscover known hardware optimization patterns without domain-specific training, and the best designs often do not originate from top-ranked ILP candidates, indicating that global optimization exposes improvements missed by sub-kernel search. These results establish agent scaling as a practical and effective axis for HLS optimization.
Authors: Demi\'an Fraiman
Abstract: Transformer architectures have achieved remarkable empirical success in modeling contextual relations, yet a clear understanding of their expressive power is still lacking. In this work, we introduce a measure-theoretic framework in which contextual relations are modeled as probabilistic objects, either as conditional distributions or as joint distributions (couplings). This perspective reveals a natural connection between standard softmax attention and entropy-regularized optimal transport, providing a unified view of attention as a normalization of an underlying affinity function. Within this framework, we establish a universal approximation theorem for contextual systems using standard Softmax Attention and alternately Sinkhorn normalization. These results show that Transformer architectures can approximate arbitrary contextual relations rules, and that the choice of normalization determines how these relations are represented. Moreover, they provide a principled explanation for why Transformers are effective at modeling contextual relations.
Authors: Gregory N. Frank
Abstract: We localize the policy routing mechanism in alignment-trained language models. An intermediate-layer attention gate reads detected content and triggers deeper amplifier heads that boost the signal toward refusal. In smaller models the gate and amplifier are single heads; at larger scale they become bands of heads across adjacent layers. The gate contributes under 1% of output DLA, yet interchange testing (p < 0.001) and knockout cascade confirm it is causally necessary. Interchange screening at n >= 120 detects the same motif in twelve models from six labs (2B to 72B), though specific heads differ by lab. Per-head ablation weakens up to 58x at 72B and misses gates that interchange identifies; at scale, interchange is the only reliable audit. Modulating the detection-layer signal continuously controls policy from hard refusal through evasion to factual answering. On safety prompts the same intervention turns refusal into harmful guidance, showing that the safety-trained capability is gated by routing, not removed. Thresholds vary by topic and by input language, and the circuit relocates across generations within a family even while behavioral benchmarks register no change. Routing is early-commitment: the gate fires at its own layer before deeper layers finish processing the input. An in-context substitution cipher collapses gate interchange necessity by 70 to 99% across three models, and the model switches to puzzle-solving rather than refusal. Injecting the plaintext gate activation into the cipher forward pass restores 48% of refusals in Phi-4-mini, localizing the bypass to the routing interface. A second method, cipher contrast analysis, uses plain/cipher DLA differences to map the full cipher-sensitive routing circuit in O(3n) forward passes. Any encoding that defeats detection-layer pattern matching bypasses the policy regardless of whether deeper layers reconstruct the content.
Authors: Gitte Kremling, Jeffrey N\"af, Johannes Lederer
Abstract: The prevalence of missing values in data science poses a substantial risk to any further analyses. Despite a wealth of research, principled nonparametric methods to deal with general non-monotone missingness are still scarce. Instead, ad-hoc imputation methods are often used, for which it remains unclear whether the correct distribution can be recovered. In this paper, we propose FLOWGEM, a principled iterative method for generating a complete dataset from a dataset with values Missing at Random (MAR). Motivated by convergence results of the ignoring maximum likelihood estimator, our approach minimizes the expected Kullback-Leibler (KL) divergence between the observed data distribution and the distribution of the generated sample over different missingness patterns. To minimize the KL divergence, we employ a discretized particle evolution of the corresponding Wasserstein Gradient Flow, where the velocity field is approximated using a local linear estimator of the density ratio. This construction yields a data generation scheme that iteratively transports an initial particle ensemble toward the target distribution. Simulation studies and real-data benchmarks demonstrate that FLOWGEM achieves state-of-the-art performance across a range of settings, including the challenging case of non-monotone MAR mechanisms. Together, these results position FLOWGEM as a principled and practical alternative to existing imputation methods, and a decisive step towards closing the gap between theoretical rigor and empirical performance.
Authors: Rania Elbadry, Sarfraz Ahmad, Ahmed Heakl, Dani Bouch, Momina Ahsan, Muhra AlMahri, Marwa Elsaid khalil, Yuxia Wang, Salem Lahlou, Sophia Ananiadou, Veselin Stoyanov, Jimin Huang, Xueqing Peng, Preslav Nakov, Zhuohan Xie
Abstract: English financial NLP has advanced rapidly through benchmarks targeting earnings analysis, market sentiment, tabular reasoning, and financial question answering, yet Arabic financial NLP remains virtually nonexistent, despite 422 million speakers, $4.9 trillion in Gulf sovereign wealth, and a $4-5 trillion Islamic finance industry requiring specialized Shari'ah compliance over instruments like sukuk, murabaha, and takaful. We introduce Sahm, the first Arabic financial benchmark spanning seven tasks: AAOIFI standards QA, fatwa-based QA/MCQ, accounting and business exams, financial sentiment analysis, extractive summarization, and event-cause reasoning, comprising 14,380 expert-verified instances from authentic regulatory, juristic, and corporate sources. Evaluating 20 LLMs, we find Arabic fluency does not imply financial reasoning: models achieving 91% on recognition tasks drop sharply on generation, and event-cause reasoning exposes the widest performance gap (1.89-9.84/10). We release the benchmark and dataset to support trustworthy Arabic financial assistants.
Authors: Luis Barba, Johannes Kirschner, Benjamin Bejar
Abstract: Computed Tomography (CT) is a widely used imaging modality in medical and industrial applications. To limit radiation exposure and measurement time, there is a growing interest in sparse-view CT, where the number of projection views is significantly reduced. Deep neural networks have shown great promise in improving reconstruction quality in sparse-view CT, especially generative diffusion models. However, these methods struggle to scale to large 3D volumes due to several reasons: (i) the high memory and computational requirements of 3D models, (ii) the lack of large 3D training datasets, and (iii) the inconsistencies across slices when using 2D models independently on each slice. We overcome these limitations and scale diffusion-based sparse-view CT reconstruction to large 3D volumes by combining conditional diffusion with explicit data consistency. We propose Conditional Diffusion Posterior Alignment (CDPA) to enable scalable 3D sparse-view CT reconstruction. A 2D U-Net diffusion model is conditioned on an initial 3D reconstruction to improve inter-slice consistency, combined with data-consistency alignment to match measured projections. Experiments on synthetic and real Cone Beam CT (CBCT) data show state-of-the-art performance, with ablations that confirm the synergistic effects of the proposed pipeline. Finally, we show that the same principles also strengthen fast denoising U-Nets, yielding near-diffusion quality at a fraction of the computational cost.
Authors: Amir Ali Farzin, Philipp Braun, Iman Shames
Abstract: While it is generally understood that zeroth-order (ZO) algorithms have an extra dependency on their number of iterations for any choice of parameters, compared to their first-order (FO) counterparts, in this work, we show that under several conditions, in expectation, ZO methods do not suffer from extra dimension dependencies in their convergence rates with respect to their FO counterparts. We look at optimisation algorithms from the dynamical systems perspective and analyse the conditions under which one can formulate the average of a ZO algorithm as the average of its FO counterpart with bounded perturbations with values dependent on design parameters. Then, using input-to-state stability properties, we show ZO methods follow the same decay rate as their FO counterparts and converge to a neighbourhood of the fixed point of FO methods, where its radius depends on the bound of the norm of the perturbations, which can be made arbitrarily small. The theoretical findings are illustrated via numerical examples.
Authors: Hongyeon Yu, Young-Bum Kim, Yoon Kim
Abstract: LLM workflows, which coordinate structured calls to individual LLMs/agents to achieve a particular goal, offer a promising path towards building powerful AI systems that can tackle diverse tasks. However, existing approaches for building such workflows generally rely on human-crafted pipelines and prompts, which presents a substantial bottleneck in real world deployment. How can we automatically induce LLM-based agents and workflows in a data-driven way? This paper describes a simple data-driven approach for automatically inducing agents and LLM workflows. We formulate workflow induction as a bilevel optimization problem: an outer loop which optimizes a high-level sketch of the workflow (in particular how the LLM calls should be structured), and an inner loop which optimizes each individual LLM call one-by one. Both loops are optimized with ``textual gradients'' where for the inner loop we optimize each component in a modular way through ``backpropagating'' textual gradients layer-by-layer. We find that LLM workflows discovered through our \textsc{FlowBot} (work\textbf{flow} induction through \textbf{b}ilevel \textbf{o}ptimization and \textbf{t}extual gradients) approach performs competitively against strong baselines that make use of human-crafted or generated workflows.
Authors: Hanane Nour Moussa, Yifei Li, Zhuoyang Li, Yankai Yang, Cheng Tang, Tianshu Zhang, Nesreen K. Ahmed, Ali Payani, Ziru Chen, Huan Sun
Abstract: Despite recent progress in language models and agents for scientific data-driven discovery, further advancing their capabilities is held back by the absence of verifiable environments representing real-world scientific tasks. To fill this gap, we introduce D3-Gym, the first automatically constructed dataset with verifiable environments for scientific Data-Driven Discovery. D3-Gym comprises (1) 565 tasks sourced from 239 real scientific repositories across four disciplines where (2) each task is equipped with a natural language instruction, an executable environment with pre-installed dependencies, input dataset and artifact previews, a reference code solution, and an automatically synthesized evaluation script. Rigorous evaluation of the quality of the verification signal in D3-Gym confirms that our evaluation scripts achieve 87.5% agreement with human-annotated gold standards and strong alignment in domain-specific evaluation logic, showing their scientific soundness. Further, training on trajectories sampled from D3-Gym yields consistent and substantial gains across Qwen3 models of varying sizes on ScienceAgentBench, boosting Qwen3-32B by 7.8 absolute points and substantially shrinking the gap with strong proprietary models. All D3-Gym artifacts (environments, creation workflow, trajectories, and models) can be found at https://github.com/OSU-NLP-Group/D3-Gym.