Authors: Afshan Hashmi
Abstract: Background: Alzheimer's disease (AD) affects over 55 million people worldwide. Accurate, interpretable detection of normal cognition (NC), mild cognitive impairment (MCI), and AD from routine clinical assessments remains a critical unmet need. Methods: An XGBoost classifier was developed for three-class detection using eight clinical features from the Alzheimer's Disease Neuroimaging Initiative (ADNI): MMSE, CDR Global, CDR Sum of Boxes (CDR-SB), MoCA, FAQ, age, sex, and education. Hyperparameters were optimised using Optuna (50 trials); class imbalance was addressed with SMOTE. Performance was evaluated by macro AUC-ROC with 1,000-iteration bootstrap 95% confidence intervals, macro F1, balanced accuracy, and Cohen's kappa. SHAP values provided feature-level explainability. Results: The dataset comprised 1,641 baseline subjects (608 NC, 767 MCI, 266 AD). On five-fold cross-validation, mean macro AUC was 0.983 (SD 0.007), accuracy 0.944 (SD 0.006), and macro F1 0.929 (SD 0.008). On the held-out test set (n = 247), macro AUC was 0.982 (95% CI: 0.965--0.995), accuracy 0.943, balanced accuracy 0.932, macro F1 0.927, and Cohen's kappa 0.909. SHAP analysis identified CDR Global as the dominant predictor for NC and MCI, while CDR-SB and MMSE together drove AD classification. Conclusion: An explainable machine learning model trained on routine clinical assessments achieves near-perfect three-class Alzheimer's detection. SHAP analysis reveals clinically plausible, class-specific feature importance patterns supporting clinical validity. Future work will extend this framework with speech biomarkers for multimodal detection.
Authors: Andrew Fitzgibbon, Christoph M. Wintersteiger, Jeffrey Sarnoff
Abstract: The IEEE P3109 draft standard defines a parameterized family of binary floating-point formats and associated operations, with a focus on facilitating machine learning. These formats allow efficient and consistent representation of values in a small number of bits. The defined formats are parameterized over width and precision in bits, signedness, and the presence of infinities. Operations are defined by decoding floating-point values to the set of closed extended reals: the reals augmented with positive and negative infinity and NaN (Not a Number). Explicit treatment of NaN and infinite operands ensures that only real arithmetic is invoked in operation definitions. Extensive rounding and saturation modes are defined; stochastic rounding is included. Operations are exception-free, accelerating throughput, with exceptional situations communicated through return values, e.g., NaN. Operations on blocks of values sharing a common scale factor are defined in terms of the underlying operations in a uniform manner. System vendors may describe approximate implementations via a novel scale-invariant measure, akin to units in the last place, called kappa-approximation. Standard function definitions and various other properties are mechanically verified and generated using formal specifications.
Authors: Parnian Behdin, Kevin Roice, Golnaz Mesbahi
Abstract: Reinforcement Learning (RL) has received increasing attention and adoption in real-world use cases. Most of these systems follow a train-then-fix paradigm, where trained agents do not learn while interacting with the world until performance degrades and retraining becomes necessary. In this position paper, we argue that deploying an agent that is incapable of optimality, but receives an evaluative reward signal, is inherently a continual RL problem. We identify four sources of non-stationarity after deployment that necessitate never-ending learning, and highlight why the best deployed agents never stop adapting. We analyze successful examples of continual RL in the real world, and present the community with the advantages and measures to move away from the current train-then-fix paradigm.
Authors: Ahanaf Hasan Ariq
Abstract: Coupled gradient descent--where the update of one parameter block depends on another--underlies bilevel optimization, two-time-scale stochastic approximation, and adversarial training. When the coupled Jacobian is block-triangular, asymptotic stability is governed by the spectral radii of the diagonal blocks, yet transient amplification before convergence can be arbitrarily large due to non-normality. We develop a sharp pseudospectral theory for such block-triangular Jacobians, proving that the Kreiss constant satisfies $K(J) \leq 2/(1-\gamma) + \|C\|/(4(1-\gamma))$ when the diagonal blocks are symmetric with spectral radii at most $\gamma < 1$, and we establish matching minimax lower bounds. We characterize the critical coupling threshold for spectral instability and extend the analysis to nearly self-referential systems via a Neumann-series perturbation framework. As a consequence, we obtain a finite-horizon iteration-complexity bound of $O(K(J)^2 \log(1/\delta))$ for stochastic coupled descent. Framed as scaling laws for non-stationary two-time-scale optimization, our results expose a non-asymptotic, instance-dependent regime of high-dimensional learning dynamics that is invisible to spectral-radius analysis. Experiments on linear-quadratic problems, IQC-based comparisons, and neural-network training confirm the theory.
Authors: Ali Kayyam, Anusha Madan Gopal, M Anthony Lewis
Abstract: Transformers have become the standard solution for various AI tasks, with the query, key, and value (QKV) attention formulation playing a central role. However, the individual contribution of these three projections and the impact of omitting some remain poorly understood. We systematically evaluate three projection sharing constraints: a) Q-K=V (shared key-value), b) Q=K-V (shared query-key), and c) Q=K=V (single projection). The last two variants produce symmetric attention maps; to address this, we also explore asymmetric attention via 2D positional encodings. Through experiments spanning synthetic tasks, vision (MNIST, CIFAR, TinyImageNet, anomaly), and language modeling (300M and 1.2B parameter models on 10B tokens), we discovered that our transformers perform on par or occasionally better than the QKV transformer. In language modeling, Q-K=V projection sharing achieves 50% KV cache reduction with only 3.1% perplexity degradation. Crucially, projection sharing is complementary to head sharing (GQA/MQA): combining Q-K=V with GQA-4 yields 87.5% cache reduction, while Q-K=V + MQA achieves 96.9%, enabling practical on-device inference. We show that Q-K=V preserves quality because keys and values can occupy similar representational spaces and attention operates in a low-rank regime, whereas Q=K-V breaks attention directionality. Our results systematically characterize projection sharing as an underexplored instance of weight tying in attention, with direct, quantifiable inference memory benefits, particularly valuable for edge deployment. The code is publicly available at https://github.com/Brainchip-Inc/Do-Transformers-Need-3-Projections
URLs: https://github.com/Brainchip-Inc/Do-Transformers-Need-3-Projections
Authors: Will Savage, Logan Burnett, Dean Price
Abstract: The validation of advanced nuclear reactor designs and fuel concepts requires critical experiments with high neutronic similarity to the target technology. Neutronic similarity is quantified by the correlation coefficient $c_k$, which captures the shared bias in $k_\text{eff}$ induced by uncertainties in nuclear data. Generally, a $c_k\geq0.9$ is needed for an experiment to be sufficiently similar to a target technology. This work presents a methodology for the inverse design of critical experiments. Deep neural network surrogate modeling and nonparametric gradient optimization are used to generate experiment geometries that maximize $c_k$. A deep neural network is trained on OpenMC-calculated sensitivity vectors for grid-based critical experiment geometries. The model architecture combines a U-Net convolutional encoder-decoder with a novel multigroup attention pooling layer, introduced to capture the differing spatial dependencies of sensitivities. Multigroup attention pooling is shown to achieve better performance than traditional pooling, as well as interpretable internal behavior. The differentiability of the surrogate enables gradient-based optimization of the full combinatorial design space, allowing $c_k$ to be maximized by directly changing the material assignment of each position in the geometry grid. The method is applied to the validation of the TN-Americas TN-LC transportation cask with HALEU fuel, for which existing critical experiment coverage is limited. The optimization procedure is shown to produce experiment geometries achieving $c_k$ scores of 0.97757, 0.81324, and 0.93276 for three configurations of interest. This approach demonstrates the potential of deep learning and gradient optimization to accelerate the development of advanced nuclear technology.
Authors: Yifeng Liu, Shiyuan Zhang, Yifan Zhang, Quanquan Gu
Abstract: On-policy self-distillation, where a language model conditions on privileged context to supervise its own generations, is a promising source of dense supervision for sparse-reward reinforcement learning. Actually, it can be instantiated as an auxiliary full-vocabulary student-to-teacher reverse Kullback-Leibler divergence loss. We therefore propose SDPG, a self-distilled policy-gradient framework that combines group-relative verifier advantages with normalized standard deviation, exact full-vocabulary on-policy self-distillation, as well as reference-policy KL regularization. Empirically, SDPG improves stability and performance over RLVR and self-distillation baselines. The code is available at https://github.com/lauyikfung/SDPG.
Authors: Vasileios Sevetlidis
Abstract: Representation learning is often described as preserving the information in an input that is relevant for prediction. This work asks what relevance means for a fixed supervised decision problem. A representation is defined to be Bayes-sufficient for a joint distribution and loss if some prediction head can use it to implement a Bayes-optimal action rule. This makes the target information loss-dependent. In the almost-surely unique Bayes-action case, the relevant object is a Bayes quotient, which identifies inputs that require the same Bayes-optimal action. A representation is sufficient when it refines this quotient, and Bayes-minimal when it is informationally equivalent to it. The framework connects naturally to property elicitation: zero-one loss requires the Bayes class, squared loss the conditional mean, Brier loss the conditional probability in binary prediction, and log loss or strictly proper scoring rules the predictive distribution. Controlled finite experiments, learned neural bottleneck experiments, and a real-data iNaturalist taxonomic refinement experiment illustrate the distinction between sufficiency, minimality, and retained non-required information. For a fixed supervised problem, the distribution and the loss determine the Bayes action, the Bayes action determines the quotient, and the quotient determines the minimal information required for Bayes-optimal prediction.
Authors: Yifeng Liu, Quanquan Gu
Abstract: Training and scaling Large Language Models demand enormous computational resources, motivating both efficient sub-quadratic architectures and principled hyperparameter tuning methods. While the Maximal Update Parametrization ($\mu$P) has enabled zero-shot hyperparameter transfer for standard Transformers, its extension to linear models, particularly those with structured state transitions and complicated architectures, remains largely unexplored. By rigorously propagating coordinate-size estimates through the forward pass, gating mechanisms, and recurrent state dynamics, we derive the scaling rules for Gated Delta Network. Experiments on language-model pre-training confirm that our configurations enable stable learning-rate transfer across model widths under both AdamW and SGD, whereas standard parametrization fails to transfer, validating the correctness and practical utility of our analysis.
Authors: Liulu He, XuanAng Liu, Juntao Liu, Taolue Feng, Ting Lu, Chunsheng Gan, Zhiyv Peng, Yuan Du, Huanrui Yang, Yijiang Liu, Li Du
Abstract: Existing quantization methods are fundamentally limited by rigid, integer-based bit-widths (e.g., 2, 3-bit), resulting in a ``deployment gap" where Large Language Models cannot be optimally fitted to specific memory budgets. To bridge this gap, we introduce LiftQuant, a novel framework that enables continuous bit-width control for true Pareto-optimal deployment. The core innovation is a ``lift-then-project" mechanism which approximates low-dimensional weight vectors by projecting a simple 1-bit lattice from a higher-dimensional ``lifted" space. Crucially, the effective bit-width is determined simply by the ratio of the lifted dimension to the original dimension, which allows the bit-width to be tuned quasi-continuous as the dimension is a flexible structural parameter. This projection generates a structured yet non-uniform codebook, capturing the expressive power of Vector Quantization (VQ). While beneficial over VQ, LiftQuant's decoding path relies solely on linear transformations and 1-bit uniform quantizers, retaining hardware-friendly nature. This flexibility is transformative: LiftQuant enables a 70B LLM to be compressed to 2.4 bits to precisely fit a 24GB GPU, where its performance significantly surpasses state-of-the-art 2-bit models fitted on the same device. Our code and ckpt is available at https://github.com/Heliulu/LiftQuant.
Authors: Xian Qi Loye, Qinglin Su, Zhexin Zhang, Shiyao Cui, Qi Zhu, Fei Mi, Hongning Wang, Minlie Huang
Abstract: The evolution of LLMs into tool-enabled agents creates a new class of safety challenges associated with real-world execution rather than simple text generation. Existing alignment methods often rely on coarse refusal signals or static supervision, making it difficult to balance safety with useful tool execution across diverse agentic risks. We introduce RUBAS, a rubric-based reinforcement learning framework for agent safety. RUBAS decomposes agent behavior into four dimensions: tool-use safety, argument safety, response safety, and helpfulness. These structured rubrics provide fine-grained and interpretable rewards over complete agent trajectories, enabling reinforcement learning to optimize safe tool use while preserving task completion. Extensive experiments across multiple agent safety benchmarks and models show that RUBAS improves safety over standard alignment baselines, reduces tool-grounded hallucinations, and maintains competitive utility. Our results suggest that multi-dimensional rubric rewards provide an effective training signal for aligning LLM agents in safety-critical tool-use settings.
Authors: Eduardo Terr\'es-Caballero, Herke van Hoof
Abstract: The Boolean Task Algebra (BTA) provides a principled framework for zero-shot task composition in reinforcement learning by equipping goal-reaching tasks with Boolean operations. We revisit its structural assumptions and formalize a collapse in the space of optimal extended Q-value functions: in deterministic MDPs, every such function is fully determined by the universal and empty tasks. This makes the logarithmic set of base tasks proposed in the original BTA formulation redundant. Building on this observation, we introduce a goal-set-based composition method that performs logical operations on goal sets and reconstructs composed value functions by selecting slices from the universal and empty value functions. This reduces learning costs for standard BTA and reduces composition time for both BTA and Skill Machines, while preserving policy performance. Experiments across tabular, visual, function-approximation, and continuous-control domains show that learning additional base tasks does not yield better performance. Finally, we study the stochastic setting and provide a counterexample showing that this collapse need not hold, that is, optimal composition may require accounting for exponentially many policies in the number of goals. Code is available at https://github.com/EduardoTerres/bta_paper.
Authors: Gagik Magakyan, Pablo Parrilo, Asuman Ozdaglar
Abstract: Orthonormalized update rules have rapidly become a leading choice of optimizer for training large language models, with recent open-source state-of-the-art models adopting Muon. To keep these updates tractable, Muon performs the orthonormalization with the Newton--Schulz (NS) iteration. Since NS is only approximate, directions with small singular values fail to be orthonormalized. In Muon, NS is applied to the momentum matrix at every step, yet little is known about how the singular value spectrum of these momentum matrices behaves during training, or how that behavior changes with model size. We present the first systematic study of this question. Tracking singular value quantiles of the momentum buffer across layers in models ranging from 77M to 2.8B parameters, we observe a consistent picture: after a short burn-in, the quantiles stabilize at a value determined by the layer type and model size. These stabilization values follow remarkably clean power laws in model size, with layer-dependent exponents. Layers up to mid-late depth scale very mildly with model size $M$ (around $M^{-0.25}$), so the standard 5-step NS configuration used at academic scale will continue to orthonormalize them at much larger scales. Some of the late layers, however, scale much more aggressively (up to $M^{-0.96}$) and will fall into the NS failure regime at frontier scale unless one uses more NS iterations or better-tuned coefficients. NS iterations are computationally expensive at scale; our laws give practitioners a principled, layer-aware recipe for choosing the minimum NS configuration that still orthonormalizes the directions that matter -- avoiding unnecessary computation without sacrificing update quality.
Authors: Hoang-Loc La, Truong-Thanh Le, Amir Taherkordi, Phuong Hoai Ha
Abstract: Deploying large language models (LLMs) is challenging due to their significant memory and computational requirements. While some methods address this by developing small or tiny language models from scratch, these approaches demand extensive GPU training. Compressing pre-trained LLMs for edge devices offers a compelling alternative. Beyond pruning and quantization, Neural Architecture Search (NAS) enables effective compression, yet prior NAS approaches often limit the search space and decouple architecture from quantization. We introduce a differentiable NAS framework that explores the entire space and jointly optimizes architectural configurations alongside mixed-precision quantization for linear layers of LLMs. Experiments demonstrate superior accuracy-latency trade-offs: our models achieve up to 1.4x faster inference than sequential NAS-then-quantization baselines at comparable accuracy, or up to 6% higher average accuracy across seven reasoning tasks at equivalent latency.
Authors: Xiancheng Wang, Zhibo Zhang, Ran Li, Rui Wang, Minghang Zhao, Shisheng Zhong, Lin Wang
Abstract: This paper proposes a two-stage pseudo anomaly-guided anomaly detection method (\textbf{T}wo-stage \textbf{P}seudo \textbf{A}nomaly-guided \textbf{A}nomaly \textbf{D}etection, \textbf{TPA-AD}) for axle-box bearing time-series anomaly detection (time series anomaly detection, TSAD) under the setting where only normal samples are available for training. The method first generates pseudo-anomalous windows near the normal boundary using a reconstruction model and per-feature target-error control. It then learns anomaly-sensitive representations through contrastive learning between normal and pseudo-anomalous windows, and finally produces window-level and point-level anomaly scores using k-nearest neighbors (KNN). Compared with existing methods that rely on known fault categories, real anomaly priors, or random anomaly injection, TPA-AD improves the separability of the normal boundary by constructing pseudo-anomalies in boundary neighborhoods and can jointly handle continuous and discrete features in mixed-variable scenarios. The main experiments are conducted on bearing fault detection datasets and degradation-process datasets, with an additional exploratory extension on $13$ public TSAD datasets. The results show that the proposed method yields relatively stable anomaly responses, is sensitive to degradation evolution, and demonstrates a certain degree of broader applicability on public TSAD benchmarks and real high-speed-train-related bearing data.
Authors: Federico Zucchi, Yi Xie, Chao Zhang, Keyuan Luo, Thomas Lampert, Ziyue Li
Abstract: Adaptive patching is a recent and compelling proposal for time-series Transformers: allocate finer patches where the sequence looks locally informative. This paper asks under what conditions a content-adaptive patching operator should outperform a tuned uniform one. Local heterogeneity alone is not enough: under pointwise forecasting losses, a complex-looking region is not automatically one where finer patching reduces the loss. We model patching as a budgeted bitrate allocation and derive an explicit threshold that a dynamic patching rule must satisfy to beat a well-tuned uniform baseline, then bound the achievable improvement both locally (a quadratic surrogate) and globally (a strong-convexity bound under the model's assumptions). Two structural results follow: without a coupling constraint, scalar local complexity cannot produce a non-uniform optimum under a common loss landscape; and once the backbone is trained to its representation-aware optimum, the alignment gain collapses around a well-tuned uniform patch size. To test these predictions, we run a controlled isolation study on three representative architectures, replacing each adaptive mechanism with a uniform patch-size sweep while keeping the backbone, data, and training protocol fixed. On standard long-horizon forecasting benchmarks, the validation-selected uniform baseline is competitive with the dynamic counterpart, with per-setting effects concentrated near zero and no consistent directional advantage once results are aggregated by dataset. The larger gains we do observe are method- and dataset-specific. Adaptive patching should therefore be evaluated against a tuned uniform baseline; its value depends on whether a cheap and reliable routing signal can identify where finer patches actually reduce forecasting loss.
Authors: Wei Liu, Xinyi Mou, Hanqi Yan, Zhongyu Wei, Yulan He
Abstract: Reinforcement learning (RL) has become a dominant post-training paradigm, enabling large language models (LLMs) to learn from rewards. We observe that societal regulations are structurally similar to reward functions. They define measurable outcomes, thresholds, and exceptions, while often leaving institutional intent only partially specified. We hypothesise that the RL training process may exploit these gaps and therefore ask whether models' well-known tendency to hack reward functions during RL can scale into a more consequential failure mode named societal hacking: discovering loopholes in the rules society runs on. To study this phenomenon, we introduce SocioHack, a sandbox of 72 societal environments, and find that within these environments, reward hacking naturally emerges and leads to regulatory loophole discovery. Models learn to hack the social rules and generate strategies that remain technically compliant while defeating regulatory intent, and current LLM safeguards provide only limited mitigation. Therefore, collecting in-the-wild feedback for model training requires greater caution, and we need a next-generation post-training paradigm for safely iterating LLMs in real society.=
Authors: Joanna Zou, Fraser Birks, Dallas Foster, Youssef Marzouk
Abstract: Machine learning interatomic potentials (MLIPs) enable efficient and accurate atomistic simulations but depend critically on the quality and diversity of the training data. We introduce Stein kernelized molecular dynamics (SKMD), an enhanced sampling method that uses interacting particle dynamics to acquire informative training configurations for the active learning and fine-tuning of MLIPs. SKMD corresponds to a stochastic variant of Stein variational gradient descent that is adapted for molecular dynamics by incorporating asynchronous particle updates and a kernel of global atomic descriptors, which provides a symmetry-aware measure of configurational similarity. Unlike other enhanced samplers used in molecular dynamics, SKMD preserves the Boltzmann distribution as the asymptotic distribution of the dynamics. This property enforces a balance between the exploration of diverse configurations and attraction toward high-probability regions of the energy landscape. We further propose an approach to efficient online data acquisition using an adaptive stopping criterion that selects non-redundant training data over the course of simulation. We demonstrate SKMD for the active learning of a neural network model of the M\"uller-Brown potential and the fine-tuning of a MACE interatomic potential for alanine dipeptide. Compared to active learning baselines, our method achieves higher model accuracy in fewer training iterations with the same number of acquired training samples.
Authors: Ulbert Jose Botero, Liam Smith, Brooks Olney, Pooya Khorrami, Steven Kusiak, Watson Jia, Sage Trudeau, Daniel Capecci
Abstract: Foundation models achieve generalization through massive-scale training on diverse data, but have limitations with transfer to truly unseen domains without paired training data. We propose principle-driven foundation models that encode signal-theoretic principles (Fourier decomposition, energy conservation, symmetry) rather than learn untethered statistical correlations. We hypothesize that domains differ not in fundamental physics, but in learnable transformations in time, frequency, magnitude, or phase. Training exclusively on radio-frequency (RF) data with co-designed architecture and losses incorporating these principles, we achieve cross-modal transfer to audio, images, text, and video using only frozen representations learned from RF data, requiring no fine-tuning of the encoder on target domains. Our 1.99M parameter frozen encoder achieves 77.7% average accuracy (91.9% top-3) across 15 diverse tasks via linear probing, with systematic variation: 84.5 on physically-grounded tasks (speaker recognition, seismology, RF fingerprinting) versus 70.0% on semantic tasks (music genre, language recognition). This reveals that principle-driven and scale-driven approaches offer complementary paths: physical principles enable efficient cross-modal transfer while naturally establishing the boundary between physical and semantic understanding.
Authors: Neeti Pokharna, Olivier Jeunen, Yatharth Saraf, Aleksei Ustimenko
Abstract: Online evaluation of ranking and retrieval systems often relies on downstream monetization metrics such as app revenue or creator earnings. These metrics are typically heavy-tailed, with a small fraction of users dominating both mean and variance, leading to low statistical power and unreliable conclusions in A/B experiments -- especially under limited traffic. We present a practical framework for variance reduction in online experiments by combining post-stratification with CUPED. Our approach leverages pre-experiment covariates to improve the sensitivity of monetization experiments without requiring additional traffic. Deployed at ShareChat across ranking-driven monetization experiments, the method substantially reduces variance and improves decision stability, achieving equivalent statistical confidence with ~45\% less traffic than standard metrics. We further discuss practical design choices, guardrails, and limitations, providing guidance on when post-stratification is appropriate for real-world information retrieval and Recommendation systems.
Authors: Giuseppe Franco, Ian Colbert, Pablo Monteagudo-Lago, Felix Marty, Nicholas Fraser
Abstract: Quantizing large language models (LLMs) to low-precision floating-point representations is central to efficient deployment, yet applying a single bit-width uniformly across all layers is sub-optimal in terms of both performance and accuracy. This work introduces dMX, a differentiable mixed-precision quantization framework for learnable floating-point bit-width assignment. We study its application for the microscaling floating-point (MXFP) family of data types defined by the Open Compute Project (OCP) standard. The per-layer bit-width assignment is formulated as a continuous optimization problem in which each layer's floating-point format format is parameterized by a scalar parameter, folding the multi-variate design space into a single learnable offset. During training this offset takes continuous values, avoiding sudden oscillations between discrete quantization formats. A temperature-based annealing schedule progressively discretizes the learned offsets, ensuring that the final configuration maps to hardware-compatible MXFP formats without abrupt transitions between training and inference behavior. A target-aware regularization term steers the average bit-width toward a user-specified budget, serving as a coarse-grained proxy for inference cost and balancing model quality against deployment efficiency. We performed experiments on different families of LLM, such as Llama, Qwen3, and SmolLM2, evaluating perplexity on WikiText-2 and accuracy on four zero-shot reasoning benchmarks. Across these settings, dMX consistently yields Pareto-dominating models and improves over Kullback-Leibler (KL) divergence-based layer-selection heuristics, efficiently navigating trade-offs between model quality and average bit-width.
Authors: Shiqiao Zhou, Holger Sch\"oner, Zipeng Wu, Edouard Fouch\'e, IAG Wilson, Shuo Wang
Abstract: Time series forecasting relies on historical patterns, but real-world series often exhibit non-stationarity and regime shifts that challenge fully parametric forecasters. Inspired by Retrieval-Augmented Generation (RAG), recent work augments forecasters by retrieving relevant historical segments and using them as external evidence at inference time. However, due to the intrinsic non-stationarity of real-world time series, a highly similar past segment does not necessarily imply a similar future, rendering similarity-only retrieval brittle and prone to redundancy. We propose Stationarity-Aware Retrieval-Augmented Time Series Forecasting (SARAF), a framework that adaptively balances relevance and diversity in retrieval. SARAF first forms a candidate pool via temporal similarity with time-aligned enhancement, then applies a diversity-aware selection strategy to cover heterogeneous historical regimes, with the diversification strength automatically modulated by dataset-level stationarity. Moreover, SARAF uses stationarity-aware aggregation to fuse the retrieved futures. Extensive experiments on eight real-world datasets show that SARAF achieves competitive forecasting performance and improves average accuracy and robustness over strong baselines, with particularly clear benefits under challenging non-stationary settings. Code: https://github.com/ShiqiaoZhou/SARAF.
Authors: Tewodros Syum Gebre, Jagrati Talreja, Leila Hashemi-Beni
Abstract: Accurate flood forecasting is essential for mitigating disaster risks and protecting communities. However, purely data-driven machine learning models often struggle in data-scarce environments and may violate fundamental hydrological principles. Standard Long Short-Term Memory (LSTM) networks can generate physically inconsistent predictions, particularly when extrapolating to extreme weather conditions. To address these limitations, we propose a Physics-Informed Machine Learning (PIML) framework that incorporates hydrological knowledge directly into the loss function of an LSTM model. Specifically, a Trend Alignment constraint penalizes directional inconsistencies between precipitation and discharge trends, improving model robustness without requiring complex hydrodynamic equations. This regularization encourages the model to learn physically plausible hydrograph behavior, even with limited training data, while enhancing reliability during peak flood events. Experimental results show that the proposed physics-informed model outperforms a standard LSTM baseline in data-scarce settings, increasing the Nash-Sutcliffe Efficiency (NSE) from 0.20 to 0.23 when trained on only 5% of the available data. Additional stress tests under simulated extreme climate scenarios demonstrate that the baseline model exhibits unstable behavior, whereas the physics-informed model maintains directional consistency and physical plausibility. Although accurately predicting extreme peak magnitudes remains challenging with limited data, the proposed approach substantially reduces unphysical fluctuations common in purely data-driven models. These findings demonstrate that simple physical constraints can significantly improve the reliability of deep learning models for real-time flood forecasting, offering a practical solution for ungauged basins and evolving climate conditions.
Authors: Guilin Zhang, Chuanyi Sun, Shahryar Sarkani, John M. Fossaceca
Abstract: Cloud LLM fine-tuning platforms increasingly serve RLHF workloads, where a learned reward model is optimized as a proxy for human quality. As Gao et al. (2023) showed, this proxy diverges from world feedback (downstream eval metrics) under sustained optimization pressure, a phenomenon known as reward overoptimization. Existing platform schedulers ignore this divergence: non-clairvoyant schedulers optimize JCT without any quality signal, SLAQ-style quality-aware schedulers use training loss (a weaker proxy that drops monotonically through hacking), and classical per-job early stopping requires human monitoring and does not free shared GPUs. We propose EvalStop, a composable scheduling primitive that terminates jobs on k consecutive eval-score declines, releases GPUs, preserves the best checkpoint, and delegates to any base scheduler. We frame scheduler-level early stopping as a detection problem and evaluate it in a discrete-event simulator whose RLHF workload mixes reward-hacking and structurally healthy runs, with ground-truth labels hidden from schedulers. On RLHF-heavy workloads (80% RLHF, 64 GPUs), EvalStop achieves precision 98% / recall 99% / FPR 1.5% while improving JCT by 9% and cutting wasted compute by 22% over SRTF-Est (p<0.05). Trivial fixed-progress and loss-plateau competitors either incur 65% FPR on healthy RLHF or miss over half of true hacking cases. Gains compose across every base scheduler tested (9-25% JCT) and detection quality stays stable under eval noise (precision at least 91% at noise std <= 0.05) and hacking base rate (precision at least 89% across 20-80% hacking fractions).
Authors: Tyler Crosse, Alan Nadelsticher Ruvalcaba, Dustin Khang LeDuc, Thomas Trask, Nicholas Lytle, David Joyner
Abstract: Different predictors often excel on different inputs, so picking the best one per instance promises higher accuracy than committing to a single model. In practice, selectors trained from logged data routinely fail to beat the strongest single predictor. Three causes typically go unseparated before more tuning is applied: a mismatched learner, a state that does not predict which model wins, or buffer-to-deployment label shift. A three-stage diagnostic rules them out on a shared buffer. Stage~1 estimates a local ceiling on oracle recovery from $k$-NN label consistency. Stage~2 asks whether paired BC and offline-RL learners (BC, DQN, and CQL across penalty weights) reach that ceiling. Stage~3 ablates the selector state to test whether richer features would raise it. The combined verdict points to the most promising next step: tuning the learner, redesigning the state, or collecting new data. We apply it to selecting among five dropout-prediction models on edX clickstream data. Across 16 windows, the oracle beats the strongest single base model by 9.7 accuracy points on average, yet BC, DQN, and CQL land in the same test-accuracy band below it (robust to a tenfold buffer sweep and $N{=}2{,}000$ held-out examples). The bottleneck is local representational ambiguity: CQL closes the imitation gap without a deployment gain (not conservatism), regret clusters tightly across learners (not tie-breaking), and the three learners converge on test accuracy (not shift). The next iteration should change the state or collect new data, not tune the offline learner further.
Authors: Sotirios Vavaroutas, Yu Yvonne Wu, Ali Etemad, Cecilia Mascolo
Abstract: Data samples used for training often differ from those encountered during fine-tuning and deployment, and while ML models show promise, their performance remains limited when only small annotated datasets are available. Performance often degrades under distribution shifts caused by diverse sensors, populations, and application settings. Although pre-training helps, models frequently encounter out-of-distribution (OOD) data in real-world settings, leading to reduced robustness. Existing adaptation methods usually assume fixed distribution shifts and struggle when multiple types or severities occur. In particular, they overlook shift severity, for example treating adaptation to a large familiar dataset the same as adaptation to a small dataset with a new task, which limits generalisation. To address this, we propose ADAPTOOD, a novel framework that leverages data uncertainty to quantify distribution shift severity and guide fine-tuning for time series. This uncertainty measures how strongly samples from the target deployment distribution deviate from the pre-training distribution, providing a direct signal of OOD severity. Our framework combines this uncertainty with low-rank model updates and adaptive hyperparameter optimisation to improve adaptation. We show that ADAPTOOD achieves up to 7% higher accuracy and 12.9% higher precision than existing methods in OOD tasks, maintaining strong performance as distribution shift severity increases.
Authors: Dimitris Michailidis, Sennay Ghebreab, Fernando P. Santos
Abstract: We tackle the Metro Network Expansion Problem (MNEP), a subset of the Transport Network Design Problem (TNDP), which focuses on expanding metro systems to satisfy travel demand. Traditional methods rely on exact and heuristic approaches that require expert-defined constraints to reduce the search space. Recently, deep reinforcement learning (Deep RL) has emerged due to its effectiveness in complex sequential decision-making processes-it remains, however, computationally expensive, environmentally costly, and requires additional engineering to interpret. We show that MNEP problems are small enough to not require Deep RL methods. Reformulating the MNEP as a Non-Markovian Rewards Decision Process (NMRDP), we use tabular RL to achieve similar performance with significantly fewer training episodes, additionally offering greater interpretability. Additionally, we incorporate social equity criteria into the reward functions, focusing on efficiency and fairness, highlighting the versatility of our method. Evaluated in real-world settings-Xi'an and Amsterdam-our method reduces total episodes by a factor of 18 and total carbon emissions by a factor of 12 on average, while remaining competitive with Deep RL. This approach offers a replicable, modular, interpretable, and resource-efficient solution with potential applications to other combinatorial optimization problems.
Authors: Bochen Lyu, Yiyang Jia, Xiaohao Cai, Zhanxing Zhu
Abstract: Safety alignment in large language models (LLMs) is fragile in part because it is often shallow: fine-tuning mainly reshapes the model's behavior near the first few output tokens. We argue that this phenomenon can be understood through autoregressive consistency, the tendency of next-token prediction to preserve and extend the current response trajectory consistently. By analyzing the learning dynamics of safety alignment, we show that autoregressive consistency can concentrate alignment updates on early tokens, offering a mechanistic explanation for shallow safety alignment. The same mechanism also predicts a broader class of attacks on LLMs: attacks that induce harmful continuation states at arbitrary positions in the output trajectory. As a concrete example, we introduce random insertion attack, which inserts a short harmful span into an otherwise safe refusal trajectory and exploits autoregressive consistency to sustain the resulting harmful branch, thereby bypassing safety alignment. Notably, a short harmful span can redirect the generation to be harmful even after a long refusal prefix, highlighting autoregressive consistency as a potential broader failure mechanism. This suggests that safety alignment should also break harmful autoregressive consistency throughout the output trajectory. We therefore propose adversarial safety alignment, an initial framework based on worst-case harmful continuation states, and instantiate it with random worst-insertion training. Overall, our results suggest that autoregressive consistency should be treated as a central consideration in both safety alignment and attack design.
Authors: Jiayi Wang, Raymond K. W. Wong
Abstract: We study a distributional generalization of the matrix completion problem in which each entry of the target matrix is a probability distribution rather than a scalar. In this setting, only a subset of matrix entries is observed, and even for observed entries, the underlying distributions are not directly accessible; instead, we observe finitely many samples drawn from them. To represent distributional entries, we employ kernel mean embeddings and introduce a notion of Tucker rank for distribution-valued matrices to capture their low-rank structure. The infinite-dimensional nature of kernel embeddings poses significant methodological challenges. To address this, we introduce functional unfolding operators that link the proposed distributional low-rank structure to the classical Tucker rank for finite-dimensional tensors. Based on this framework, we propose a novel estimator for distributional matrix completion. We establish non-asymptotic error bounds that characterize the statistical performance of the estimator. Extensive experiments on synthetic data and a real-world application demonstrate the effectiveness of the proposed method.
Authors: Youqi Wu, Mohammad Jalali, Farzan Farnia
Abstract: Vision-language foundation models such as CLIP and SigLIP provide widely used representations for multimodal learning systems. While these models are typically compared through downstream performance, such evaluations often do not explain how their representations differ structurally. In this work, we study this problem through the task of Contrastive Embedding Clustering: identifying sample subsets that are weakly clustered under one representation but strongly clustered under another. We propose \emph{Kernel Optimization for Discrepancy Analysis (KODA)}, a kernel-based framework for contrastive representation comparison and alignment. KODA constructs unified multimodal kernels through modality-wise kernel composition and formulates discrepancy discovery as a constrained optimization problem that searches for coherent structures in one representation while suppressing coherence in a reference representation. This yields interpretable discrepancy directions associated with specific sample subsets and modality interactions. To scale KODA to large vision-language datasets, we develop randomized low-dimensional approximations of joint kernels using random projections, including Random Fourier Features for shift-invariant kernels. Empirically, KODA identifies consistent and interpretable discrepancy structures across vision-language representations and provides sample subsets for representation alignment. The code is available at https://github.com/yokiwuuu/KODA.
Authors: Thanh Nguyen-Tang, Raman Arora
Abstract: We formulate the problem of \emph{exact unlearning} in reinforcement learning, where the goal is to design an efficient framework that enables the removal of any user's data upon deletion request, i.e., the online learner's output after unlearning is \emph{indistinguishable} from what would have been produced had the deleted user never interacted with the learner. For any $\rho >0$, we show that there exists a reinforcement learning (RL) algorithm that is $\rho$-TV-stable and supports an exact unlearning procedure whose expected computational cost is only a $\rho \sqrt{\ln T}$ fraction of the computational cost of retraining from scratch. We construct such a $\rho$-TV-stable RL algorithm for tabular Markov decision processes (MDPs), which achieves a regret bound of $\mathcal{O}(H^2 \sqrt{SAT} + H^3 S^2 A + {H^{2.5} S^2 A}/{\rho})$, where $S, A, H$, and $T$ denote the number of states, the number of actions, the episode horizon, and the number of episodes, respectively. We also establish a lower bound of $\Omega(H\sqrt{\!SAT}\! +\! {SAH}/{\rho})$ for $\rho$-TV-stable RL algorithms, showing that our algorithm is nearly minimax optimal.
Authors: Alexey Zemtsov, Maxim Bobrin, Alexander Nikulin, Dmitry V. Dylov, Fakhri Karray, Vladislav Kurenkov, Martin Tak\'a\v{c}, Arip Asadulaev
Abstract: Offline goal-conditioned reinforcement learning requires both long-horizon reachability estimates and local action comparisons. Dual goal representations provide value fields that capture global goal reachability, but they do not directly specify which action should be preferred at a given state. We propose Dual Advantage Fields, a policy-extraction method that turns a bilinear dual value model into a local advantage signal. Under bilinear dual parameterization, the goal embedding is the gradient of the value field with respect to the state representation. DAF learns an action-effect model that predicts the discounted feature displacement induced by an action and scores actions by the alignment between this displacement and the goal direction. In the realizable case, this score equals the goal-conditioned Bellman advantage, yielding a standard local policy-improvement guarantee. On OGBench locomotion, manipulation, and puzzle tasks, DAF improves aggregate RLiable metrics and performs strongly in settings where locally correct actions differ from direct movement toward the final goal.
Authors: Cen Lu
Abstract: We describe our approach to the CTF4Science Lorenz challenge, a benchmark that mixes short-horizon forecasting, long-time distribution matching, and trajectory reconstruction across nine task pairs. The key discovery is that no single model family dominated all metrics. Instead, we built a metric-aware hybrid system that assigned a different predictor to each metric family: (1) synthetic-pretrained denoisers for full-trajectory reconstruction, (2) Lorenz ODE fitting and trajectory shooting for the first 20 forecast steps, and (3) histogram-tail substitution using synthetic Lorenz libraries for long-time evaluation. A representative mature submission from this system family scored 83.83551 on the public leaderboard, and a small follow-up stack of the same ideas reached 83.85529. We focus on the cleaner intermediate system because it captures the full method while remaining simple enough to reproduce and analyze, while the final submission can be understood as a conservative extension of the same backbone.
Authors: Christian Lysenst{\o}en
Abstract: Retrieving the few past turns that answer a new query across long multi-session histories is the retrieval bottleneck behind long-term conversational memory (LoCoMo, LongMemEval). Recent concurrent work, Nano-Memory, shows that scoring a session by the maximum query-turn similarity (late interaction, "Turn Isolation Retrieval") beats mean-pooled session embeddings. We do not claim that effect; we replicate it and ask what a training-free, CPU-only retrieval stage should add around it. We report four findings. (1) Fuse: score-level fusion of the late-interaction dense score with BM25, under a single leave-one-conversation-out weight, adds +8.8 to +17.2 points of LoCoMo Hit@1 over late interaction alone across six encoders (all p<1e-4), reaching Hit@1 0.752 / NDCG@5 0.829 (e5-large-v2), +11.2 pp over BM25. (2) An off-the-shelf web-search cross-encoder reranker over the fused top-10 hurts here, degrading Hit@1 by 6.9 pp (one reranker, one configuration). (3) A pooling-operator ablation shows top-k late interaction matches max-similarity, but a naive smooth-max (log-sum-exp) collapses for half the encoders. (4) The late-minus-early gap is large for all six encoders and tends to be larger for larger ones, while the marginal fusion gain shrinks; on LongMemEval-S, a lexical regime where BM25 saturates, the net fusion gain over BM25 is small and not significant. A per-category analysis frames the gain as a division of labor: dense late interaction helps most on multi-hop and temporal questions but trails BM25 on adversarial ones. The contribution is a controlled, reproducible account of a strong training-free retrieval recipe, not the late-interaction retriever itself (Nano-Memory's). We make no claim to a complete memory architecture; this is a retrieval-stage study.
Authors: Ioanna Gemou, Matteo Gamba, Randall Balestriero, Ritambhara Singh
Abstract: Counterfactual explanations seek small, semantically meaningful changes to an input that alter a model's prediction, and are widely used to interpret and audit machine learning systems. In modern vision, language, and multimodal systems, pretrained encoders map inputs to representation spaces, and downstream classifier heads impose decision boundaries within those spaces. As a result, the feasibility and distance of nearby counterfactuals depend on boundary placement relative to the data. Yet models with similar predictive performance can differ substantially in whether such changes are achievable and how far representations must move. This work examines this variation using a standardized local search probe across several pretrained encoders and linear classifier heads. Results show that despite similar predictive performance, models differ substantially in their counterfactual behavior. Under fixed representations, varying only the classifier head alters counterfactual outcomes while leaving predictive performance largely unchanged. This variation is explained by the interaction of decision-boundary proximity and local data support, which jointly determine whether prediction changes are both feasible and lie in regions supported by the data, and can also improve counterfactual search within fixed models. Together, these findings identify counterfactual behavior as a distinct dimension beyond predictive performance and show that it can be altered without changing accuracy, with implications for model selection, robustness, and the reliability of counterfactual methods.
Authors: Shauna Kwag, Anakha Ganesh, Tomaso Poggio, Pierfrancesco Beneventano
Abstract: Existing analyses of the edge of stability (EoS) treat it as a global property of optimization. We show that it is also selective: the stability constraint redistributes learning across subsets of the training distribution, amplifying progress on some groups while suppressing progress on others. Using a branching intervention that enters or exits the EoS regime from the same training state, we causally demonstrate this trade-off and identify two necessary conditions for a group to benefit. First, its aggregate gradient must align with the top Hessian eigenvector. We isolate this mechanism with a controlled perturbation that preserves distance but randomizes direction, destroying alignment and eliminating the advantage. Second, the group must sustain non-vanishing gradient magnitude over time. Under cross-entropy loss, gradient saturation decouples confidently classified groups, shifting the advantage to output-outliers, whose gradients persist. Together, these results show that EoS functions not only as a stability boundary, but as a mechanism governing the allocation of learning across the data distribution.
Authors: Devleena Das, Rajeev Patwari, Elliott Delaye, Ashish Sirasao
Abstract: Aggressive weight quantization to 2-bit precision offers substantial throughput and memory gains for large language model (LLM) inference, but typically incurs severe accuracy degradation. These gains are particularly relevant for edge and on-device deployment, where memory capacity and bandwidth are primary constraints. In this work, we extend Recover-LoRA -- a lightweight, data-free accuracy recovery method originally developed for general model weight corruption -- to the setting of ultra-low-bit quantization. We propose a selective mixed-precision strategy in which only gate and up projection layers of the MLP are quantized to 2-bit (W2), while all other linear layers remain at higher precision, yielding a mixed-precision GateUp configuration. We demonstrate via roofline analysis across three model families (4B--20B) and two hardware platforms that a W4/W2-GateUp deployment (4-bit base with 2-bit gate/up) delivers 7.5--23.3\% TPS improvement over uniform W4 depending on model and context length, while confining quantization error to a predictable subset of layers. We then apply Recover-LoRA -- training low-rank adapters on the quantized layers via logit distillation with synthetic data -- to recover accuracy lost from 2-bit quantization of the gate and up layers. In a case study on Qwen3-4B, Recover-LoRA achieves 80--95\% accuracy recovery on 9 of 12 benchmarks, using only 10k synthetic training samples and no labeled data. We further demonstrate that synthetic data performs comparably to curated labeled data for distillation-based recovery, and that recovery generalizes to out-of-distribution evaluation tasks. Our results present Recover-LoRA as a practical post-quantization accuracy recovery tool for aggressive weight compression in deployment settings.
Authors: Rachit Bansal, Clara Mohri, Tian Qin, David Alvarez-Melis, Sham Kakade
Abstract: The standard LLM training pipeline applies reinforcement learning (RL) only after pre-training and supervised fine-tuning (SFT). We question this status quo by training a LLM from scratch and applying RL, SFT, and SFT followed by RL directly to intermediate pre-training checkpoints. We find that RL is effective very early, and often matches the full SFT$\to$RL pipeline early as well. Through experiments on harder problems, we find that targeted pre-training data composition is a strong lever for RL effectiveness, even more so than model scale. Beyond reasoning accuracy, applying RL directly to base checkpoints expands the model's distribution; the sharpening effect reported in recent work arises only when RL follows SFT. The general capabilities of the model remain essentially unchanged by RL, while they degrade following SFT. Finally, we merge RL and SFT objectives by parallel averaging, which outperforms across all other training methods discussed, across metrics, while preserving general capabilities. Together, these results suggest that LLM training might benefit from an expanded use of RL.
Authors: Saket Tiwari, Tejas Kotwal, George Konidaris
Abstract: We present a novel theoretical framework for deep reinforcement learning (RL) in continuous environments by modeling the problem as a continuous-time stochastic process, drawing on insights from stochastic control. Building on previous work, we introduce a viable model of actor-critic algorithm that incorporates both exploration and stochastic transitions. For single-hidden-layer neural networks, we show that the state of the environment can be formulated as a two time scale process: the environment time and the gradient time. Within this formulation, we characterize how the time-dependent random variables that represent the environment's state and estimate of the cumulative discounted return evolve over gradient steps in the infinite width limit of two-layer networks. Using the theory of stochastic differential equations, we derive, for the first time in continuous RL, an equation describing the infinitesimal change in the state distribution at each gradient step, under a vanishingly small learning rate. Overall, our work provides a novel nonparametric formulation for studying overparametrized neural actor-critic algorithms. We empirically corroborate our theoretical result using a toy continuous control task.
Authors: Eike S. Eberhard, Luca A. Thiede, Abdul Aldossary, Andreas Burger, Nicholas Gao, Vignesh Bhethanabotla, Al\'an Aspuru-Guzik, Stephan G\"unnemann
Abstract: Machine-learned (ML) exchange-correlation (XC) functionals aim to replace human-designed density functional approximations by learning directly from reference data, but they still do not consistently outperform traditional $\mathcal{O}(N^4)$-scaling hybrid functionals. We study a hybrid-distillation setting in which $\mathcal{O}(N^3)$-scaling ML-XC functionals are trained to reproduce B3LYP/def2-SVP targets. We introduce Derivative Informed XC-Loss (DI-Loss), a loss that incorporates additional information from the reference hybrid functional by supervising first and second derivatives of the energy on the Grassmannian of admissible density matrices. Rather than only matching the self-consistent fixed point, DI-Loss aligns the local first- and second-order response of the learned functional with that of the target functional. Across four evaluated architectures, DI-Loss consistently improves the main energy metrics. Averaged uniformly across architectures, the total-energy MAE decreases by 66% relative to energy and density supervision alone. The density-sensitive mean-field energy metric $E_\rho$ improves from $1.2$ to $0.8$ mEh on average, while dipole and $\mathcal{L}_2$ density errors do not improve uniformly. We further show that densities from the distilled functionals reduce hybrid-functional SCF iterations by up to 50%. In downstream TDDFT calculations, Hessian supervision improves excited-state predictions, with XCdiff reducing the mean excitation-energy MAE by 19 - 35%.
Authors: Justinas Zaliaduonis, Patrick Putzky, Till Richter, Sergios Gatidis
Abstract: Contrastive learning has become a leading paradigm for self-supervised representation learning, yet the conditions under which it recovers meaningful latent geometry remain incompletely understood. We develop a measure-theoretic framework formalizing the diversity condition, a support requirement on positive-pair sampling that is necessary for isometric latent recovery. We show that the standard full-support von Mises-Fisher setting implies the satisfaction of the diversity condition and as a consequence global contrastive loss minimizers recover latent geometry up to orthogonal transformation, while restricted conditionals can make non-orthogonal maps attain strictly lower asymptotic contrastive loss. We introduce a support-corrected Information Noise Contrastive Estimation (InfoNCE) variant as a theoretical fix: this correction makes orthogonal latent space recovery achievable but does not uniquely select it. Experiments on synthetic benchmarks validate the identifiability predictions, and CIFAR-10 experiments are consistent with the qualitative prediction that architectural inductive bias becomes more important when sampling diversity is limited. Together, our results clarify how sampling mechanisms and encoder inductive bias interact in contrastive representation learning.
Authors: Yifan Wang, Jinyi Mu, Mayank Jobanputra, Yu Wang, Ji-Ung Lee, Soyoung Oh, Isabel Valera, Vera Demberg
Abstract: Preference modeling plays a central role in reinforcement learning from human feedback (RLHF), enabling large language models (LLMs) to align with human values. However, most existing approaches assume a universal reward function, neglecting the diversity and heterogeneity of human preferences. To address this limitation without additional annotation costs, recent work has proposed learning multiple preference components from binary data and combining them to model individual preferences. Nevertheless, these components often fail to capture coherent and disentangled patterns, limiting their interpretability and effectiveness for personalization. In this work, we propose a sparse Mixture-of-Experts (MoE) reward model that encourages sparse routing and expert diversity during training on binary preference data. Across controlled and real-world experiments, sparse MoE learns interpretable routing patterns and specialized experts. It also improves test-time personalization, and post-adaptation shifts in expert weights provide a qualitative lens for analyzing how the model adapts to personalized preferences.
Authors: Alessio Barboni, Massimiliano Lupo Pasini, Bishal Lakha, Edoardo Serra
Abstract: Generating realistic and diverse graphs is a key problem in machine learning, with applications in molecular discovery, circuit design, cybersecurity, and beyond. However, current graph generative models remain limited by scalability and novelty. Diffusion-based methods often require costly full-adjacency operations and long denoising chains, while many autoregressive and hybrid models have at least quadratic complexity. In addition, these models often imitate training graphs rather than generalize beyond them. We propose a lightweight autoregressive framework to address these issues. It uses a structure-guided topological ordering to serialize graphs into regular edge sequences, enabling near log-linear generation, and a two-phase training strategy that combines exploration-oriented augmentation with iterative refinement to reduce overfitting and promote controlled novelty. Experiments on molecular and non-molecular benchmarks show that our approach improves novelty while preserving high validity and uniqueness. The framework also supports both LSTM and Mamba-style causal sequence backbones, with large-memory accelerators enabling longer graph-sequence experiments beyond typical GPU limits.
Authors: Ismail Hassaballa, Mircea Lazar
Abstract: Hybrid models that combine physics-based and data-driven components have shown strong potential for achieving accuracy and interpretability in control applications. While recent methods have made progress in incorporating physical consistency, challenges remain in scalability, robustness to noise, and control of model complexity. This paper proposes a Physics-Encoded Modular Hybrid Layer (PE-MHL) framework, in which a baseline physics-based model is incrementally refined through the addition of new sub-models, where each new component adds complexity while preserving what previous components have already learned. We establish a theoretical guarantee for this construction: with a least-squares initialization of each new sub-model, the training error is monotonically non-increasing in the number of sub-models and provably converges. Empirical evaluations on a nonlinear NARX benchmark and the Quanser Aero 2 platform demonstrate that PE-MHL outperforms equivalently sized monolithic networks in both accuracy and generalization, while also providing more stable training dynamics and better preservation of underlying data structures.
Authors: Kushagra Chandak, Toshinori Kitamura, Xiaoqi Tan
Abstract: We study online learning with an additional offline dataset in the stochastic linear bandit setting. Although this problem arises frequently in practice, the offline-to-online tradeoff remains poorly understood in structured environments. We propose a linear bandit algorithm that balances this tradeoff: it relies on offline data during early rounds, and increasingly favors exploration as the horizon grows. We establish regret bounds showing that our method is simultaneously competitive with both purely online and purely offline solutions. In particular, it achieves sublinear regret relative to the optimal action in the number of online interactions, while its regret relative to an offline reference decreases as the number of offline samples grows. Empirical results further demonstrate its effectiveness across various problem parameters.
Authors: Jun Hu
Abstract: Bayesian models with finite symmetry - mixture models with exchangeable components, structural identification with closely-spaced modes - define posteriors that are invariant under a group of label permutations, creating redundant multimodality that degrades MCMC convergence diagnostics. We introduce Folded Transport MCMC (FolT-MCMC), which performs inference directly on the quotient posterior by constructing an independence sampler on the fundamental domain of the symmetry group. The quotient proposal is formed by symmetrising a learned normalising flow over the group orbits. We prove that the LCNF oscillation-based certification framework transfers to the quotient metric with a stabiliser-corrected ball-mass bound and improved covering radius, and that the quantile-core certified lower bound improves whenever the unfolded flow exhibits cross-mode proposal deficiency. On Gaussian mixtures (d = 2 - 20), label-switching targets (up to 24 equivalent modes), and a standard Bayesian three-component mixture posterior, the quantile-core certified improvement ratio ranges from 2x to 145x, with the folded certificate empirically nearly dimension-free. On real accelerometer data from a supertall building during Typhoon Mangkhut, FolT-MCMC yields a non-vacuous quantile-core certificate where the unfolded certificate is vacuous.
Authors: Bin Duan, Matthew B. Dwyer, Guowei Yang
Abstract: Deep Neural Networks (DNNs) are increasingly being deployed in security-critical and safety-sensitive applications, which makes rigorous testing essential to identify and mitigate model weaknesses. Existing DNN testing approaches explore either the input space or a learned latent space. While latent-space generation can better maintain plausibility than direct input-space mutation, current methods still face a trade-off among exploration controllability, failure diversity, and seed-relative semantic drift. To overcome these limitations, we propose Latte, a black-box testing framework that generates semantically proximate, diverse, and fault-revealing test cases by leveraging the latent space. Specifically, Latte encodes each input seed with a pre-trained VQ-VAE and performs a seed-centered, one-step latent mutation along directions defined by anchors sampled from alternative classes, followed by quantization and decoding back to the input space. This explores local neighborhoods around each seed within the learned latent manifold, resulting in a larger number and broader diversity of oracle-triggering prediction discrepancies under the same budget. We evaluated Latte on 5 datasets and 10 DNN models in single-model and multi-model testing scenarios. Across the evaluated datasets and models, Latte improves fault exposure and behavioral diversity under matched testing budgets. Under the single-model setting, it also maintains low seed-relative semantic drift with respect to the source seeds.
Authors: Bin Duan, Meiru Che, Guowei Yang
Abstract: As neural networks are increasingly deployed in safety-critical domains, testing is essential to evaluate and improve their reliability. Existing testing methods, whether black-box or white-box, primarily use global mutation or coverage-guided strategies, both of which struggle to efficiently uncover diverse model failures while remaining proximate to the original data distribution and semantics. We propose BayesWarp, a testing framework that addresses this limitation by mutating decision-critical input regions identified via interpretable saliency techniques and adaptively guiding the testing process using an uncertainty-aware Bayesian Optimization strategy, enabling the discovery of diverse failures while preserving distributional and semantic proximity to the original data. Evaluation on MNIST, CIFAR-10, and ImageNet across six neural network models shows that BayesWarp improves failure discovery, failure diversity, test case quality, and critical neuron coverage under a fixed mutation budget. These results demonstrate that BayesWarp improves testing effectiveness. Moreover, fine-tuning with the generated failure cases leads to improvements in model performance.
Authors: Zhikai Chen, Junyu Yin, Jialiang Gu, Siheng Xiong, Xiaoze Liu, Ruowang Zhang, Keren Zhou, Kai Guo
Abstract: Relational Foundation Models (RFMs) promise a single pre-trained predictor that, given any relational database, returns predictions in one forward pass via relational in-context learning (ICL). Yet a substantial gap separates open RFMs from their commercial counterparts, and the origin of this gap has not been systematically understood. We dissect a representative framework, the Relational Transformer (RT), from two perspectives. Model side: we show that RT performs relation-level ICL, and a kernel regression view shows it fails when sparse label-cell coverage yields an underdetermined regression. Data side: we ablate RT's pre-training source and find that existing synthetic-only pre-training and in-distribution pre-training drive the same architecture into different regimes, lazy vs. feature-learning. Probing this gap reveals that the missing ingredient is a support-identifiable relational latent in the label-generation process. These two diagnoses translate into (1) a dual-stage ICL architecture that combines the relational backbone with a batch-level ICL layer lifted from a pre-trained tabular foundation model to overcome relation-level label scarcity, and (2) a homophily-aware synthetic plus continual real-data pre-training mixture, augmented with a prototype-based regularization. These choices define OpenRFM, a simple yet effective RFM that improves average task performance by approximately 30% over the RT backbone and surpasses the commercial model KumoRFMv1 on a large set of evaluation tasks.
Authors: Riccardo Saporiti, Fabio Nobile
Abstract: One of the primary challenges in Bayesian inference on the parameters of a diffusion model from discrete observations is the unavailability of an analytical expression for the transition density function between consecutive observation times, which is needed to derive the likelihood function. Extending previous studies that solve Fokker-Planck (FP) type partial differential equations with Normalizing Flows, we propose a new Normalizing Flow architecture to learn the transition density function of the diffusion process between two observation times. We do so by solving in a Neural Galerkin framework the associated FP equation with a Dirac mass as initial condition, over a specified training distribution of the initial datum and the coefficients of the diffusion. We specifically focus on processes whose diffusion matrix vanishes in certain inaccessible boundary regions, such as Stochastic Volatility models that satisfy a Feller condition. The product of the obtained transition densities evaluated along the observed trajectory approximates the likelihood function, thereby enabling cheap posterior sampling via Markov chain Monte Carlo (MCMC). After the offline training phase, inference becomes significantly more efficient, as it avoids the need to solve the FP equation in real time for each parameter proposed by the MCMC sampler or to rely on other likelihood-free methods for Bayesian inference that involve repeated simulation of diffusion bridges.
Authors: Julian Skirzynski, Harry Cheon, Shreyas Kadekodi, Meredith Stewart, Berk Ustun
Abstract: Concept bottleneck models predict outcomes from high-level concepts detected in inputs. Although concepts provide a simple way to reap benefits from interpretability, very few datasets include concept labels. This limits researchers' ability to determine which problems are suitable for these models, isolate the factors that drive their performance or lead to failures, or uncover which algorithms perform well. In this paper, we develop synthetic benchmarks for concept-bottleneck models, focusing on their two main use cases: decision support, in which models assist humans in making better decisions, and automation, in which models handle routine tasks without supervision. Our benchmarks can generate labeled datasets while controlling for properties that affect performance, including data modality, concept choice, annotation quality, and completeness. We demonstrate how the benchmarks can be used to evaluate representative classes of concept bottleneck models. Our demonstrations show how the benchmarks can diagnose failure modes and guide follow-up testing.
Authors: Tian Ding, Dawei Li, Ruoyu Sun
Abstract: We investigate the geometric structure of stationary plateaus that arise in the loss landscape of two-layer neural networks with smooth activation functions. We focus on the phenomenon of "neuron splitting" where duplicating a hidden neuron yields an affine set of stationary points in a wider network. We provide a comprehensive classification of all stationary points on these plateaus, determining under what conditions they constitute local minima or saddle points. Our characterization hinges on a per-neuron curvature object we term the "inner Hessian" matrix. Our analysis reveals that the definiteness of the inner Hessian and the choice of splitting coefficients jointly dictate the local geometry of the plateau. We show that "splitting" a local minimum can yield either a mixture of local minima and saddles or an all-saddle plateau, with a concrete sure-saddle region identified under mild assumptions. In contrast, splitting a saddle point always produces a plateau of saddle points. Our results unify and extend prior landscape analyses, elucidating when and how model expansion preserves or alters the nature of stationary points. These findings offer new geometric insights into the effects of width expansion and reparameterization in neural networks.
Authors: Tanya Veeravalli, David M. Bossens, Atsushi Nitanda
Abstract: The framework of robust Markov decision processes (RMDPs) allows the design of reinforcement learning agents that satisfy performance guarantees under worst-case transition dynamics. Traditional RMDPs consider discrete-time dynamics and recently, sample-efficient policy gradient algorithms have been considered in this context. This paper investigates policy gradient algorithms within a continuous-time RMDP framework. Policy gradients and adversarial gradients are derived using pathwise and adjoint-based formulas for stochastic and ordinary differential equations. We propose double-loop optimisers to obtain linear convergence in the oracle-based setting and an $\tilde{\mathcal{O}}(\frac{1}{\epsilon^2})$ sample complexity in the sample-based setting in an analysis which also derives novel tools for the framework of undiscounted total cost MDPs. Additionally, we propose mean-field optimisers as distributional optimisers with an $\tilde{\mathcal{O}}(\frac{1}{K})$ oracle-based convergence rate and an $\tilde{\mathcal{O}}(\frac{N^2}{\epsilon})$ sample complexity under $N$-particle approximation. The effectiveness of continuous-time policy gradient algorithms is confirmed for both optimisers on continuous-time RMDPs with neural ordinary differential equation dynamics.
Authors: Xixi Tian, Di Wu, Xiang Liu, Yiziting Zhu, Yujie Li, Xin Shu, Bin Yi
Abstract: Privacy-sensitive and distributed characteristics of multi-center medical data bring severe obstacles to centralized modeling for accurate early prediction of sepsis. Federated learning (FL) has attracted growing attention as a promising framework for collaborative model development, as it allows multiple institutions to jointly train predictive models without directly sharing or centralizing raw data. Nevertheless, its practical performance, robustness, and privacy-preserving benefits remain insufficiently evaluated using real-world clinical datasets. To bridge this gap, this study systematically examines the application of federated learning to multi-center sepsis prediction. The experimental dataset consists of 648 clinically screened samples collected from three tertiary hospitals in China, with rigorous inclusion and exclusion criteria. We establish a centralized training paradigm as the performance baseline, and then implement a horizontal federated learning framework for distributed collaborative modeling. Extensive experimental results demonstrate that the federated learning-based model achieves highly comparable prediction accuracy to the centralized counterpart, while fundamentally avoiding privacy leakage. Further privacy security analysis verifies that malicious attackers cannot reconstruct the original patient data from the transmitted model parameters, indicating strong resistance against data reconstruction attacks. This work not only validates the practicality and security of federated learning in clinical sepsis prediction, but also provides a reliable and feasible solution for privacy-preserving multi-center medical collaboration.
Authors: Cathy Liu
Abstract: Computational models of epilepsy promise patient-specific treatment design, but most optimization workflows still search for parameters that perform well on average. In neuromodulation, this is a weak target: a protocol that improves the mean response can still fail in the patient whose network is least tolerant to stimulation. We present a literature-guided minimax pipeline that couples PubMed-scale hypothesis extraction, The Virtual Brain (TVB) Epileptor simulations, and large-language-model-guided black-box optimization. The optimizer proposes either intrinsic model-control parameters or clinically interpretable external-stimulation protocols; TVB evaluates each proposal across sampled virtual patients; and the objective maximizes worst-case reward, defined as the negative variance of simulated seizure activity. In the intrinsic model-control experiment, the best archived parameter set improved worst-case reward from -0.5285 to -0.3182, a 39.8% gain over baseline. The clinical-style external-stimulation search produced a much smaller worst-case improvement (1.7%), and a 20-patient virtual cohort showed no aggregate benefit (p=0.9019), despite a 55% responder rate and a positive temporal-lobe subgroup signal. The study should be read as an in silico proof of concept for robust, literature-aware neurostimulation design, not as clinical evidence.
Authors: Riku Green, Zahraa S. Abdallah, Telmo M Silva Filho
Abstract: Multi-step time series forecasting (MSF) is commonly evaluated using point-wise error metrics such as mean squared error (MSE), implicitly treating the conditional mean as a sufficient target. We show that this can be misleading under conditional uncertainty, where the conditional expectation becomes unrepresentative of typical realized values at longer horizons. We formalize this effect through a conditional uncertainty gap and prove that whenever this gap is nonzero, no deterministic predictor can simultaneously minimize MSE and match the marginal distribution of realized futures. This establishes a fundamental, model-agnostic trade-off between point accuracy and marginal realism in MSF evaluation. Using controlled stochastic dynamical systems and nine real-world forecasting benchmarks, we empirically characterize the resulting accuracy--realism frontier and \textbf{quantify the practical cost of MSE-only model selection}. As conditional uncertainty increases with forecast horizon, the attainable set expands into a pronounced Pareto front, separating MSE-optimal but under-dispersed predictors from methods that trade accuracy for realistic marginal variability. \textbf{Across benchmarks, we find that small relaxations in MSE ($\boldsymbol{\le 5\%}$) frequently unlock disproportionate gains in marginal realism, with median improvements of $\mathbf{17.3\%}$ and gains exceeding $\mathbf{30\%}$ in some datasets.} We further show that common forecasting strategies systematically occupy different regions of this frontier: direct multi-output predictors concentrate near the accuracy-optimal extreme, while recursive strategies and sample-based inference favors marginal realism. Together, these results expose a structural failure mode of MSE-based evaluation in long-horizon forecasting and recast strategy and inference selection as navigation of an unavoidable accuracy--realism trade-off.
Authors: Yanshun Zhao, Xiaoyu Peng, Jiamin Jiang, Congcong Zhu, Jingrun Chen
Abstract: Conventional patchified Transformers operate on uniform spatial partitions, distributing computational effort evenly across the domain irrespective of local features. This inflexible tokenization scheme is inherently limited in its ability to efficiently represent and process solutions to complex PDEs. To address this, we propose MeshTok, an adaptive mesh refinement (AMR)-inspired tokenization and sequence modeling framework. This method selectively refines spatial regions exhibiting sharp gradients, transient features, or multiscale structures, generating a heterogeneous set of multiscale tokens defined on a fixed simulation grid. These tokens are processed within a unified Transformer sequence, enabling the model to simultaneously capture coarse-grained global context and fine-grained local details without requiring specialized architectural components. Although adaptive refinement moderately increases token count, it promotes a more targeted allocation of computational resources to physically informative regions, which we view as a practical inductive bias rather than a formal optimality guarantee. Experimental evaluations across multiple PDE families and benchmark datasets demonstrate that MeshTok consistently improves the efficiency-accuracy trade-off compared to uniform-grid baselines. This suggests adaptive multiscale tokenization as a scalable and generalizable design principle for neural PDE modeling. Code is available at https://github.com/SCAILab-USTC/MeshTok.
Authors: Huiqi Zhang, Fang Xie
Abstract: Differentially private stochastic gradient descent (DP-SGD) injects noise into every updated coordinate, making the injected noise energy scale with the ambient parameter dimension \(d\). We ask when private training can update fewer coordinates without losing the signal needed for optimization. We propose \textsc{TP-TopK} (Two-Phase TopK DP-SGD), a two-phase method for coordinate-sparse private training without public data, in which a private warm-up phase identifies a coordinate support used to guide the main training phase. We give a criterion characterizing when coordinate restriction can be beneficial, show via a nonconvex stationarity bound that under this condition the relevant noise term scales with the active dimension \(k\) rather than the full parameter dimension \(d\), and provide a lower bound on the reliability of warm-up-based coordinate ranking. Experiments on MNIST, FMNIST, and CIFAR-10 show that learned coordinate supports can retain more gradient energy than size-matched random supports, with the largest gains when the active dimension is small and warm-up scores are informative.
Authors: Chen Chu, Bita Azarijoo, Li Xiong, Khurram Shafique, Cyrus Shahabi
Abstract: Recent large language models (LLMs) often appear to exhibit spatial reasoning ability; however, this capability is largely \emph{symbolic}, arising from pattern matching over spatial language rather than true \emph{geometric} reasoning over space. Because LLMs operate on discrete tokens, they lack native support for continuous spatial representations, explicit geometric computation, and structured spatial operators. To address this limitation, we introduce the \emph{Spatial Language Model (SLM)}, the first multimodal LLM that treats location information as a first-class modality and enables geometric spatial reasoning within the model's inference process. SLM directly operates on learned spatial representations rather than textual descriptions of spatial relations. To support effective training, we construct a \emph{Spatial Instruction Dataset} that aligns spatial representations, atomic geometric operations, and natural language instructions. We further propose a new benchmark named \emph{SpatialEval}, which is designed to evaluate spatial reasoning across attributes, distance, topology, and relative-position tasks. Extensive experiments show that SLM significantly outperforms existing LLM-based approaches that rely on symbolic reasoning via prompt engineering or textual abstraction, demonstrating the benefits of integrating geometric spatial representations for robust spatial reasoning. Our instruction dataset, evaluation benchmark, model training codes, and models' checkpoints can be found at: \hyperlink{https://github.com/chuchen2017/SLM}{https://github.com/chuchen2017/SLM}.
URLs: https://github.com/chuchen2017/SLM, https://github.com/chuchen2017/SLM
Authors: Xiaobo Huang, Fang Xie
Abstract: Machine learning's reliance on sensitive data necessitates privacy-preserving techniques like Differentially Private Stochastic Gradient Descent (DPSGD). However, DPSGD suffers from substantial utility degradation and slow convergence due to gradient clipping and noise injection. Prior works have attempted to improve DPSGD from various perspectives; notably, the Differentially Private Selective Update and Release (DPSUR) algorithm has achieved remarkable model utility. However, the privacy accounting in DPSUR overlooks the variation in sampling probability introduced by the selective release mechanism, which compromises the rigor of its privacy guarantees. To address these limitations, we re-evaluate the privacy analysis of the selective release mechanism and propose a novel algorithm: Differentially Private Selective Release based on Clipped Gradients (DPSR-CG). Through a rigorous, newly derived privacy analysis and extensive experiments on multiple datasets (MNIST, CIFAR-10, IMDB, and FMNIST), we demonstrate that our DPSR-CG mechanism maintains strict privacy guarantees while achieving exceptional model performance.
Authors: Andrew Gracyk
Abstract: We find the asymptotic ratio between the storage capacities when enforcing real pre-activations in a complex hypothesis class as opposed to complex ones in the same class. Our methods depend on Gardner volume comparisons at critical capacity. Our proof relies on an application of the Harish-Chandra-Itzykson-Zuber (HCIZ) formula, nonstandard in literature. With the HCIZ formula, we may obtain a more robust approximation for the final asymptotic ratio. This strategy is applicable to our work specifically since we integrate over the unitary and orthogonal compact manifolds, facilitated via the Weyl integration formula and the Haar measure.
Authors: Dong Li, Yapeng Cao, Haiping Zhao, Shutong Han
Abstract: This study develops a two-domain physics-informed neural network framework for contaminant transport through a GCL/SL composite liner system, in which the thin GCL layer is treated using a steady-state advection-dispersion-biodegradation formulation and the underlying soil liner is modeled as a transient transport domain. Two formulations are evaluated against analytical and finite-element reference solutions under different leachate-head conditions: a standard PINN with soft constraint enforcement (Std-PINN) and a hard-constrained PINN (H-PINN), in which selected boundary and initial conditions are embedded directly into the trial solutions. The Std-PINN captures the overall breakthrough behavior but shows larger errors during the early transport stage, particularly under higher leachate heads where advective transport becomes more pronounced. The H-PINN reduces the optimization burden associated with penalty-based constraint enforcement and provides more accurate and stable concentration predictions, lowering the MAE from approximately 0.058-0.067 for the Std-PINN to about 0.011-0.023 for the H-PINN, while reducing the MRE from approximately 9.10%-19.16% to about 2.08%-3.14%. Parametric analyses confirm that the H-PINN with the tanh activation function and an optimized network structure provides the best predictive accuracy. The H-PINN is further extended to inverse modeling for identifying the SL degradation half-life from limited concentration observations, showing reliable convergence toward prescribed values and acceptable robustness under low-to-moderate observation noise.
Authors: Yunsheng Yuan, Xue Xiao, Lina Wang, Feng Li
Abstract: In the paradigm of decentralized learning, a group of agents collaborate to train a global model using distributed datasets without a central server. Although the power of collaboration has been verified by many state-of-the-art studies, it entails extensive gradient information exchanging among the agents and thus induces high risk of privacy leakage for the individual agents. Moreover, in real-world applications, the training data are usually non-identically and independently distributed across the agents, inducing more challenges to enable privacy-preserved decentralized learning. To address these issues, we propose a privacy-preserved decentralized learning algorithm with non-IID data, DPDL, which leverages the notion of Differential Privacy (DP) in cross-gradient aggregation through a similarity-based calibration technique. Specifically, in each round, each agent perturbs the cross-gradients (i.e., the derivatives of its neighbors' local model in its private local data) by Gaussian noise mechanism before sharing them with its neighbors; it then adopt cosine similarity to calibrate the received perturbed cross-gradients such that the aggregation of the calibrated cross-gradients can be utilized to effectively update local model in a momentum-like manner. Our rigorous theoretical analysis not only reveals the minimum noise level required to achieve a specific level of privacy preservation, but also illustrates that our algorithm still achieves a linear speedup in training with non-IID data. We finally conduct extensive experiments on real-world dataset to validate the effectiveness of our algorithm in defending privacy attacks and in training accurate models.
Authors: Jiaxing Wang, Deping Xiang, Jin Xu, Mingyang Yi, Guoqiang Gong, Zicheng Zhang, Haoran Li, Pengzhang Liu, Zhen Chen, Ke Zhang, Ju Fan, Qixiang Jiang
Abstract: The capabilities of large language models (LLMs) significantly depend on training data drawn from various domains. Optimizing domain-specific mixture ratios can be modeled as a bi-level optimization problem, which we simplify into a single-level penalized form and solve with twin networks: a proxy model trained on primary data and a dynamically updated reference model trained with additional data. Our proposed method, Twin Networks for bi-level DatA mixturE optiMization (TANDEM), measures the data efficacy through the difference between the twin models and up-weights domains that benefit more from the additional data. TANDEM provides theoretical guarantees and wider applicability, compared to prior approaches. Furthermore, our bi-level perspective suggests new settings to study domain reweighting such as data-restricted scenarios and supervised fine-tuning, where optimized mixture ratios significantly improve the performance. Extensive experiments validate TANDEM's effectiveness in all scenarios.
Authors: Mingyu Li
Abstract: Modern Transformer architectures frequently employ normalization mechanisms such as RMSNorm and Query-Key Normalization, making parts of the model approximately scale-invariant with respect to weight magnitudes. In this regime, standard Frobenius-norm weight decay acts purely along the radial direction of the weight space and cannot directly simplify the function represented by the normalized layer. We study grokking in small algorithmic tasks through this lens and propose \emph{Low-Rank Decay} (LRD), a nuclear-norm-like spectral regularizer whose subgradient -- the polar factor $UV^\top$ -- retains a tangential component even in the scale-invariant setting. This distinction has a concrete dynamical consequence: after the model memorizes the training set and task gradients vanish, L2 decay can no longer reshape the weight spectrum, whereas LRD continues to compress singular values in an $\ell_1$-like fashion. On modular arithmetic tasks, we find that LRD induces rapid effective-rank collapse in Query/Key matrices and expands the data-fraction boundary at which delayed generalization (grokking) occurs. We further provide a spectral-geometric interpretation through the ``needle-to-fan'' expansion of the nuclear-norm subdifferential near low-rank strata.
Authors: Rui Zhang, Jinhang Liu, Wenbo Zhang
Abstract: High-dimensional and incomplete (HDI) data are prevalent in many real-world big data scenarios. Latent factor models serve as a common representation learning approach, capable of uncovering informative latent factors from such data. Nevertheless, most existing latent factor models rely solely on gradient descent for optimization, which may lead to insufficient and biased representations, particularly when dealing with heterogeneous HDI data. Thus, this study proposes an Ensembled Latent Factor Model via Differential Evolution and Gradient Descent Optimization (ELFM-DEGDO) with two-fold designed: 1) two diverse latent factor models are independently modeled via differential evolution and gradient descent optimization, respectively, and 2) the two diverse latent factor models are combined via a customized self-adaptive weighting mechanism to effectively fuse their strengths. By leveraging the complementary advantages of both optimization paradigms, ELFM-DEGDO is able to produce more comprehensive and less biased representations for HDI data. Three HDI datasets are tested to show that ELFM-DEGDO consistently performs better than related several latent factor models.
Authors: Mohammad Omar Khursheed, Baram Sosis, Fabien Roger
Abstract: Helpful-only models, that is, models that are trained to always follow user intent, are valuable for dangerous capability evaluations and other areas of AI R&D where refusals would be an obstacle. Little is known about the generalization properties of helpful-only training: helpful-only models refuse less than their harmless counterparts, but previous work has not studied other dimensions of their alignment. We study the shortcomings of existing helpful-only models. We find that some show emergent misalignment, others have residual refusal behaviors, and most show poor steerability, sycophancy, and incoherent character. We show that simple anti-refusal training can cause many of these issues. None of these problems are necessary consequences of helpful-only training, though: we show that synthetic document fine-tuning and adding character-related questions to SFT and RL can mitigate them.
Authors: Anna Lazareva, Alexander Tarakanov
Abstract: Physics-informed neural networks (PINNs) approximate solutions of ODEs and PDEs by minimising a weighted combination of residual, boundary, initial, and data losses. Their performance is often dominated by the choice of loss weights: a poor weighting can drive training to a degenerate solution in which one physical constraint is satisfied while another is ignored. Existing methods select or adapt a single good set of weights. We take a different view: instead of tuning one weight vector, we explore the entire weight space during training. We introduce LC-PINN, which adapts the loss-conditional training of Dosovitskiy and Djolonga (2020) to the PDE-residual setting: the conditioning vector (either the loss weights or a scalar physical coefficient) is treated as a network input and sampled from a simple prior at every optimisation step. This turns PINN training into learning a continuous family of solutions indexed by that vector, with no solver-generated paired data. LC-PINN thus lies between classical PINNs and operator learning: it stays fully physics-informed but amortises training over a parametric family. Our contribution is not the loss-conditional construction itself, but its extension to PINNs, the unification of the loss-weight and parametric-coefficient regimes under one architecture (concatenation for loss weights, FiLM for coefficients), and a fixed-quadrature L-BFGS finishing protocol that makes the parametric-coefficient regime trainable. We give a lambda-invariance result for the conditional optimum and study LC-PINN on parametric Helmholtz, Schrodinger, viscous Burgers, and Buckley-Leverett equations. A single LC-PINN matches or improves retrained per-weight PINN baselines while parameterising the full family in one model, at a total cost that amortises favourably against per-instance retraining.
Authors: Noah Bergam, Samuel Deng, Daniel Hsu
Abstract: We show every multi-group learner in the transductive setting may incur a multiplicative penalty in its error rate on some group relative to the error rate achievable in the single-group setting, and the penalty can increasing linearly with the number of groups, up to roughly the square-root of the sample size. This stands in stark contrast to optimal multi-group learners in an analogous (group-realizable) statistical setting, where the penalty is always at most logarithmic in the sample size and independent of the number of groups.
Authors: Wenkai Chen, Tianshu Li, Wenyong Huang, Yichun Yin, Lifeng Shang, Chengwei Qin
Abstract: Mixture-of-Experts (MoE) and looped architectures scale models along two orthogonal axes, namely parameter capacity and effective depth. However, mainstream looped architectures rely on dense backbones that couple parameter count with per-token FLOPs, which makes it impossible to isolate the effect of iterative computation under matched budgets. To this end, we present LoopMoE, a looped MoE language model that integrates sparse routing with iterative weight-shared computation through two designs. The first is IterAdaLN, which resolves weight-sharing symmetry via a modulation signal jointly conditioned on the iteration index and the per-token hidden state. The second is a capacity-balancing strategy that recovers the attention-to-FFN active parameter ratio of well-tuned non-looped references. Together, these designs enable the first strictly controlled, head-to-head evaluation of a looped MoE against a Vanilla MoE under identical total parameters, per-token FLOPs, and active sublayer ratios. At the 3B scale, LoopMoE outperforms the Vanilla MoE on 8 of 9 downstream benchmarks with an average improvement exceeding 1 point. At the 9B scale, LoopMoE continues to outperform the matched Vanilla MoE, indicating that the architectural gain persists at larger scale. Our work establishes a controlled synthesis of sparsity and recurrence, and suggests a promising direction for looped language models.
Authors: Askat Rakhymbekov, Gulshat Muhametjanova
Abstract: Real estate valuation is a structured regression problem in which prices are governed by heterogeneous feature types, sparse regional effects, nonlinear interactions, and the practical logic of comparable properties. Standard multilayer perceptrons treat each row as an isolated vector and must learn locality, scale sensitivity, and categorical matching from supervision alone. Gradient-boosted decision trees provide strong tabular baselines, but their feature-centric splitting mechanism does not explicitly model the retrieval of similar historical observations. This paper presents RowNet, a retrieval-based neural architecture for real estate price-per-square-meter prediction. RowNet represents a query property through pairwise similarity features against a memory bank of labeled properties. A first retrieval layer estimates a coarse target from feature-only similarities. A second layer augments the memory comparison with target-consistency features and uses multiple learned attention heads to retrieve complementary comparable sets. A final mixture-of-experts module combines learned gating, residual correction, entropy regularization, and head-diversity regularization to produce the prediction.
Authors: Mohammad Tariqul Islam, Jason W. Fleischer
Abstract: Neighbor embedding algorithms reveal correlations in high-dimensional data by constructing an equivalent graph representation in a lower-dimensional space. An increasingly popular algorithm is Uniform Manifold Learning and Projection (UMAP), which uses algebraic topology to map distances between the two spaces. While it works well on many types of data sets, UMAP has trouble adding out-of-sample points to a pre-existing mapping. In particular, UMAP often places new points on the periphery of the found clusters, rather than in their interiors with their correlated neighbors. Here, we overcome this ``repulsion effect'' by optimizing pairwise interactions within the original k-nearest-neighbor graph. Moreover, we show that parameterizing UMAP obtains better embeddings than non-parametric algorithms, particularly as the data gets more complex (e.g., medical images). We also show that the repulsion effect is naturally mitigated when a parameterized UMAP is employed to embed the data. We characterize different UMAP approaches using trustworthiness, nearest neighbor classifiers, and by analyzing attractive and repulsive forces in the embeddings.
Authors: Ruiqing Sun, Sen Yang, Dawei Feng, Bo Ding, Yijie Wang, Huaimin Wang
Abstract: Offline multi-objective optimization (Offline MOO) aims to discover novel Pareto-optimal designs based on static datasets without expensive environment interactions. While recent generative methods have achieved notable success, they predominantly rely on external surrogate models. This dependency introduces significant computational overhead, suffers from deceptive evaluations, and deviates from the prevailing paradigm of jointly training mainstream generative models with conditions. To address these bottlenecks, we propose ParetoPilot, a novel zero-surrogate diffusion framework for offline MOO. ParetoPilot fully leverages the conditional priors inherently embedded within pre-trained diffusion models. At its core, the framework introduces the Infer-Perturb-Guide (IPG) engine, which is seamlessly interleaved within the unconditional denoising steps of the reverse generation process. First, it implicitly infers the instantaneous objective direction by matching conditional and unconditional noise predictions. Next, it mathematically orthogonalizes a parallel gravity field for strict convergence and an edgeness-aware repulsive force for mutual diversity, creating a dynamically annealed perturbation vector. Finally, this perturbed target seamlessly steers the generation process via standard Classifier-Free Guidance (CFG). Extensive experiments across 51 tasks demonstrate that ParetoPilot outperforms 14 state-of-the-art surrogate-based and inverse generative baselines. By eliminating auxiliary proxy training, our approach preserves data privacy while achieving hypervolume improvement and robust Pareto front coverage.
Authors: Thomas Johnson
Abstract: We present ChessMimic, a system of three small encoder-only transformers - for move, thinking-time, and outcome prediction - conditioned on the position, recent move history, player rating, and clock state. We fit a separate instance of each model per 100-Elo rating band, trading parameter efficiency for sharper per-skill calibration. On a held-out month-wide slice of Lichess Rated Blitz games ChessMimic's human move prediction accuracy outperforms Maia-2 in every Elo band. Compared to Maia-3, our 9M parameter model's accuracy sits between Maia-3-5M and Maia-3-23M without the additional complexity of Geometric Attention Bias. In addition to the move matching model, we also train a game outcome model that conditions not only on the position, but also player ratings, time control, and remaining clock times. The outcome model achieves an AUC of 0.78 out of sample, beating Maia-2 as well as logistic regressions based on material, ratings, and clock time. Finally, we train a clock model that predicts human thinking times. The clock model provides a usable but non-SOTA per-ply think-time signal under ALLIE-style filters (Pearson r = 0.41, Spearman rho = 0.50, MAE 4.10 s, against ALLIE's reported r = 0.70), with the residual gap concentrated in per-position bucket sharpness rather than bucket-marginal calibration. A public demo is at 1e4.ai and we release code, per-band weights, and the C++ data-filter pipeline code in GitHub.
Authors: Berk Tinaz, Changzhi Xie, Mahdi Soltanolkotabi
Abstract: In this paper, we study the gradient descent dynamics for jointly training both layers of a one-hidden-layer ReLU network to fit a linear target function. Concretely, we consider a realizable setting where inputs are drawn i.i.d. from a Gaussian distribution and labels follow a planted linear model. This stylized framework captures salient features of end-to-end training in inverse problems and certain auto-encoder models. Despite its apparent simplicity, the dynamics remain poorly understood, in part because the loss landscape contains multiple non-strict saddle points, making it unclear why gradient descent from random initialization reliably escapes bad stationary regions. We provide a detailed characterization of the optimization landscape and prove that gradient descent from a moderately small random initialization-simultaneously training both layers-converges to a global minimizer at a linear rate with order-wise optimal sample complexity. Our analysis tracks the trajectory through three phases: an alignment phase in which hidden weights progressively align with the planted direction while the output weights maintain the correct sign pattern; a growth phase in which the norms of both layers increase while preserving alignment; and a local refinement phase in which the aligned neurons rapidly converge to the planted direction, yielding fast local convergence. To rigorously show that GD avoids non-strict saddles, we develop trajectory-level control arguments for the end-to-end dynamics. In addition, we establish novel uniform concentration results that hold along the entire trajectory, and are essential for obtaining order-wise optimal sample complexity. We corroborate our theory with extensive experiments across a range of configurations.
Authors: Yuanrui Wang, Xingxuan Zhang, Han Yu, Mingchao Hao, Gang Ren, Hao Yuan, Li Mao, Yunjia Zhang, Chun Yuan, Peng Cui
Abstract: Tabular foundation models (TFMs) increasingly rival tree ensembles, but their performance is often compute-inefficient: with standard affine scalar tokenization, each feature injects value variation through an essentially one-dimensional channel, and feature IDs/positional signals cannot increase within-feature value degrees of freedom, yielding weak early-layer value sensitivity and redundant hidden states. We present a unified tokenize-and-route framework for strong TFMs: RaBEL expands each scalar into compact localized RBF features (optionally exponent-gated) to improve conditioning and shallow-layer effective rank, while a reordered bidirectional block S->N->F aligns computation with the readout by aggregating cross-sample context before feature mixing and using attention pooling. Together, these changes yield LimiX-2M, a 2M-parameter model that outperforms larger TabPFN-v2 and TabICL baselines on widely used tabular benchmarks while reducing training and inference costs. These results highlight value-aware tokenization and readout-aligned routing as key levers for improving the accuracy--efficiency trade-off in TFMs. Model checkpoints and inference code are available at https://github.com/limix-ldm-ai/LimiX.
Authors: Zicheng Zhao, Yu Lan, Chengzhengxu Li, Zhaohan Zhang, Xiaoming Liu
Abstract: Cooperative Multi-Agent Reinforcement Learning (MARL) frequently suffers from severe reward sparsity and exploration bottlenecks. While episodic memory mechanisms mitigate these issues by reusing high-return trajectories, they often trap agents in local optima due to unconstrained incentive distribution and semantic representation collapse. To address this, we propose Episodic Memory Temporal Consistency (EMTC), a framework that robustly constructs and selectively leverages historical experiences. EMTC introduces two synergistic components: (1) a Temporally Consistent Semantic Embedder that integrates contrastive learning with time-conditioned state reconstruction, preventing representation collapse and enabling precise memory retrieval; and (2) a Temporal Consistency Gating Mechanism that dynamically modulates episodic incentives based on temporal consistency error. This adaptive gate filters misleading signals from pseudo-successful trajectories, effectively mitigating Q-value overestimation. We provide theoretical guarantees, establishing a strict error bound that directly links the observable temporal consistency error to the underlying trajectory optimality and representation quality. Extensive evaluations on the SMAC and GRF benchmarks demonstrate that EMTC consistently outperforms state-of-the-art baselines. Notably, compared to the strongest episodic baseline, EMTC achieves absolute win-rate improvements of up to 24% in super-hard SMAC scenarios and an average improvement of 28% across GRF tasks.
Authors: Guangcheng Zhu, Shenzhi Yang, Haobo Wang, Xing Zheng, Yingfan MA, Xuening Feng, Zhongqi Chen, Bowen Song, Weiqiang Wang, Gang Chen
Abstract: Reinforcement learning with verifiable rewards (RLVR) has greatly advanced large reasoning models (LRMs), but it requires timely training on a huge fully-annotated dataset. To this end, data-efficient RLVR methods have been widely studied from two perspectives: (i) data selection methods identify a small subset of "golden" samples that yield near-full-data performance, but they rely on a pre-existing pool of labeled data. (ii) unsupervised RLVR methods train the model using its own internal supervision signals on large-scale unlabeled data, yet they exhibit suboptimal performance. Accordingly, we investigate the "pick in the dark" setup for RLVR, which aims to select, without prior supervision, unlabeled samples that are most beneficial for training and worthy of annotation. Through systematic analysis, we demonstrate that smart picks hinge on a well-calibrated uncertainty estimator to enable strategic partitioning of data for adaptive training regimes. Building on this insight, we propose PivotTrace, a three-way data triage framework that leverages attention dynamics to trace metacognitive pivots during reasoning. By precisely quantifying uncertainty through pivot density, PivotTrace achieves automated data routing to synergistically maximize both annotation and training efficiency. Empirically, PivotTrace surpasses the fully supervised LRM with only 29.3% annotated samples and 2.75 faster convergence.
Authors: Guangcheng Zhu, Shenzhi Yang, Haobo Wang, Xing Zheng, Yingfan MA, Xuening Feng, Zhongqi Chen, Kai Tang, Zhengqing Zang, Bowen Song, Weiqiang Wang, Gang Chen
Abstract: Reinforcement learning with verifiable rewards (RLVR) significantly advances LLM reasoning, yet it faces a dilemma: standard supervised scaling is throttled by high annotation costs, while unsupervised alternatives suffer from severe model collapse. Recent semi-supervised RLVR methods address this by using a small labeled set to guide unlabeled data, achieving a promising trade-off between training efficacy and annotation cost. However, they suffer from a severe data-efficiency bottleneck due to the reliance on coarse performance heuristics, leaving a vast majority of valuable instances underutilized. To this end, we propose GeoMin, which models global feature distributions on labeled data to decode the structural discrepancy between correct and incorrect rollouts, thereby establishing a robust prior to assess the reliability of self-reward signals and fully unleash the potential of unlabeled data. Empirically, GeoMin outperforms the strongest baselines by +4.1% and even surpasses fully supervised models with only 10% of the annotations, demonstrating remarkable data efficiency.
Authors: Gyeongtae Yoo, Sanghyeok Park, Soohyuk Jang, Ik-hwan Kim, Sungroh Yoon
Abstract: Reinforcement learning from verifiable rewards with GRPO is a standard approach for post-training reasoning LLMs. It remains sample inefficient. Each rollout is used for a single gradient update and then discarded. Naive replay is not well suited in this setting because LLM policies drift quickly per gradient step. Stored rollouts therefore become stale and can destabilize training. We propose a rollout-level replay buffer for GRPO that stores and samples individual rollouts rather than whole groups. The buffer bounds staleness through age eviction. Any rollout older than tau_max training steps is removed. The buffer also preserves on-policy data via fresh-anchored composition. Each batch keeps its fresh on-policy rollouts and then concatenates replay rollouts drawn separately from the buffer. We prioritize replay by per-rollout advantage magnitude and recycle individual rollouts whose advantages are large. Across three Qwen3-Base scales on five math benchmarks, our method outperforms GRPO and naive replay baselines. Gains are positive at every scale and grow with model size. The largest gain is +4.35 pp on the five-benchmark average at 4B. Under an AES metric that jointly measures accuracy and token efficiency, the efficiency margin over GRPO is again largest at 4B, at +0.579.
Authors: Samuel B\"ohm (Institute of Epidemiology and Prevention, Medical Center - University of Freiburg, Faculty of Medicine, University of Freiburg, Freiburg, Germany), Lennart Purucker (Department of Computer Science, University of Freiburg, Freiburg, Germany, PriorLabs, Freiburg, Germany), Frank Hutter (Department of Computer Science, University of Freiburg, Freiburg, Germany, PriorLabs, Freiburg, Germany), Pascal Schlosser (Institute of Epidemiology and Prevention, Medical Center - University of Freiburg, Faculty of Medicine, University of Freiburg, Freiburg, Germany, Department of Epidemiology, Johns Hopkins Bloomberg School of Public Health, Baltimore, Maryland, US, CIBSS - Centre for Integrative Biological Signalling Studies, University of Freiburg, Freiburg, Germany)
Abstract: Tabular foundation models (TFMs) have made rapid progress in standard classification and regression, but time-to-event survival prediction tasks have remained largely untouched. Unlike in standard regression tasks, survival prediction models must account for censored data. Standard TFMs cannot handle natively censored data, leading to biased and inaccurate predictions, making them unsuitable for real-world applications. To overcome this fundamental limitation, we propose \texttt{SurvPFN}, a prior-data fitted network (PFN), for survival prediction tasks. We pretrain \texttt{SurvPFN} on millions of synthetic survival prediction tasks to learn survival via distributional regression that accounts for censored data. \texttt{SurvPFN} works by (1) generating data with Weibull event times and a non-informative censoring mechanism; (2) integrating a censored event indicator; and (3) minimizing a censored negative log-likelihood. On SurvSet, a collection of real-world survival tasks, \texttt{SurvPFN} is highly competitive with classical and deep survival baselines without per-dataset fitting, a survival-specific architecture, or feature engineering. We show that survival can be treated as a continuous-time distributional regression problem with censored loss, unlocking the power of PFNs for time-to-event predictions.
Authors: Damian Lebied\'z, Robert \'Slepaczuk
Abstract: This study aims to determine whether the application of Deep Reinforcement Learning (DRL) as a specialized execution overlay can enhance pair trading in highly volatile cryptocurrency markets. Although classical implementations of the strategy have proven successful in traditional equities, they frequently exhibit rigidity and suffer from severe divergence risks when applied to high-variance environments. To address this need, this research introduces novel concepts. To construct a robust system, we developed a hierarchical "Filter-then-Rank" pair selection methodology and a proprietary "Fixed Risk, Adaptive Mean" execution model. The system employs a Proximal Policy Optimization (PPO) agent with a Long Short-Term Memory (LSTM) layer to govern execution decisions within strict deterministic risk management boundaries. Evaluated on 1-hour interval data from the Binance USD-M Futures market, the optimized RL policy achieved an out-of-sample performance that substantially outperformed the heuristic baseline. A stationary circular block bootstrap robustness check confirms that the agent's risk-adjusted outperformance is statistically significant at the 10 percent level. Although falling marginally short of the stricter 5 percent threshold, this result highlights the extreme idiosyncratic variance characteristic of digital assets. Ultimately, this thesis contributes to the quantitative finance literature by introducing a hybrid architecture that combines statistical arbitrage with DRL execution policies. Furthermore, it delivers a novel framework for safe reinforcement learning via deterministic shielding, proving that anchoring a neural policy to statistically robust boundaries successfully mitigates severe divergence risks.
Authors: Ethem Alpaydin
Abstract: Many researchers investigated neural networks with some of their weights fixed to values randomly drawn from a given distribution, e.g., $N(0, I)$. Our proposed HalfNet draws random weights from $N(0, \Sigma)$, where $\Sigma$, which defines the geometry of the distribution, has a low-rank factorization that we learn from data. Experiments on MNIST and CIFAR-10 demonstrate that HalfNet can match the performance of fully trained multilayer perceptrons while using substantially fewer parameters. Spectral analysis indicates that much of the predictive power of neural networks lies in the geometry of their weight space rather than in the precise values of individual parameters, and we observe that accuracy scales smoothly with rank. HalfNet is not a neural architecture trick for low-rank structure; it implements a data-dependent random embedding that can also be interpreted through supervised metric learning, or random-feature and kernel perspectives.
Authors: Pasindu Wickramasinghe, Achyuta Muthuvelan, Rachmad Vidya Wicaksana Putra, Minghao Shao, Muhammad Shafique
Abstract: LLMs have become the state-of-the-art algorithms for solving NLP tasks. However, they typically come at huge computational and memory costs, thus making them difficult to deploy on embedded systems. Toward this, state-of-the-art methods typically employ uniform post-training quantization (PTQ) across attention blocks of the network, hence overlooking the potential of applying different quantization levels in the same network. They also employ complex operations to mitigate the negative impact of activation outliers, hence incurring high computational overheads. Moreover, they have not considered evaluation using emerging LLMs with non-conventional attention architectures (e.g., state-space models), which pose different challenges in applying quantization. To address these limitations, we propose QuBLAST, a novel PTQ methodology that employs block-level compression approach with activation scaling strategy for LLMs. Block-level compression approach enables mixed-precision quantization across blocks of the network, while activation scaling strategy efficiently mitigates the negative impact of activation outliers. Specifically, QuBLAST first analyzes the sensitivity of different attention blocks in the pre-trained model through the cross-entropy loss analysis. QuBLAST leverages this sensitivity analysis to determine the weight quantization level for each attention block in the model. Furthermore, QuBLAST employs the activation scaling map for each block to control the range of activation values and mitigate the negative impact of activation outliers, thereby enabling better quantization results. Experimental results show that, QuBLAST reduces model sizes by 40%-45.2% across different model architectures (i.e., Qwen3-8B, Llama3-8B, Mistral v0.1-8B, and Falcon H1R-7B), while maintaining the performance within 5% perplexity increase for the WikiText-2 and WikiText-103 datasets.
Authors: Liyi Feng, Yifa Tang, Yulin Xie, Ruili Zhang, Aiqing Zhu
Abstract: High-dimensional Hamiltonian systems play a central role in many scientific and engineering disciplines, with dynamics evolving on symplectic manifolds. Although deep learning provides powerful tools for constructing low-dimensional surrogates from data, the intrinsic symplectic structure is easily destroyed during model reduction. As a result, a standard autoencoder may produce latent coordinates that do not support a Hamiltonian flow, leading to unstable long-time prediction. In this paper, we first establish a universal approximation theorem for symplectic embeddings. Based on this theory, we propose symplecticity-preserving autoencoders (SpAE), in which the decoder is parameterized as a symplectic embedding and the encoder is constructed as the corresponding symplectic projection. This architecture is expressive enough to approximate nonlinear symplectic embeddings and the associated symplectic projections, preserves the symplectic structure exactly by construction, and can be trained by standard unconstrained optimization, thereby improving both reconstruction and prediction accuracy. Extensive experiments on high-dimensional lattice and particle systems demonstrate the effectiveness of the proposed method.
Authors: Teqi Hao, Yuxuan Fu, Xiaoyu Tan, Shaojie Shi, Bohao Lv, Yinghui Xu, Xihe Qiu
Abstract: Mechanical ventilation for Acute Respiratory Distress Syndrome (ARDS) requires balancing competing physiological goals, including oxygenation, lung protection, and acid-base homeostasis. However, current data-driven methods, especially those imitating retrospective Electronic Health Records (EHR), often suffer from imitation bias. They may capture superficial correlations from inconsistent clinical demonstrations, such as associating passive ventilator settings with survival because such settings are common in stable patients, and thus fail to generalize to volatile or out-of-distribution phenotypes. Standard Reinforcement Learning (RL) methods also struggle with the adversarial trade-offs of critical care and often produce opaque policies with limited clinical interpretability. To address these limitations, we introduce VentAgent, a hierarchical framework in which Large Language Models (LLMs) act as transparent arbitrators for mechanical ventilation. We reformulate ventilation control as a dynamic Multi-Objective Arbitration process rather than single-objective optimization. VentAgent decomposes decision-making into three interpretable stages: Perception, Planning, and Orchestration. By leveraging the semantic reasoning capabilities of LLMs, it synthesizes strategies from heterogeneous experts and resolves conflicting clinical priorities through an explicit coordination mechanism. Evaluations on a high-fidelity physiological simulator show that VentAgent outperforms state-of-the-art RL and classical control baselines. Moreover, it converts control decisions into human-readable reasoning chains, offering a safer, more interpretable, and adaptable paradigm for critical care automation.
Authors: Sabine Rieder, Stefan Pranger, Debraj Chakraborty, Jan K\v{r}et\'insk\'y, Bettina K\"onighofer
Abstract: Trust in a decision-making system requires both safety guarantees and the ability to interpret and understand its behavior. This is particularly important for learned systems, whose decision-making processes are often highly opaque. Shielding is a prominent model-based technique for enforcing safety in reinforcement learning. However, because shields are automatically synthesized using rigorous formal methods, their decisions are often similarly difficult for humans to interpret. Recently, decision trees became customary to represent controllers and policies. However, since shields are inherently non-deterministic, their decision tree representations become too large to be explainable in practice. To address this challenge, we propose a novel approach for explainable safe RL that enhances trust by providing human-interpretable explanations of the shield's decisions. Our method represents the shielding policy as a hierarchy of decision trees, offering top-down, case-based explanations. At design time, we use a world model to analyze the safety risks of executing actions in given states. Based on this analysis, we construct both the shield and a high-level decision tree that classifies states into risk categories (safe, critical, dangerous, unsafe), explaining why a situation may be safety-critical. At runtime, we generate localized decision trees that explain which actions are allowed and why others are deemed unsafe. Our method facilitates explainability of the safety aspect in safe-by-shielding reinforcement learning, requires no additional information beyond what is already used for shielding, incurs minimal overhead, and integrates readily into existing shielded RL pipelines. In our experiments, we compute explanations using decision trees that are several orders of magnitude smaller than the original shield.
Authors: Pascal Plettenberg, Denis Huseljic, Andr\'e Alcalde, Bernhard Sick, Josephine M. Thomas
Abstract: Active learning (AL) for node classification typically focuses on selecting the most informative nodes for annotation within one or a few large graphs (e.g., in social network analysis). However, in other domains, such as molecular chemistry or electronic design automation, datasets consist of thousands of independent graphs. In many of these inductive settings, annotating an individual node requires a full-graph analysis, which effectively yields the remaining node labels on-the-fly. Therefore, these scenarios require AL strategies that select entire graphs instead of single nodes, a problem which has not been tackled in the literature so far. Thus, we introduce ALINC, an AL framework for inductive node classification via graph sampling. It bridges the existing methodological gap by elevating node-level utility measures to graph-level selection criteria through various aggregation mechanisms. In an extensive benchmark including ten strategies, three aggregation methods, and four datasets, we identify CoreSet, TypiClust, and BADGE as the top-performing graph sampling strategies. Our detailed analysis further reveals that the choice of the aggregation method is pivotal, as it substantially affects model performance and annotation costs. Finally, we demonstrate the effectiveness of ALINC in two use case studies: site-of-metabolism prediction in molecules and design automation of printed circuit board schematics.
Authors: Shuche Wang, Fengzhuo Zhang, Jiaxiang Li, Dirk Bergemann, Zhuoran Yang
Abstract: Muon improves training efficiency over Adam in large language-model training by about two times, but the local geometric source of this advantage remains unclear. Our work takes a first step toward demystifying Muon's superiority over Adam from a curvature perspective. First, we apply a second-order Taylor approximation to the training landscape and show that Muon achieves a larger one-step loss decrease than Adam at matched validation loss. The two optimizers have comparable first-order gains, but Muon consistently incurs a smaller second-order curvature penalty. Second, we decompose this curvature penalty into the squared update norm and Normalized Directional Sharpness (NDS). We find that Muon and Adam have comparable update norms, so Muon's smaller curvature penalty is driven by lower NDS, not update scale. Third, we study how training data and model structure shape Muon's NDS advantage. Using Zipf-Probabilistic Context-Free Grammar (PCFG) data with controlled imbalance, we show that data imbalance amplifies Muon's NDS advantage over Adam. A within-/cross-layer decomposition further shows that, in the middle and late stages of training, Muon's lower NDS is mainly sustained by smaller within-layer curvature. Beyond empirical evidence, we analyze stylized quadratic problems with heterogeneous curvature and gradient alignment toward high-curvature modes. We prove that Muon attains a smaller average NDS than GD by balancing update energy across curvature groups; when curvature heterogeneity is sufficiently strong, this also yields lower local quadratic loss after the same number of steps.
Authors: Kaichao You, Ximei Wang, Mingsheng Long, Michael I. Jordan
Abstract: Deep unsupervised domain adaptation (Deep UDA) methods successfully leverage rich labeled data in a source domain to boost the performance on related but unlabeled data in a target domain. However, algorithm comparison is cumbersome in Deep UDA due to the absence of accurate and standardized model selection method, posing an obstacle to further advances in the field. Existing model selection methods for Deep UDA are either highly biased, restricted, unstable, or even controversial (requiring labeled target data). To this end, we propose \textit{Deep Embedded Validation} (\textbf{DEV}), which embeds adapted feature representation into the validation procedure to obtain unbiased estimation of the target risk with bounded variance. The variance is further reduced by the technique of control variate. The efficacy of the method has been justified both theoretically and empirically.
Authors: Ayushman Raghuvanshi, Thummaluru Siddartha Reddy, Sundeep Prabhakar Chepuri, Mahesh Chandran
Abstract: Continuous-time dynamic graphs (CTDGs) provide a richer framework to capture fine-grained temporal patterns in evolving relational data. Long-range information propagation is a key challenge while learning representations, wherein it is important to retain and update information over long temporal horizons. Existing approaches restrict models to capture one-hop or local temporal neighborhoods and fail to capture multi-hop or global structural patterns. To mitigate this, we derive a parameter-efficient state-space modeling framework for continuous-time dynamic graphs (CTDG-SSM) from first principles. We first introduce continuous-time Topology-Aware higher order polynomial projection operator (CTT-HiPPO), a novel memory-based reformulation of HiPPO to jointly encode temporal dynamics and graph structure. The solution from CTT-HiPPO is obtained by projecting the classical HiPPO solution through a polynomial of the Laplacian matrix, yielding topology-aware memory updates that admit an equivalent state-space formulation for CTDGs (CTDG-SSM). Then a computationally efficient discrete formulation is obtained using the zero-order hold approach for model implementation. Across benchmarks on dynamic link prediction, dynamic node classification, and sequence classification, CTDG-SSM achieves state-of-the-art performance. Notably, it achieves large performance gains on datasets that require long range temporal (LRT) and spatial reasoning.
Authors: Yacouba Kaloga, Shashi Kumar, Shakeel A. Sheikh, Driss Khalil, Petr Motlicek, Ina Kodrasi
Abstract: End-to-end ASR systems typically use fixed-depth acoustic encoders at inference, making it difficult to trade additional test-time computation for improved recognition without training a larger model. A natural approach is to reuse a shared Transformer block recurrently, but we find that naive looping does not fully exploit additional recurrent compute. We introduce LARM, a depth-conditioned looped Transformer that turns recurrent encoder depth into a controllable test-time compute axis. LARM combines sparse CTC checkpoints, supervision-clock embeddings, FiLM depth conditioning, and delayed soft-posterior feedback. These components structure the loop into recognition checkpoints separated by latent refinement phases and allow shared weights to specialize across recurrent steps. On LibriSpeech, LARM improves WER as the number of inference loops increases and achieves performance competitive with deeper unshared-parameter baselines. Our results show that test-time compute scaling can extend beyond autoregressive language-model reasoning to continuous non-autoregressive speech recognition.
Authors: Lei Luo, Hongliang Zhang, Jian Yang
Abstract: High-dimensional optimal transport is seldom available in closed form. The one-dimensional case is exceptional because the order of the real line is compatible with convex transport costs, making monotone rearrangement optimal. This paper studies when an analogous Monge structure can be recovered in higher dimensions from a partial order. We introduce a cone-compatible Monge geometry: a closed convex cone (K) induces the order (x\preceq_K y) whenever (y-x\in K), and is compatible with a cost if ordered pairs satisfy a Monge exchange inequality. For squared Mahalanobis costs (c_M(x,y)=(x-y)^\top M(x-y)), we prove a sharp characterization: compatibility holds exactly when (K) is acute under the (M)-inner product, namely (u^\top Mv\ge0) for all (u,v\in K), equivalently (K\subseteq K_M^*). Under this condition, measures supported on cone chains admit a quantile-type closed-form optimal coupling, yielding exact transport under the original ground cost rather than after projection or metric replacement. We distinguish the resulting cone-chain Wasserstein metric on canonically ordered chain distributions from an extended directed cone transport cost on general measures, and develop feasibility, duality, stability, approximation, Gaussian recovery, statistical, and computational results. The theory is complementary to sliced and tree Wasserstein distances: it is not a universal fast surrogate, but a way to obtain interpretable, direction-valid, original-space monotone transport for ordered high-dimensional data.
Authors: Yogesh Kumar, Vrushank Ahire, Mudasir Ganaie
Abstract: Early and accurate detection of Alzheimer's disease (AD) is important for timely intervention and disease management. Generalized Eigenvalue Proximal Support Vector Machine (GEPSVM) and its Universum-based variants have shown promising results for AD classification. However, existing methods treat Universum samples as independent points and do not consider the geometric relationships among them. This paper proposes two graph-guided Universum learning models, namely UG-GEPSVM and IUG-GEPSVM, for AD versus cognitively normal (CN) classification using structural MRI data. In the proposed framework, mild cognitive impairment (MCI) subjects are used as Universum data to provide intermediate information between AD and CN classes. A graph is constructed over the Universum samples using Gaussian similarity, Minimum Spanning Tree connectivity, and multi-hop propagation. From this graph, a Laplacian matrix is derived that captures the geometric structure of the MCI samples. This Laplacian-based regularization is incorporated into the learning process in place of the conventional independent Universum penalty term. UG-GEPSVM integrates this regularization into the generalized eigenvalue formulation, while IUG-GEPSVM extends the numerically stable improved GEPSVM framework using a standard eigenvalue formulation. Experiments on ADNI MRI dataset variants using ICA- and PCA-based features at five different noise levels show that both proposed models consistently outperform existing GEPSVM and Universum-based methods. UG-GEPSVM achieves the highest average AUC of 88.07% and maintains stable performance under increasing noise levels. Statistical tests further confirm the significance of the observed improvements.
Authors: Jannik Presberger, Alexander M\"annel, Maynard Koch, Thomas C. Schmidt, Matthias W\"ahlisch, Bjoern Andres
Abstract: Understanding activities of Internet scanners is challenging; it often requires identifying relationships between sources, a task for which semantic annotations are scarce. This work investigates whether semantically meaningful pairwise relationships between sequences of network flow records can be estimated by contrastive learning, without pretraining and without annotations. To this end, we propose a transformer model that embeds minimally preprocessed sequences of network flow records and train it using contrastive learning. With the similarities obtained from this model, we state a correlation clustering problem and solve it locally. Experimentally, we show: Learned similarities are higher on average for sequences originating from the same source than for sequences originating from different sources, and this property generalizes to unseen sequences of unseen sources. Moreover, correlation clustering yields clusters consistent with scanner labels. The complete source code of the algorithms and for reproducing the experiments is publicly available.
Authors: Viktor Vesel\'y, Aleksandar Todorov, Erwan Escudie, Matthia Sabatelli
Abstract: Temporal credit assignment is central to both biological and artificial intelligence, yet its interaction with non-linear function approximation is poorly understood. We identify a systematic failure mode in deep reinforcement learning (RL) termed Trace-Mediated Peak Bias (TMPB). At intermediate eligibility trace depths, agents irrationally prefer trajectories with high-magnitude reward ``peaks'' over alternatives with higher cumulative returns. This provides a mechanistic account of the Peak-End Rule: a human memory bias where experiences are judged by their most intense moments rather than integrated utility. We show that TMPB emerges because traces amplify distal Temporal Difference errors into ``gradient shocks'' that fixed-step-size Stochastic Gradient Descent cannot normalize, leading to global overestimation. Conversely, adaptive optimizers mitigate this pathology via second-moment normalization. Our results suggest that human-like saliency distortions may emerge naturally from the mathematical constraints of credit assignment in distributed systems, and that adaptive optimization is a theoretical necessity for rational value estimation.
Authors: Yingjie Shao, Ioannis N. Athanasiadis, George van Voorn, Taniya Kapoor
Abstract: Physics-informed neural networks (PINNs) have become a promising framework for simulating partial differential equations (PDEs) by embedding physical laws directly into neural network training. However, recent studies show that PINN optimisation is sensitive to numerical precision. Existing implementations commonly use either single precision (FP32), which is computationally efficient but prone to failure modes, or double precision (FP64), which is robust but substantially expensive. This creates a trade-off between computational efficiency and numerical accuracy. To reduce the computational cost of double-precision training while retaining prediction accuracy, we propose a curvature-aware precision controller that adapts numerical precision during training rather than treating it as a fixed implementation choice. The proposed method reuses curvature information derived from the limited-memory BFGS (L-BFGS) optimiser to construct a precision controller, retaining FP32 when lower precision is sufficient and promoting computation to FP64 when the training dynamics indicate numerical sensitivity or precision-limited stagnation. We evaluate the proposed approach on four canonical PINN failure-mode benchmarks and an irradiance-driven ordinary differential equation example. We further test the proposed approach across different neural network architectures. The method consistently matches or even slightly exceeds full FP64 solution accuracy while reducing training time relative to full double-precision training on all benchmark equations. The obtained results indicate that precision sensitivity in PINN optimisation is phase-dependent, and that selectively applying higher precision only during numerically critical stages can lower computational cost without sacrificing predictive accuracy.
Authors: Ossi Lehtinen
Abstract: Transformers consuming multi-channel scalar signals must embed $C$ simultaneous values into one $d_{\text{model}}$-dimensional vector per time step. We empirically audit eight input encoders -- spanning a shared-scalar baseline, per-channel linear projections, an orthogonality regulariser, a nonlinear MLP stem, block-partitioned concatenation, channel-independent and channel-as-token architectures, and a projected positional encoding -- on a synthetic benchmark designed to make channel identity informative and on ETTh1 as a real-data check, measured in next-step negative log-likelihood (NLL). The headline is one of practical near-equivalence within a wide "top tier": the standard per-channel linear projection (nn.Linear(C, $d_{\text{model}}$)) matches every alternative in that tier up to small, statistically real but practically modest, differences. Two encoders lose decisively: the shared-scalar baseline, which collapses for information-theoretic reasons we make explicit, and the channel-independent PatchTST-spirit baseline, which underperforms on both benchmarks and overfits universally on the synthetic one. Paired tests resolve two small gaps: projecting the sinusoidal positional encoding through a learned linear layer edges the rest at small $C$, with a direct geometric probe showing the mechanism is positional-channel orthogonalisation; a nonlinear MLP stem edges them at the largest $C$ we test, with the gap shrinking under more training data. The practical recommendation is to use nn.Linear(C, $d_{\text{model}}$) by default and reach for something more elaborate only when the task at hand gives a real reason to do so. Code and data to reproduce every experiment in this paper are available at https://github.com/OssiLehtinen/channel-encoder-audit
Authors: Vincent B\"urgin, Daniel Herbst, Ya-Wei Eileen Lin, Stefanie Jegelka
Abstract: Many striking phenomena in deep learning, such as linear mode connectivity and the structured behavior of training dynamics, are closely tied to parameter symmetries: transformations that leave the realized function unchanged. Despite growing attention to parameter symmetries, the exact interplay between parameters, data, and representations remains underexplored. To investigate this, we develop a theoretical framework of effective function classes, i.e., the set of functions a neuron can realize on its input support, and the norm cost of realizing them. We then formalize effective symmetry breaking via neuron identifiability across independent training runs. Our analysis shows that neural networks can admit large families of approximately equivalent solutions even in structurally asymmetric models. We further show that neuron identifiability enables representation merging without prior alignment, and characterize when such merging admits a linear low-loss path. These findings highlight the role of effective function classes in affecting the loss landscape.
Authors: Chong Zhang, Xiang Li, Jia Wang, Qiufeng Wang, Xiaobo Jin
Abstract: The robustness of deep neural networks is crucial for safety-critical deployments, yet existing evaluation methods are often attack-dependent and lack interpretability. We propose a principled, attack-agnostic robustness metric based on the spectral norm of the Fisher Information Matrix (FIM), which quantifies the worst-case sensitivity of the model's output distribution to input perturbations. Theoretically, we establish that the FIM equals the variance of the input Jacobian and derive closed-form spectral bounds for common architectures, including VGG, ResNet, DenseNet, and Transformer, providing the first theoretical robustness ranking. To enable scalable evaluation, we develop efficient algorithms, including power iteration and Hutchinson-based estimation, that support both white-box and black-box settings. Extensive experiments across multiple datasets, including CIFAR, ImageNet, and medical images, and across multiple architectures show a strong correlation between our metric and adversarial vulnerability. Our framework serves as an interpretable diagnostic tool that complements attack-based evaluations, offering insights into architectural sensitivity and guiding the design of more robust models. Code is available at: https://github.com/franz-chang/SRP/.
Authors: Jihoon Hong, Alice Chan, Qiyue Dai, Julian Skifstad, Glen Chou
Abstract: Text-to-video (T2V) models trained on large-scale web data can generate undesired content, motivating interventions that reduce harmful outputs without sacrificing visual quality. Activation steering offers an attractive mechanistic alternative to finetuning and prompt filtering, but existing T2V steering methods remain limited, typically applying coarse, non-anticipative interventions that can lead to oversteering and content degradation. To close this gap, we propose Latent Activation Linear-Quadratic Regulator (LA-LQR), a reduced-order optimal control framework for minimally invasive T2V steering. LA-LQR formulates T2V inference as a dynamical system and computes closed-loop feedback interventions that steer activations toward desired feature setpoints while penalizing unnecessary perturbations. To make optimal control feasible for high-dimensional video activations, we project activations onto a low-dimensional, task-relevant subspace derived from contrastive prompt pairs, estimate local linear dynamics in this latent space, and solve a latent LQR problem to obtain timestep- and layer-specific steering signals. We provide theoretical bounds relating latent setpoint tracking to raw activation-space feature control, and empirically validate the fidelity of the reduced latent dynamics. On concept steering and video safety benchmarks, LA-LQR reduces unsafe generations relative to baselines, while preserving prompt fidelity and visual quality.
Authors: Antonia Karra, Vasiliki Papanikou, Georgios Vardakas, Evaggelia Pitoura, Aristidis Likas
Abstract: Clustering is increasingly used to support high-impact decisions, yet standard objectives such as k-means can produce clusterings that treat demographic groups unequally. Existing fair clustering methods typically optimize a single notion of fairness and often overlook how clustering costs interact with the geometry of the induced decision boundaries. We propose UniFair, a unified framework that jointly optimizes separation fairness and social fairness. Separation fairness encourages protected groups to lie farther from the induced decision boundaries, while social fairness reduces disparities in within-cluster distortion by penalizing group-wise clustering costs. We develop gradient-based optimization procedures for separation-fair and unified k-means objectives, and extend them to deep clustering by enforcing the same criteria in the latent space of an autoencoder. Experiments on tabular and image datasets show that UniFair reduces both boundary-related and cost-based group disparities with only a modest increase in clustering loss.
Authors: Maximilian Burzer, Till Riedel, Michael Beigl, Tobias R\"oddiger
Abstract: Sensor-based Human Activity Recognition (HAR) models often degrade on unseen users due to domain shifts caused by individual movement patterns and sensor placement. Practical wearable HAR systems therefore require personalization methods that are lightweight, applicable whether calibration data is labeled, unlabeled, or unavailable, and robust under limited calibration. We present a gradient-free framework that repurposes pretrained HAR classifiers as Prototypical Networks using using prior prototypes, which preserve zero-shot performance and regularize adaptation. For labeled calibration, we introduce closed-form Bayesian prototype estimation and extend the same principle to unlabeled calibration. With only 3 seconds of calibration data per activity (one shot), supervised adaptation improves macro-F1 by +2.76 to +33.44 percentage points across four datasets, while unsupervised adaptation improves by +0.56 to +32.13 points. Since adaptation requires only closed-form prototype updates, the framework enables efficient and robust on-device personalization of preexisting HAR classifiers.
Authors: Jian Xu, Delu Zeng, John Paisley, Qibin Zhao
Abstract: Generative models -- diffusion and flow matching -- are increasingly used to solve partial differential equation (PDE) inverse problems, enforcing the governing physics as a \emph{hard constraint} (via projection or guidance) and reporting the resulting samples as a Bayesian posterior with calibrated uncertainty. We show that this widely adopted recipe samples the wrong distribution. Conditioning a generative prior on a hard PDE constraint is conditioning on a measure-zero manifold -- an operation that is intrinsically ambiguous (the Borel--Kolmogorov paradox) and whose physically correct resolution, the small-residual-noise limit, carries a co-area (Fixman) Jacobian factor $[det(JJ^{\top})]^{-1/2}$ that projection- and guidance-based methods silently omit. We make the bias precise, show that it grows with the heterogeneity of the constraint sensitivity, and validate it on controlled problems against an \emph{i.i.d.} ground-truth arbiter. The omitted factor is not a second-order detail: removing it inflates the posterior error to $20\times$ the sampling-noise floor; minimal-displacement projection (as in PCFM) is biased at $9\times$ the floor; and a naive scalar reweighting does not fix it. We introduce \textbf{CoCoS}, a measure-aware constrained sampler that targets the correct co-area posterior, and show that it matches the gold-standard posterior to within sampling noise. Our results imply that ``satisfying the physics'' is not the same as ``sampling the posterior,'' and give a principled correction for uncertainty-aware scientific inference.
Authors: Mohit Prashant, Arvind Easwaran
Abstract: Guaranteeing safety is critical to the deployment of reinforcement learning (RL) agents in the real-world, especially as policies learned using deep RL may demonstrate susceptibility to transition perturbations that result in unknown or unsafe behaviour. A method of policy verification is to construct probabilistic barrier-certificates by sampling policy trajectories with respect to safety constraints, thereby demarcating known safe behaviour from unknown behaviour. Obtaining tight upper and lower bounds on the probability of violation of these constraints may be difficult if the policy is susceptible to transition uncertainty or perturbation that places the agent in insufficiently explored states. To address this, we approximate the distribution of the encountered state-space using a variational autoencoder (VAE) and construct upper and lower-bound barrier-certificates using latent characteristics of states to optimize for regions of known, safe behaviour with high confidence. We frame this in our work as a dual optimization problem where the lower-bound barrier-certificate presents a more conservative estimate of the safe region than the upper-bound barrier-certificate. Sampling states that lie within the set difference of the two during training, i.e. the non-robust region, allows us to tighten the upper and lower bounds to provide sharper probabilistic guarantees on safety. Within our study, we describe the guarantees placed and demonstrate the tightness of our bounds experimentally.
Authors: Bo Mao, Jie Zhou, Yutao Yang, Xin Li, Xian Wei, Qin Chen, Xingjiao Wu, Liang He
Abstract: Lifelong learning is essential for Large Language Model (LLM) agents operating in dynamic, interactive environments. However, existing lifelong learning agents for long-horizon tasks typically depend on discrete skill or past experiences retrieval with static parameters during inference, which prevents them from continuously internalizing test-time feedback like human learners. To bridge this gap, we propose Skill-enhanced Test-Time Co-Evolution (\texttt{LifeSkill}), a two-stage reinforcement learning framework for Online Lifelong Learning Agents. Specifically, we design Verifier-Guided Skill Learning that addresses the lack of direct supervision for skill extraction by rewarding candidate skills according to the average verifier success of multiple skill-conditioned policy rollouts, encouraging the model to generate skills that are useful for solving tasks rather than merely plausible in text. Furthermore, we introduce Online Skill Internalization, which continuously improves the policy model during test-time interaction by transforming skill-conditioned trajectories into reward signals. This enables the agent to directly internalize reasoning capabilities into its parameters, avoiding the context bloat of experience retrieval. Experiments on LifelongAgentBench show that LifeSkill improves average performance by 7 absolute points by comparing with existing lifelong agent baselines.
Authors: Dario Rancati, Max Welling, Francesco Locatello
Abstract: Causal modeling of physical temporal phenomena must handle interventions that act along trajectories, nonstationary induced laws, path-dependent effects, and feedback mediated by dynamics, all challenging in standard causal models. We introduce Hamiltonian Causal Models (HCMs), a trajectory-level framework in which observed variables interact with local environments and interventions act as controls of Hamiltonian mechanisms. HCMs separate immutable equations of motion from intervenable mechanisms and define causal effects as discrepancies between interventional path laws. A key motivation for HCMs is their natural interface with non-equilibrium thermodynamics. Entropy production quantifies the irreversibility of a process and is a central causal observable: it is estimable from data and witnesses causal effects along the system's evolution that are invisible to endpoint and cumulative versions of the standard average treatment effect. As in physics, cause and effect are not primitives of the relation between two random variables but arise from the non-invertibility of the thermodynamic arrow. With this, our paper reconciles the language of statistical causal models and non-stationary thermodynamics, offering new tools to describe causality in a wide range of physical systems.
Authors: Balthazar Courvoisier, Tristan Cazenave
Abstract: Initially developed for natural language processing, Transformer architectures and attention mechanisms are now central to a wide range of deep learning models, including applications in time series forecasting. A standard attention mechanism, however, implicitly assumes homophilic interactions, limiting its ability to model data with positive and negative dependencies, such as time series. In this work, we introduce the Signed Dual Attention, a novel attention formulation that captures both positive and negative relational patterns without additional parameters. By leveraging a dual message-passing scheme inspired by correlation structures, Signed Dual Attention propagates both supportive and contrastive information within a single shared block, effectively achieving the expressiveness of two head attention without additional parameters. This module can be seamlessly integrated into existing architectures and can yield performance gains in certain situations, requiring signed relational modeling. This approach opens a pathway toward more expressive and parameter-efficient transformers.
Authors: Qian Li, Xinyu Mao, Shang-Hua Teng, Guangxu Yang
Abstract: Minimum Description Length (MDL) formalizes the principle of Occam's razor by optimizing the total description length: $L(\mathrm{model})+L(\mathrm{data} \ | \ \mathrm{model})$. For sequential prediction, the MDL method repeatedly selects a model with a minimum objective score of the observed prefix for the next step prediction. Classical MDL prediction theory shows that exact optimization of the MDL objective indeed provides a strong compression guarantee that supports reliable prediction. However, practical machine learning usually can only find models by approximately optimizing the objective function. To bridge this gap, this paper addresses the following fundamental question: Under what forms of approximation and regularization does approximate MDL still guarantee reliable sequential prediction? This work offers a principled characterization. We prove that for any approximation with additive slack $C$ of the more general form of the balanced MDL objective: $\lambda\cdot L(\mathrm{model})+L(\mathrm{data} \ | \ \mathrm{model})$, the cumulative expected squared prediction error is finite for all $\lambda\ge1$. The case $\lambda>1$ is proved by an affinity-telescoping argument, while the boundary case $\lambda=1$ is proved by a likelihood-ratio stopping argument based on exact static MDL bounds. Our results establish that classical MDL regularization remains robust to any fixed additive optimization error. Furthermore, we establish that our characterization of the approximate MDL framework is sharp: When $0<\lambda<1$, overfits can happen to incur infinite cumulative expected error in the universal class of estimable measures, and hence a strong form of model-complexity regularization is necessary. In addition, model selection may fail in every regularized regime $\lambda >0$, under multiplicative approximation, and thus, additive approximation is both sufficient and essential.
Authors: Yuyang Du, Yujun Huang, Gioele Zardini
Abstract: Designing a neural network processor is an end-to-end co-design problem: network architecture and training budget determine the inference workload; hardware mapping decisions determine chip area, latency, and energy; and these characteristics govern fabrication yield and manufacturing cost. In practice, these decisions are made in separate stages, and existing co-design methodologies are tightly coupled to specific algorithms, making it difficult to improve one component without reworking the entire pipeline. This paper presents a unified framework, grounded in monotone co-design theory, that composes four interoperable design blocks spanning network training, chip mapping, wafer-level fabrication, and compute resource allocation. Each block exposes only a functionality-resource interface to the rest of the system, so any block can be refined without structural changes elsewhere. A central contribution is the treatment of uncertainty: rather than collapsing stochastic outcomes into point estimates, the framework introduces Confidence, the inverse of success probability, as an explicit and optimizable resource alongside cost, time, and power. Three case studies validate the approach. The first recovers Pareto-optimal implementations across heterogeneous application scenarios. The second confirms that Confidence functions as a continuously tunable design knob rather than a post-hoc diagnostic. The third demonstrates that improving a single block's implementation set automatically propagates to the global Pareto front, without modifying the co-design diagram.
Authors: Haolu Liu, Xiyue Wang, Xuanting Xie, Liangjian Wen, Zhao Kang
Abstract: Standard IMVC evaluation retrains separate models for different missing-data configurations. We show that this paradigm obscures a fundamental vulnerability: missing rate alone is insufficient to characterize data incompleteness. Specifically, we show that protocols with identical nominal missing rates can differ by up to $50\times$ in their proportion of fully observed samples, inducing drastically different learning regimes. We formalize this phenomenon as incompleteness divergence, providing measures that capture structural disparities across missing-data protocols. We further prove that for a broad class of reconstruction-based objectives, learning becomes structurally ill-posed when the proportion of complete samples falls below a critical threshold, leading to near-random performance. To bypass this theoretical bound, we propose CRAFT (Complete-data Robust Attention-masked Fusion Transformer). CRAFT shifts the burden of robustness from the loss function to the architecture via two key properties: (i) per-sample independence, which removes reliance on complete-sample co-occurrence, and (ii) mask-aware variable-length fusion, which aggregates only observed views through attention masking. This design allows a single model, trained once on complete data, to generalize to diverse missing patterns at inference time without retraining. Extensive experiments on seven benchmarks show that CRAFT matches or outperforms per-configuration baselines while reducing training overhead by $8.8\times$, demonstrating that robustness to missing data can be achieved as an inherent architectural property. Code (CRAFT) and our imvc-audit toolkit are available at https://anonymous.4open.science/r/CRAFT-BF80/ and https://anonymous.4open.science/r/imvc-audit-8263/.
URLs: https://anonymous.4open.science/r/CRAFT-BF80/, https://anonymous.4open.science/r/imvc-audit-8263/.
Authors: Siddharth Sahay
Abstract: Finding optimal solution paths for combinatorial puzzles like the Rubik's Cube, sliding tile puzzles, and Lights Out remains a classical challenge in artificial intelligence. Heuristic search algorithms, such as A* , guarantee path optimality only when using an admissible heuristic-one that never overestimates the true remaining cost-to-go. Deep reinforcement learning (RL) methods like DeepCubeA train deep neural networks to approximate cost-to-go heuristics. However, standard mean-squared error (MSE) training regularly yields overestimations, violating admissibility and compromising solution optimality. In this paper, we introduce a generalizable framework for learning validation-calibrated admissible neural heuristics. We train a value network using an underestimating Admissible Bellman Operator combined with an Asymmetric Loss function to penalize overestimation. To account for residual neural function approximation errors, we propose a post-hoc calibration safety offset computed over validation scrambles. We demonstrate that our calibrated neural heuristics achieve no observed admissibility violations under the evaluation protocol and preserve path optimality in practice while reducing search node expansions by up to 83.0% on a 2 by 2 Rubik's Cube, 19.9% on a 3 by 3 Lights Out grid, and 1.9% on an 8-Puzzle compared to standard analytical baselines.
Authors: Leona Hennig, Jasmin Brandt, Lukas Fehring, Barbara Hammer, Marius Lindauer, Marcel Wever
Abstract: Large-scale hyperparameter optimization (HPO) in automated machine learning (AutoML) consumes substantial computational resources, raising growing concerns about scalability and energy efficiency. Existing methods use prior information heuristically to accelerate both black-box and multi-fidelity settings, but they lack a characterization of how prior informativeness quantitatively reduces sample complexity. In this work, we provide the first distribution-dependent sample complexity bounds for multi-fidelity HPO with priors through the formal lens of fixed-budget best-arm identification. By modeling priors directly over arm means as configuration performance, we derive explicit, distribution-dependent error bounds that quantify the relationship between priors and evaluation budget. Our analysis shows that informative priors, which concentrate probability mass on near-optimal arms, yield reductions in the number of required evaluations, whereas baseline performance is recovered with uninformative or misleading priors. We conduct proof-of-concept experiments on a synthetic benchmark and on LCBench, a common multi-fidelity HPO benchmark for deep learning, to confirm our theoretical results, achieving up to 90% budget reduction while retaining solution quality. Together, our results provide a principled foundation for prior-guided and compute-efficient green AutoML.
Authors: Mustafa Tajjar, Alexander Pfefferle, Lennart Purucker, Frank Hutter
Abstract: Tabular foundation models, such as TabPFN, achieve strong performance on tabular datasets with numerical and categorical data, but do not natively handle high-cardinality text features. Standard pipelines, therefore, embed text with a language model and compress the resulting vectors with PCA into a small number of scalar features before inputting them into TabPFN. This creates an information bottleneck: most embedding dimensions are discarded, and the compressed representation must then be expanded again by TabPFN's feature encoder. End-to-end alternatives can avoid PCA, but they require large amounts of pretraining data containing text cells and usually perform subpar compared to tabular foundation models that were pretrained on large amounts of synthetic data. Inspired by modality-alignment approaches like LLaVA (vision-to-LLM token projection) and TableGPT-style systems (table-to-LLM token projection), we introduce the TabPFN Text Adapter (text-to-TFM token projection). We freeze both the sentence encoder and TabPFN, and train only a lightweight adapter that maps text embeddings into a short sequence of tokens in TabPFN's embedding space. This design removes the PCA bottleneck, preserves TabPFN's numerical strengths, and is more efficient to train than end-to-end text-tabular pipelines.
Authors: Piotr Frydrych
Abstract: Worker utility is not observed -- only its consequence is. Each gig transaction produces a single bit: accepted or rejected. We argue this structure points directly to the Preisach hysteresis model as the natural representation of latent worker preferences. The Preisach operator models aggregate output as an integral over a population of binary threshold elements -- precisely the structure that emerges when heterogeneous workers each carry a private acceptance wage. We estimate two latent utility surfaces: acceptance utility U_1(X) and rejection utility U_0(X), via a dual-output neural network (shared layers 256->128, margin loss enforcing U_1 >= U_0). Classification reduces to the Preisach gap U_1(X) - U_0(X), passed into an XGBoost classifier alongside clip-stabilised price-to-threshold encodings. On 36,891 gig transactions, this pipeline achieves Jaccard = 0.827 and ROC AUC = 0.799. The price-to-threshold encoding accounts for +11.0 pp AUC over raw utility features. The model confirms the directional asymmetry hysteresis predicts: price decreases depress completion rates more than equivalent increases raise them. Applied to the full dataset, the model's recommendations simultaneously reduce the total wage bill by 21.3% and increase expected fill rate by 9.7 pp. For 74.2% of transactions, P(accept) already exceeds 0.80; reducing the wage keeps it above threshold (mean post-cut P = 0.972), releasing cost savings (median 31%). For the remaining 25.4%, a median 7% wage increase recovers +43 pp acceptance. A model without an explicit indifference zone cannot execute both moves simultaneously.
Authors: Chin-Yuan Yeh, Ting-An Chen, De-Nian Yang, Ming-Syan Chen
Abstract: Quantizing deep neural networks is essential for efficient inference on resource-constrained devices. However, most existing methods are designed for single-domain and class-balanced data, leaving practical settings with domain shifts or severe class imbalance underexplored. We address these challenges with Efficient Multi-Domain Alignment Quantization (EmaQ), which aligns domain distributions through a CDF-based projection and uses sensitivity-aware weight aggregation to stabilize multi-domain quantization. We further extend EmaQ to EmaQ-LT for long-tailed quantization by introducing class-conditioned variance scaling and confidence-based logit adjustment to mitigate majority-class overconfidence. Theoretical analyses establish convergence guarantees and motivate the proposed sensitivity and scaling mechanisms. Experiments on standard, multi-domain (Office-31, Digits), and long-tailed (SynDigits-LT, CIFAR-10-LT, CIFAR-100-LT) benchmarks show that EmaQ and EmaQ-LT achieve strong low-bit performance under domain shift and class imbalance.
Authors: Xuekang Wang, Zhuoyuan Hao, Shuo Hou, Hao Peng, Juanzi Li, Xiaozhi Wang
Abstract: Rubric-based reinforcement learning (RL) uses an LLM-as-a-Judge (LaaJ) to score model outputs according to rubrics as rewards. However, policy models may exploit latent biases in the judge, leading to reward hacking and ineffective or unsafe training outcomes. In real-world rubric-based RL, such hacking behaviors are often subtle and entangled with multiple judge biases, making them difficult to analyze, detect, and mitigate. In this paper, we introduce CHERRL, a controllable hacking environment for rubric-based RL. By injecting known biases into LaaJ, CHERRL enables stable reproduction of reward hacking, explicit observation of reward divergence, and precise identification of hacking onset. This provides a clean experimental testbed for studying the mechanisms and mitigations of reward hacking in rubric-based RL. To demonstrate its utility, we analyze different judge biases from the perspectives of discoverability and exploitability, and explore an agent-based system for automatically detecting reward hacking onset from training logs. The code and environment are publicly available at https://github.com/THUAIS-Lab/CHERRL.
Authors: Fr\'ed\'eric Berdoz, Luca A. Lanzend\"orfer, Kaan Bayraktar, Roger Wattenhofer
Abstract: Large Language Models (LLMs) are increasingly deployed across diverse applications, raising critical questions for governance, accountability, and data provenance. Understanding which training data most influenced a model's output remains a fundamental open problem. We address this challenge through training data attribution (TDA) for auto-regressive LLMs by expanding upon the inverse formulation: How would training data be affected if the model had seen the generated output during training? Our method perturbs the base model using bidirectional gradient optimization (gradient ascent and descent) on a generated text sample and measures the resulting change in loss across training samples. Our framework supports attribution at arbitrary data granularity, enabling both factual and stylistic attribution. We evaluate our method against baselines on pretrained models with known datasets, and show that it outperforms previous work on influence metrics, thereby enhancing model interpretability, an essential requirement for accountable AI systems.
Authors: Jack Sanderson, Yihan Wang, Xiaoqian Lu, Gautam Kamath, Yiwei Lu
Abstract: LLM post-training proceeds through multiple stages, e.g., supervised fine-tuning (SFT) followed by reinforcement learning from human feedback (RLHF) or direct preference optimization (DPO), where each stage draws data from different, potentially untrusted sources. Existing literature assumes data poisoning attacks may occur at each training stage, but neglects the possibility of multiple attackers. To study the trustworthiness of the entire post-training pipeline, we propose the threat model of sequential data poisoning, where multiple adversaries separately poison the SFT and preference datasets. Under this threat model, we identify the single-attacker illusion: each adversary, evaluated in isolation, appears to pose a negligible threat. Yet when adversaries collaborate across stages, the true vulnerability is revealed. In the SFT $\to$ DPO pipeline, their contributions are additive: splitting a fixed poison budget across stages outperforms concentrating it in either stage alone. In the SFT $\to$ PPO pipeline, their contributions are complementary: neither SFT nor reward model poisoning succeeds individually, yet their combination does. These findings show that security analyses of individual post-training stages systematically underestimate compound vulnerabilities that emerge only from their interaction. Code is available at https://github.com/jcksanderson/sequential-poisoning.
Authors: Naoki Chihara, Ren Fujiwara, Yasuko Matsubara, Yasushi Sakurai
Abstract: Real-time data analysis requires the ability to accurately and adaptively address nonlinear dynamics in a nonstationary data stream while preserving computational efficiency. However, nonlinear dynamics are so complex that capturing dynamically changing nonlinear patterns and utilizing them for downstream tasks under strict time constraints is nontrivial. To bridge the gap between nonlinear complexity and computational tractability, this study applies Koopman operator theory, which states that nonlinear dynamics can be represented as linear transitions in an infinite-dimensional space. Building upon finite-dimensional approximations of this operator, we present AdaKoop, an efficient streaming algorithm for modeling nonlinear dynamics over nonstationary data streams. Our approach utilizes a probabilistic framework grounded in Koopman operator theory, treating both raw observations and reproducing kernel Hilbert space (RKHS) features as emissions from latent vectors. This dual-view formulation allows nonlinear dynamics to be expressed as a tractable linear system. Therefore, AdaKoop enables the efficient and stable modeling of nonlinear dynamics in a streaming fashion, avoiding the prohibitive computational costs of iterative nonlinear optimization. Furthermore, to address nonstationarity in data streams, AdaKoop adaptively detects the switching of patterns via statistical hypothesis testing for abrupt pattern shifts and incrementally updates model parameters to handle continuous changes. Extensive experiments on a total of 71 practical benchmark datasets across various domains demonstrate that AdaKoop outperforms state-of-the-art methods in terms of real-time forecasting accuracy and computational efficiency.
Authors: Julius Durmann, Amelie Kleber
Abstract: Mean-based algorithms are a class of online learning algorithms that assign low probability to actions with low average rewards. Recent work indicates these algorithms converge favorably to serially undominated actions, which approximate Nash equilibria in economic games. However, empirical studies also show slower convergence compared to established algorithms in bandit-feedback scenarios. We study mean-based algorithms when the time horizon is unknown and only bandit feedback is available. In this setting, we provide the first lower bound on the algorithm-defining sequence $\gamma_t$ that formally establishes a limit on how fast these algorithms can learn. Additionally, we propose two mean-based algorithms: one generalizes $\epsilon$-greedy, and the other extends the mean-based Exp3 to unknown horizons. Our experiments show that mean-based algorithms, although slightly slower, can perform competitively with other bandit-feedback algorithms. We further analyze the relationship to no-regret algorithms. Depending on the choice of $\gamma_t$, the intersection with no-regret algorithms is non-trivial, and we show that algorithms exist that are both mean-based and no-regret. This adds context to the "exploitability" of this class of algorithms that previous contributions suggest.
Authors: Xin Yan, Aqiang Wang, Zhenglin Wan, Xingrui Yuand Ivor Tsang
Abstract: Diffusion large language models (DLLMs) have recently emerged as a promising alternative to autoregressive LLMs by generating text through iterative masked denoising with bidirectional context. However, their large model sizes and iterative denoising process introduce substantial memory and computational overhead, motivating post-training quantization for efficient deployment. In this paper, we identify two key challenges for low-bit DLLM quantization: state-dependent activation disparity and temporal error accumulation. Masked and unmasked tokens exhibit different activation distributions within each denoising step, while quantization errors can accumulate across steps during iterative decoding. To address these challenges, we propose STaR-Quant, a state-time consistent PTQ framework for DLLMs. STaR-Quant introduces State-Guided Activation Transformation (SGAT) to assign masked and unmasked tokens to different activation transformation spaces with a unified static weight-side transformation. It further introduces Temporal Attention Compensation (TAC) to correct the quantized attention representation via a lightweight block-diagonal affine mapping. Experiments on representative DLLMs demonstrate that STaR-Quant consistently improves low-bit weight-activation quantization over strong PTQ baselines, while delivering up to 1.69x speedup and 3.14x memory saving over FP16 deployment.
Authors: Anna Richter, Julia Stoyanovich, Sebastian Schelter
Abstract: Machine learning engineering (MLE) agents promise to automate end-to-end ML pipeline development from raw data and natural language instructions, potentially making ML accessible to non-technical domain experts. However, in sensitive and regulated domains, this abstraction creates a responsibility gap: end-users may lack visibility into design choices that affect correctness, robustness, fairness, and regulatory compliance. We argue that existing benchmarks are insufficient to assess whether MLE agents can be safely applied in such settings. We propose desiderata for a responsibility-centered evaluation framework and conduct an exploratory study on melanoma classification, focusing on fairness across skin tones as a responsibility constraint. When evaluating two recent MLE agents, we find that agent-generated pipelines show high variance and consistently underperform manually designed baselines in both predictive quality and fairness, despite fairness-oriented prompts. These preliminary results suggest that further research is needed towards redesigning MLE agents to allow humans to guide the search process and reliably assess the compliance and quality of the generated ML pipelines.
Authors: Wanqi Yang, Yuexiao Ma, Alexander Conzelmann, Xiawu Zheng, Michael W. Mahoney, T. Konstantin Rusch, Shiwei Liu
Abstract: Mixture-of-Experts (MoE) architectures scale model capacity through sparse expert activation, but their deployment remains memory-bound because all expert weights must reside in memory. Mixed-precision quantization can substantially reduce this footprint by assigning different bit-widths to different experts. Existing approaches, however, typically rely on calibration data to estimate expert importance and determine bit allocation. For frontier MoE LLMs, the original training data, and hence the true training distribution, is proprietary and inaccessible. As a result, calibration sets are inevitably imperfect surrogates, and this can misestimate expert utilization and lead to suboptimal bit allocation. Motivated by the substantial cross-expert quality variability observed in modern MoE models, and by the success of Heavy-Tailed Self-Regularization (HT-SR) theory at predicting neural network model quality without access to training or testing data, we propose AlphaQ, a calibration-free bit-allocation method for MoE quantization. AlphaQ draws on HT-SR theory and follows a simple principle: experts with more heavy-tailed weight spectra are typically better trained and hence should receive higher bit-widths, while experts with weaker heavy-tailed structure can be quantized more aggressively. AlphaQ operationalizes this principle by measuring expert-wise spectral heavy-tailedness and solving a budget-constrained optimization problem that minimizes total quantization error under a global bit-budget constraint. Across several MoE models, AlphaQ consistently outperforms calibration-based baselines under matched bit budgets. Notably, on Qwen1.5-MoE, AlphaQ achieves near full-precision accuracy with an average expert precision of only 3.5 bits, while delivering more than 4$\times$ memory compression. Our code is available at https://github.com/Superone77/AlphaQ.
Authors: Yiming Liao, Yiheng Li, Ning Jiang, Bo Li, Keke Chen
Abstract: Accurate computational prediction of T cell receptor (TCR) antigen specificity would transform the study of T cell biology and enable scalable immune engineering, yet existing models lack sufficient sensitivity and specificity for broad applications. A major limitation is the absence of rigorously defined, unseen benchmark datasets that allow unbiased evaluation of model performance and generalizability. Here, we describe two complementary classes of datasets that meet this criterion and argue that they provide both a robust framework for model assessment and a foundation for next-generation TCR-antigen prediction algorithm development.
Authors: Marc Walden, Jason Liu, Shaashwath Sivakumar, Ryan Liu, Hamza Khan
Abstract: We investigate multi-agent deep reinforcement learning and propose two enhancements to the Multi-Agent Deep Deterministic Policy Gradient (MADDPG) algorithm. First, we introduce a novel Action Inference mechanism that enables each agent to predict other agents' intended actions, thereby improving the accuracy and stability of its own policy. Second, we apply an importance sampling strategy, using geometric distribution, in the replay buffer to prioritize more recent and informative experiences, which helps mitigate the non-stationarity inherent in multi-agent environments. We evaluate both modifications on the discrete-action Predator-Prey task provided by the PettingZoo library, a flexible Python interface for general multi-agent reinforcement learning benchmarks. Our results indicate that Action Inference is effective in improving learning stability and inter-agent cooperation and that importance sampling using geometric distribution can lead to significant improvements in exploration efficiency over standard MADDPG. Code available at https://github.com/shaashwathsivakumar/MARL_Proj
Authors: Zehua Cheng, Wei Dai, Jiahao Sun
Abstract: Large language models (LLMs) suffer from shortcut learning: they systematically fail on out-of-distribution (OOD) inputs whose semantic surface differs from training data, even when the logical structure is identical. This undermines knowledge distillation pipelines that transfer chain-of-thought reasoning to smaller students. We introduce Invariant Gradient Alignment (IGA), a training framework that aligns gradient updates across semantically diverse but logically isomorphic examples via three innovations: (i) Logical Isomer Sets, groups of problems sharing identical logical structure across distinct semantic domains (mathematics, medicine, law, science); (ii) a differentiable \emph{Continuous Gradient Conflict Mask}, that suppresses parameter dimensions with high cross-domain gradient variance while preserving invariant directions; and (iii) a truncated SVD projection of the masked gradient back onto the LoRA low-rank manifold, maintaining parameter efficiency throughout. Theoretically, IGA yields tighter OOD generalization bounds than ERM, scaling with the number of isomer domains, and converges at the standard SGD rate under mild regularity. Empirically, IGA outperforms eight baselines across four benchmarks with accuracy gains up to 14.3 pp over ERM-SFT and a Logical Consistency Score of 0.031 versus 0.142 -- a fourfold improvement in representational invariance.
Authors: Gunnar K\"onig, Martin Pawelczyk, Ulrike von Luxburg, Sebastian Bordt
Abstract: Controlled experiments are the backbone of machine learning research, but at the scale of modern foundation models, they have become prohibitively expensive. Instead, the community increasingly relies on research strategies that approximate the ideal experiment at a fraction of the cost: proxy experiments and scaling laws, observational studies with publicly available models, and single-run designs that leverage variation within individual training runs. In this work, we argue that there is no free lunch when approximating large-scale experiments on a compute budget. Specifically, savings in compute come at the cost of validity threats -- hidden and sometimes untestable assumptions that, when violated, can invalidate research claims. To help navigate such threats, we propose an evaluation framework that casts foundation model research as a causal inference problem. Within this framework, we evaluate different research strategies through four types of validity adapted from the empirical social sciences -- statistical, internal, external, and construct validity. We find that each strategy comes with a characteristic validity profile: proxy experiments trade external and construct validity for statistical and internal validity; observational studies face confounding and effect heterogeneity; and single-run designs are strained by interference between treated units. This analysis reveals several validity threats that have received insufficient attention in the literature. Overall, our evaluation framework provides researchers with a practical toolkit for scrutinizing validity threats in foundation model research~designs.
Authors: Zehua Cheng, Wei Dai, Jiahao Sun
Abstract: Marginal inference in discrete graphical models forces a choice between exactness and scalability: exact algorithms are intractable for high-treewidth graphs, while iterative approximations (Belief Propagation, variational methods) sacrifice convergence guarantees on frustrated topologies. We argue that this dichotomy stems from a mismatched inductive bias: iterative methods abandon the sequential elimination structure that makes exact inference correct. We introduce In-Context Graphical Inference (ICG-I), an autoregressive Graph Transformer that restores this structure by mimicking Variable Elimination with learned, Tensor- Train-compressed intermediate factors, paired with a Dirichlet output layer and Weighted Conformal Prediction for calibrated, distribution-free coverage guarantees under topological shift. We prove that TT compression errors propagate at most lincarly through the autoregressive chain, that the Dirichlet-Multinomial loss is a proper scoring rule, and that WCP maintains coverage with a quantifiable degradation under estimated density ratios. We conducted intensive experiments to evaluate ICG-I and achieved state-of-the-art performance across all benchmarks. ICG-I reduces MAE from 0.041 (best baseline) to 0.020 on standard instances and achieves 0.048 on N=500 frustrated spin glasses where BP diverges entirely.
Authors: Meher Chaitanya, My Le, Luana Ruiz
Abstract: We introduce Graph Cascades, a mesoscopic rewiring strategy for Graph Neural Networks (GNNs) and Graph Transformers (GTs) that captures intermediate-scale graph structure beyond purely local edges or fully global attention. Using contagion-based diffusion processes, Graph Cascades constructs, in O(|V|+|E|) time, an auxiliary graph where node pairs supported by repeated multi-hop reinforcement are promoted to direct neighbors. We theoretically characterize when reinforcement-based rewiring helps: sufficient conditions under which reinforcement-based edge selection is more label-aligned than direct adjacency, an SBM witness in which two-hop reinforcement is perfectly homophilic, and a formalization of mesoscopic connectivity via graph effective resistance. Empirically, across node-classification benchmarks, Graph Cascades improves multiple GNN and sparse-GT backbones, with the most reliable gains observed on heterophilic and moderate- to high-degree homophilic graphs. The theoretical conditions also identify regimes where mesoscopic rewiring is unlikely to be beneficial -- low-degree regular graphs and graphs with structural bottlenecks -- and these predictions match the observed failures. We additionally observe tight correlations between performance and structural properties in the rewired graphs.
Authors: Samuel Cognolato, Alessandro Sperduti, Luciano Serafini
Abstract: The Deep Graph Generation's panorama spans two extremes: one-shot and sequential models. The former generates nodes and edges jointly, while the latter samples them autoregressively. Each method performs better in different graph domains depending on size and topology, but neither is applicable to all graph categories. For instance, one-shot methods struggle with generating large graphs, while sequential methods underperform on smaller graphs. A possible way to overcome these limitations is to flexibly combine the two methods in a unique system. In this work, we propose the FLAGG (Flexible Autoregressive Graph Generation) framework, which sequentially generates portions of graphs with one-shot models. FLAGG can apply any one-shot model to make it autoregressive, allowing flexibility in choosing the sequential policy. This policy is specified through a stochastic node removal process, which an Insertion Model learns to reverse. We evaluate FLAGG with the DiGress one-shot model on several data sets of different graph sizes and domains. We show that the approach outperforms both one-shot and autoregressive baselines in terms of sampling quality.
Authors: Cl\'ement Elliker, Mathis Le Bail, Cl\'ement Mantoux, Jesse Read, Sonia Vanier
Abstract: Train delay prediction is an important problem for both passengers and railway operators, yet progress in the field remains difficult to assess due to the lack of standardized datasets, prediction targets, and evaluation protocols. To address this gap, we introduce RIDE, an open dataset and benchmark for train delay prediction built at nationwide scale over the Belgian railway network. RIDE covers 94.5M train events, 3.6M journeys, and 35.7M weather records from 2023 to 2025. It is organized as a layered data pipeline from raw railway and weather sources to two public releases: a reusable intermediate relational dataset and model-ready benchmark datasets. The benchmark standardizes the prediction task and the training and testing data. It also provides a unified evaluation protocol that supports direct comparison across models. Using this framework, we provide the first comprehensive comparative evaluation of non-learning, statistical learning, and deep learning models. We show that learning-based methods clearly outperform non-learning models, with graph neural networks achieving the best mean performance, while the strongest learning-based models remain relatively close to one another. Beyond aggregate mean absolute error (MAE) and root mean squared error (RMSE), the framework also provides breakdowns by prediction horizon and delay change, enabling more detailed analysis of model behavior across forecasting regimes.
Authors: Lixing Zhang, Yidong Ouyang, Weifu Li, Shixiang Zhu, Guang Cheng, Liyan Xie
Abstract: Missing value imputation is a fundamental task in machine learning, with most existing methods assuming that all missing entries correspond to unobserved regular values. In many real-world datasets, however, missingness may arise from two distinct sources: some entries are meaningfully missing (intrinsically absent and semantically valid), while others are missing due to the observation process and should be imputed. We formalize this distinction as a selective imputation problem, where the goal is to jointly infer which missing entries should be preserved and which should be recovered. To address this challenge, we propose Diff-Joint, a diffusion-based framework that jointly models tabular data together with a latent missingness mask. The method alternates between conditional sampling and uncertainty-aware aggregation to iteratively refine both imputed values and missingness labels. Empirical results on synthetic and real-world datasets demonstrate that Diff-Joint effectively identifies meaningfully missing entries while achieving competitive imputation accuracy and improved downstream task performance.
Authors: Karan Gandhi, Ashish A. Mahabal, Jacob E. Jencson, Russ R. Laher, Ben Rusholme, Lin Yan, Ryan M. Lau, Schuyler D. Van Dyk, Mansi M. Kasliwal
Abstract: The Nancy Grace Roman Space Telescope (Roman), set for launch as early as September 2026, will conduct wide-field infrared imaging surveys with unprecedented spatial resolution and cadence, enabling the discovery of millions of astronomical transients. Hence, it is necessary to have automated pipelines for generating alerts in place so that the telescope can begin discovering reliable transients and variable objects soon after it is launched. However, no real Roman data currently exist, making the development of such pipelines difficult. In this work, we present a machine learning model $RuBR$ and a general methodology for distinguishing genuine transient and variable detections from spurious (bogus) detections within the RAPID pipeline. In particular, we present three models using this methodology: $RuBR_{comb}$ trained and tested on combined locally injected and OpenUniverse2024 transients, $RuBR_{loc}$ trained on locally injected transients and tested on OpenUniverse2024 transients, and $RuBR_{DA}$ that combines locally injected transients with a fraction of OpenUniverse2024 transients in domain-adaptation mode for training. This paves the way for strategies to adapt the $RuBR_{comb}$ model to real observations in the absence of any ground-truth labels during the early phases of the Roman mission. While the image differencing pipeline continues to be improved, our experimental results demonstrate the effectiveness of the proposed approach and its promise for robust real-bogus classification in the Roman era.
Authors: Vasiliki Rizou, Pascal Frossard, Dorina Thanou
Abstract: To leverage the full potential of multimodal data, we need representations that go beyond the state-of-the-art alignment and fusion approaches and exploit all cross-modal interactions without sacrificing modality-specific information. Learning disentangled representations is a principled way to identify these underlying shared and unique factors that are hidden in observational data. However, while multimodal disentanglement is a compelling paradigm, existing methods are largely confined to the two-modality regime due to its inherent scalability bottleneck. To address this, we propose RePercENT, a self-supervised framework designed to surpass these limitations and unlocks scalable pairwise disentanglement beyond two modalities. Through a multimodal `plug-and-play' architecture, our approach operates directly on pre-extracted embeddings, eliminating the need for extensive joint pre-training while making no assumptions regarding the underlying modalities or foundation model backbones. Moreover, we introduce a joint optimization objective for simultaneously deriving the shared and unique components, and provide formal theoretical guarantees that characterize the optimality of our solution. Across diverse modalities and tasks, RePercENT successfully recovers disentangled components while maintaining competitive performance and significantly reducing computational complexity.
Authors: Jose E. Escrig Molina, Baoquan Chen, Daniel Probst
Abstract: We introduce the Graph Set Transformer (GST), a neural network architecture for learning on sets of graphs, designed for tasks in which per-element predictions depend on set-wide context as well as local structure. Existing architectures, including DeepSets and SetTransformer, require pre-encoded graph embeddings from a separate GNN, creating a bottleneck between feature extraction and set-level contextualisation. In contrast, GST interleaves node-level feature propagation and cross-graph contextual modelling at every layer, fusing the two levels of information through a gating mechanism. We evaluate GST on a controlled synthetic suite designed to isolate set-conditional structural reasoning and on three real-data benchmarks spanning per-atom reaction-centre identification, reaction yield prediction, and image classification. Under matched parameter budgets, GST performs better than the baselines across these settings. An architectural ablation strongly suggests that the interleaving of local and set context contributes substantially to this advantage.
Authors: Linyao Chen, Qinlao Zhao, Zechen Li, Mingming Li, Likun Ni, Jinyu Chen, Yuhao Yao, Xuan Song, Noboru Koshizuka, Hiroki Kobayashi
Abstract: Individual-level mobility prediction is central to urban simulation, transportation planning, and policy analysis. Supervised sequence models achieve strong accuracy but require task-specific training and offer limited decision-level transparency. Recent LLM-based methods improve interpretability, yet mostly rely on static prompts and single-pass inference, limiting their ability to seek additional evidence when mobility signals are weak or conflicting. We propose \method{}, a training-free LLM-driven agent framework that formulates next-location prediction as adaptive evidence-controlled decision making. \method{} resolves routine cases through a fast path based on historical regularity, while ambiguous cases trigger iterative tool use over recent trajectories, historical behavior, stay-move likelihood, and geographical evidence. Across three mobility datasets, AgentMob achieves the strongest overall performance among training-free LLM-based methods, with GPT-5.4 reaching 71.42\% Acc@1 on BW, 33.14\% on YJMob100K, and 33.50\% on Shanghai ISP. On BW non-fast-path cases, the LLM controller improves Acc@1 from 30.65\% to 48.62\% over a same-tool statistical baseline, showing that its main benefit lies in resolving ambiguous predictions through adaptive evidence gathering. Our code is available at https://github.com/Unknown-zoo/AgentMob.
Authors: Kelan Gray, Finlay Brown, Nicolas Boull\'e, Matthew J. Colbrook
Abstract: Koopman theory turns nonlinear dynamics into a linear spectral problem. In computation, however, everything depends on a hard finite-dimensional choice: the observables must be expressive, nearly invariant under the dynamics, and, ideally, compatible with composition. Deep Koopman methods learn flexible coordinates, whereas structure-preserving methods enforce operator identities on fixed dictionaries. We combine these ideas by introducing Deep Embedded Multiplicative Dynamic Mode Decomposition (DeepMDMD), a method that learns a latent space and a partition of it, while enforcing the Koopman product rule as an exact algebraic constraint. Training alternates between an exact multiplicative operator update and a differentiable latent-clustering step that promotes Koopman closure. The result is a finite transition map on learned latent cells. Its nonzero spectrum lies on the unit circle, its dictionary is shaped by the dynamics rather than by ambient geometry, and forecasts are made in latent coordinates before being decoded to physical space. Across Hamiltonian, chaotic, and fluid examples, DeepMDMD learns dictionaries that are far more compact and dynamically coherent than those produced by geometric MDMD partitions. It reduces spectral pollution, reveals richer continuous-spectrum structure, and gives stable forecasts under severe noise. In high-dimensional flows, including a 158,624-dimensional cylinder wake and a noisy $Re=20,000$ lid-driven cavity, it preserves coherent structures and long-time spectral statistics where state-space MDMD fails. These results suggest a practical rule for Koopman learning: learn the coordinates, constrain the algebra.
Authors: Konrad J. Mueller, Nikita Zozoulenko, Ben Wood, Thomas Cass, Lukas Gonon
Abstract: Generating realistic financial time series is challenging as training data is often limited to a single historical path. With such scarce data, overfitting is hard to avoid, especially under adversarial training where a trained discriminator can memorize the training samples. To mitigate this, recent approaches train generators to minimize the discrepancy between untrained feature representations of real and generated time series. In these works, the feature maps are based on path signatures, which can fail to capture relevant time series properties at tractable truncation depths. In this work, we instead train generators by matching random convolutional features of real and generated time series. Existing random convolutional feature maps, such as Rocket and Hydra, have been shown to provide informative representations of real-world time series, but cannot supervise generative models because they are non-differentiable. We introduce SOCK (SOft Competing Kernels), a fully differentiable random convolutional feature map, suited to train generative time series models. We show that generators trained by matching random SOCK features consistently outperform signature and diffusion baselines across a wide range of small-sample financial datasets. We further demonstrate SOCK's expressiveness on two-sample hypothesis testing and time series classification tasks, where SOCK matches or outperforms existing unsupervised feature maps.
Authors: Luca Thale-Bombien, Jan Ewald, Ralf K\"onig, Aaron Klein
Abstract: The rapid advancement of high-throughput sequencing has led to large, high-dimensional omics datasets. Deep unsupervised learning architectures, particularly Autoencoders (AEs), are increasingly used for dimensionality reduction and representation learning in this domain. However, AEs are highly sensitive to architectural choices and hyperparameters, and unsupervised optimization typically relies on reconstruction loss, which may be a poor proxy for downstream utility. Exhaustive hyperparameter optimization (HPO) is computationally expensive, leading researchers to frequently rely on suboptimal default configurations. To democratize access to large-scale unsupervised HPO research, we introduce $\textbf{BBOmix}$, the first open-source tabular benchmark for unsupervised representation learning on real-world biological data. Our benchmark includes 105,000 evaluations across four AE architectures and seven multi-omics modalities from the TCGA and SCHC datasets. We quantify the correlation between reconstruction loss and downstream task performance and provide an extensive evaluation of state-of-the-art single-fidelity, multi-fidelity, and transfer learning HPO methods, establishing a rigorous baseline for future research in unsupervised biological representation learning.
Authors: Nizar Islah, Istabrak Abbes, Irina Rish, Sarath Chandar, Eilif B. Muller
Abstract: When post-trained language models fail on reasoning problems, the common test-time-scaling response is to spend more compute on additional attempts, and the failed traces play no further role. We argue this discards a crucial signal; some failures come from unlucky sampling, where more rollouts help, while others are structural and resist resampling regardless of budget. We propose that failed traces encode recoverability structure: the inference-time signature of which test-time interventions can rescue a given failure. Three problem-level trajectory features, derived from the structure of available interventions, recover this structure from the distributional signature of failed rollouts, not their text. They cluster failures into stable regimes, characterize the failure topography of different post-training methods ($84.3{\pm}4.3\%$ accuracy, $+20\%$ over a majority-class baseline), and support a training-free routing rule that lifts rescue by $+12.2\%$ on the deployment-relevant Steerable-Hard subset (failures where retry is insufficient and a bounded intervention is reachable). The features and the routing rule transfer across two cross-family probes. The same three features thus convert failed traces from discarded data into a diagnostic object, supporting test-time routing and post-training analysis without training-time or weight-space access.
Authors: Rishabh Agrawal, Jacob Fein-Ashley, Paria Rashidinejad
Abstract: Reasoning models have advanced rapidly, but the dominant reinforcement learning from verifiable rewards (RLVR) recipe remains surprisingly narrow: sample many responses and reward each with a single bit indicating whether the final answer is correct. Yet many settings provide rich feedback, including execution traces, tool outputs, expert corrections, and model self-evaluations. We study how to use such feedback through a distributional variant of the classic imitation learning algorithm DAgger, where the learner has local access to an expert distribution on states visited by the current policy. This yields a simple forward cross-entropy objective that admits a blackbox expert and whose sequence-level gradient {conduct rich credit assignment by propagating} future expert-student disagreement back to earlier decisions. We show that prior RL with self-distillation objectives based on reverse KL or Jensen-Shannon fail to guarantee monotonic policy improvement: even when the expert has higher reward, their updates may increase probability on worse actions. In contrast, we show that forward cross-entropy admits monotonic policy improvement and enjoys guarantees on regret. We further show that our objective optimizes a lower bound on teacher-weighted likelihood of success, leading to improved Pass@N. Empirically, our approach, DistIL, improves over RLVR and RL with self-distillation baselines across a variety of domains: scientific reasoning, coding, and solving hard mathematical problems.
Authors: Rishit Dagli, Abir Harrasse, Luke Zhang, Florent Draye, Amirali Abdullah, Bernhard Sch\"olkopf, Zhijing Jin
Abstract: Training Data Attribution (TDA) seeks to trace a model's predictions back to its training data. The gold standard for TDA relies on causal interventions, observing how a model changes when data is added or removed, but repeated retraining is computationally challenging for Large Language Models (LLMs). Consequently, most approaches approximate this effect in the parameter space using gradients. However, tracking gradients across billions of parameters is not only prohibitively expensive but relies on local approximations. In this work, we propose a shift: rather than estimating parameter changes, we model the functional effect of training data in the activation space. We introduce STRIDE (Steering-based Training Data Influence Decomposition), a framework that formulates TDA as a sparse recovery problem in the spirit of compressive sensing. STRIDE learns lightweight "steering operators" that mimic the behavioral shift caused by training on data subsets. By measuring how these operators perturb test predictions, we recover individual training example influences via sparse linear decomposition. STRIDE achieves state-of-the-art for LLM pre-training attribution while being an order of magnitude ($13\times$) faster than previous art. We further validate its practical utility through downstream applications including data selection, data contamination, and qualitative analysis.
Authors: Rubens Lacerda Queiroz, F\'abio Ferrentini Sampaio, Cabral Lima, Priscila Machado Vieira Lima
Abstract: Artificial Intelligence (AI) has been adopted in a wide range of domains. This shows the imperative need to develop means to endow common people with a minimum understanding of what AI means. Combining visual programming and WiSARD weightless artificial neural networks, this article presents a new methodology, AI from concrete to abstract (AIcon2abs), to enable general people (including children) to achieve this goal. The main strategy adopted by is to promote a demystification of artificial intelligence via practical activities related to the development of learning machines, as well as through the observation of their learning process. Thus, it is possible to provide subjects with skills that contributes to making them insightful actors in debates and decisions involving the adoption of artificial intelligence mechanisms. Currently, existing approaches to the teaching of basic AI concepts through programming treat machine intelligence as an external element/module. After being trained, that external module is coupled to the main application being developed by the learners. In the methodology herein presented, both training and classification tasks are blocks that compose the main program, just as the other programming constructs. As a beneficial side effect of AIcon2abs, the difference between a program capable of learning from data and a conventional computer program becomes more evident. In addition, the simplicity of the WiSARD weightless artificial neural network model enables easy visualization and understanding of training and classification tasks internal realization.
Authors: Rubens Lacerda Queiroz, Cabral Lima, Fabio Ferrentini Sampaio, Priscila Machado Vieira Lima
Abstract: This study expands on previous work that introduced the AIcon2abs method (AI from Concrete to Abstract: Demystifying Artificial Intelligence to the general public), an innovative approach designed to increase public understanding of machine learning (ML) across diverse age groups, including K-12 students, and aims to evaluate its effectiveness. AIcon2Abs employs the WiSARD algorithm, a weightless neural network known for its simplicity, and user accessibility. WiSARD does not require Internet, making it ideal for non-technical users and resource-limited environments. This method enables participants to intuitively visualize and interact with ML processes through engaging, hands-on activities, as if they were the algorithms themselves. The method allows users to intuitively visualize and understand the internal processes of training and classification through practical activities. Once WiSARDs functionality does not require an Internet connection, it can learn effectively from a minimal dataset, even from a single example. This feature enables users to observe how the machine improves its accuracy incrementally as it receives more data. Moreover, WiSARD generates mental images representing what it has learned, highlighting essential features of the classified data. AIcon2abs was tested through a six-hour remote course with 34 Brazilian participants, including 5 children, 5 adolescents, and 24 adults. Data analysis was conducted from two perspectives: a mixed-method pre-experiment (including hypothesis testing), and a qualitative phenomenological analysis. Nearly all participants rated AIcon2abs positively, with the results demonstrating a high degree of satisfaction in achieving the intended outcomes. This research was approved by the CEP-HUCFF-UFRJ Research Ethics Committee.
Authors: Giries Abu Ayoub, Morad Tukan, Loay Mualem
Abstract: Few-shot classification (FSC) is widely used for learning from limited labeled data, yet most evaluations implicitly assume that target concepts are independent of contextual cues. In real-world settings, however, examples often appear within rich contexts, allowing models to exploit spurious correlations between foreground content and background signals. While such effects have been studied in few-shot image classification, their role in few-shot audio classification remains largely unexplored, and existing audio benchmarks offer limited control over contextual structure. We introduce SpurAudio, a benchmark that leverages the natural separability of foreground events and background environments in audio to enable controlled, multi-level evaluation of contextual shifts across support and query sets. Using this benchmark, we show that many state-of-the-art few-shot methods suffer severe performance degradation when background correlations are disrupted, despite achieving similar accuracy under standard evaluation protocols. Crucially, this vulnerability persists even in large pretrained audio foundation models, ruling out limited backbone capacity as an explanation. Moreover, methods that appear comparable under conventional benchmarks can exhibit markedly different sensitivity to spurious correlations, revealing systematic algorithmic strengths and vulnerabilities tied to how feature representations interact with classifier heads at inference time. These findings provide new insight into the behavior of few-shot methods in audio and highlight the need for benchmarks that explicitly probe context dependence when evaluating FSC models.
Authors: Mutian Tong, Han Jiang, Qiao Feng, Lingjie Liu, Jiatao Gu
Abstract: Video-Action Models (VAMs) leverage the broad visual dynamics captured by pre-trained video diffusion models, offering a promising path toward generalizable robot manipulation. However, RGB-only video rollouts are not directly actionable: they leave metric 3D motion, contact geometry, and fine-grained spatial constraints under-specified, making action grounding ambiguous. Meanwhile, scaling action supervision across diverse tasks and embodiments remains costly. We present PointAction, a framework that bridges video predictions to robot actions through explicit point-based 4D modeling. PointAction fine-tunes a foundation video generation model to jointly predict future RGB frames and dynamic 3D pointmaps, producing temporally consistent 3D motion of task-relevant scene geometry. These point dynamics serve as a structured, embodiment-agnostic action interface, which a diffusion-based action decoder maps to executable robot actions. By using metric 3D point dynamics as the interface between video prediction and control, PointAction reduces the ambiguity of RGB-only action grounding and supports transfer across tasks and embodiments with limited action supervision. Experiments show that PointAction achieves state-of-the-art 4D generation quality on robot scenes, outperforms existing baselines in simulation, and generalizes to two real robot arms unseen during pretraining.
Authors: Pouria Behnoudfar, Deekshith Naidu Ponnana, Noah J. Schmelzer, Janith Wanni, George T. Gray III, Dan J. Thoma, Curt A. Bronkhorst, Nan Chen, Wenxiao Pan
Abstract: We present a probabilistic modeling framework for incorporating small-scale spatial heterogeneity into macroscopic descriptions of material behavior for polycrystalline metallic materials. Spatially heterogeneous material state fields are represented using probability density functions (PDFs), providing a principled statistical description of microstructural variability and state evolution across different computational polycrystalline realizations. The framework is built on the inverse identification of a probabilistic transport model, formulated as a Liouville equation with an unknown drift term. To enable accurate, stable, and interpretable inference of this drift field in high-dimensional, transport-dominated settings, we develop a Separable Probability Learning Technique via Physics-Informed Neural Networks (SPLIT-PINN). This method incorporates a marginal-correction drift decomposition, orthogonality constraints, and residual-based adaptive training to enhance well-posedness, numerical stability, and physical consistency without imposing restrictive parametric assumptions. Using SPLIT-PINN, the drift field governing the temporal evolution of joint state PDFs is inferred directly from data. After benchmark validation, the framework is applied to physical computational datasets describing the evolution of polycrystalline microstructural states, including von Mises stress, dislocation density, and equivalent plastic strain rate. The learned Liouville model, trained on a single dataset, is subsequently used in forward predictions of the temporal evolution of joint and marginal PDFs for multiple unseen polycrystal realizations. Quantitative comparisons with reference PDFs demonstrate that the proposed framework yields accurate and robust probabilistic predictions and generalizes effectively across datasets.
Authors: Wei-Cheng Lai, Marco Simnacher, Christoph Lippert
Abstract: Two-sample testing is a fundamental tool for detecting distributional differences across scientific domains, but classical tests (including kernel-based tests) can be ineffective on high-dimensional structured data such as images. Recent deep two-sample tests improve sensitivity in these settings by learning informative representations, yet they provide limited insight into which data features drive rejection of the null hypothesis $H_0$. To address this issue, we propose a counterfactual explanation framework for deep two-sample testing that generates sample-level edits moving observations from a source group toward a target group while explicitly reducing the discrepancy measured by the test. Our method combines a diffusion autoencoder with a pretrained deep two-sample test model and optimizes a maximum mean discrepancy (MMD) objective in the test model's representation space to produce plausible counterfactuals. We quantify distribution-level effects through changes in the test statistic and the resulting two-sample p-values. We evaluate the method on synthetic 2D shape datasets and two MRI cohorts. Across both settings, the counterfactual transformations consistently increase p-values relative to the original samples, indicating that the edited source set becomes statistically closer to the target distribution under the test. We measure minimality using LPIPS to ensure the counterfactuals remain close to the original samples. The resulting edits provide interpretable evidence of the features associated with the detected group differences. On MRI, the localized changes are consistent with known anatomical differences between cohorts.
Authors: Bryan Cheng, Austin Jin, Joshua Chang
Abstract: Splice-mediated drug resistance occurs in up to 40% of patients on targeted kinase inhibitors, yet state-of-the-art druggability tools operate on single structures and cannot compare across isoforms. We introduce SpliceBind, a graph neural network framework for isoform-aware druggability prediction. Beyond improving prediction accuracy (AUROC 0.703 vs. P2Rank 0.634, p = 0.026), we address a more fundamental question: when do structural methods succeed, and when must they fail? Systematic analysis of six clinically validated variants spanning five mechanism classes reveals a two-tier resistance taxonomy. Domain deletions (AR-V7, Delta = -18.39) and pocket disruptions produce structurally detectable changes, while allosteric mechanisms (BRAF-p61) remain fundamentally invisible to any pocket-centric approach -- a boundary no algorithmic improvement can cross. Notably, learned embeddings capture affinity-based resistance missed by geometry alone (ALK-L1196M: Delta_SB = -0.228 vs. Delta_P2Rank = -0.95), partially bridging the structural-biochemical gap. On 229 kinase pockets spanning 25 families, SpliceBind achieves AUROC 0.703 (p = 0.026 vs. P2Rank) with robust generalization to held-out families (AUROC 0.761). This taxonomy transforms clinical workflows: upon discovering a splice variant, clinicians can immediately determine whether computational triage suffices or biochemical validation is required -- reducing time from variant discovery to therapeutic decision.
Authors: Bryan Cheng, Austin Jin
Abstract: Proteolysis-targeting chimeras (PROTACs) can selectively degrade disease-causing proteins, yet predicting which targets are amenable to degradation remains a critical bottleneck: existing computational methods require the complete PROTAC molecular structure, information unavailable before synthesis. We present DegradoMap, a graph neural network that predicts PROTAC-mediated degradability from protein structure and E3 ligase identity alone -- the minimal information available at the target selection stage. The model encodes biophysical priors through lysine-weighted graph pooling with per-protein normalization, models protein-E3 compatibility via cross-attention, and integrates cellular context from the Cancer Dependency Map. On the PROTAC-8K benchmark (3,101 samples, 155 targets, 10 E3 ligases), DegradoMap achieves 0.646+-0.124 AUROC on target-unseen evaluation (best seed: 0.7449) and 0.811 AUROC on CRBN->VHL E3-unseen transfer, outperforming GNN and machine learning baselines. The model additionally recommends optimal E3 ligases with 74% Hit@3 accuracy. Two findings carry broader implications: E(3)-equivariant architectures underperform the simpler invariant design for this scalar prediction task, and ESM-2 embeddings improve peak performance only with careful regularization -- naive integration fails. DegradoMap provides pre-synthesis computational guidance for degradability assessment; its well-calibrated confidence scores (ECE = 0.029, target-unseen) enable practitioners to prioritize high-confidence predictions for experimental follow-up. However, the high seed variance (std = 0.124) and limited E3 coverage require ensembling for reliable deployment.
Authors: Zacharie Bugaud
Abstract: We present a systematic study of domain-dependent safety behavior in open-weight LLMs: 7 standardized experiments across 7 ethical domains, testing 5 models (12B--70B) in 4,200 interactions with dual-judge validation. Using a dual-condition methodology, each scenario tested in both an analytical framing (identify the harm) and an operational framing (help commit the harm), we find compliance rates vary from 14.7% (human trafficking) to 85.7% (surveillance design), a 71-percentage-point span with non-overlapping cluster-bootstrapped 95% CIs. Trustworthy deployment requires predictable safety behavior, yet we find compliance is highly context-dependent: the same model (Mistral Nemo 12B) provides surveillance designs in 100% of requests but assists with trafficking in only 26.7%. This unpredictability is opaque to deployers: the technical framing bypass, where harmful requests reframed as engineering problems override safety training without any external signal that refusal thresholds have shifted. Within-domain heterogeneity reaches 84.4pp, meaning safety behavior cannot be predicted even at the domain level. A replication on five frontier closed models (GPT-4.1/5.2, Claude Haiku/Sonnet/Opus 4.x; n=4,163 responses) accessed via the GitHub Copilot CLI deployed-product surface reproduces the same domain stratification, attenuated in absolute level but identical in shape, with the two low-codification domains (science fraud, surveillance) again the most permissive. These results show that current safety mechanisms lack the transparency and consistency required for trustworthy AI deployment.
Authors: Thanh Luong Tuan, Abhijit Sanyal
Abstract: Pre-deployment verification of enterprise artificial intelligence (AI) agents remains a critical gap between large language model (LLM) capability benchmarking and production deployment. Post-deployment monitoring, human-in-the-loop controls, and prompt-level guardrails offer limited assurance once an agent is operating in production. We present an ontology-grounded verification framework -- to our knowledge the first to combine three components: an Agent Operational Envelope formalizing the certification space across permissions, domain constraints, safety properties, governance rules, and autonomy levels; an ontology-to-scenario generation pipeline that derives regulatory, operational, and adversarial test scenarios automatically; and a machine-verifiable Trust Certificate with graduated deployment verdicts. A controlled pilot across four regulated industries (Fintech, Banking, Insurance, Healthcare), instantiated as five industry-by-regulatory-regime cells across the United States and Vietnam (where Vietnam's 2025 AI Law makes such verification legally mandated for financial services), generated 1,800 scenarios evaluated against 125 primary-source regulatory requirements and 25 injected faults. Ontology-grounded generation significantly outperformed the dominant persona-based baseline on regulatory coverage (48.3% versus 33.1%; corrected p_c = .0006) and attained the highest domain specificity (4.77/5.0; p = 2e-6); transparently, its advantage over plain and retrieval-augmented prompting did not survive Bonferroni correction. Cross-validation across three LLM families (Claude Sonnet 4, Qwen 2.5 72B, Gemma 4 26B; 5,400 total scenarios) replicated the persona-versus-ontology pattern. The framework offers a reproducible, regulation-grounded route to pre-deployment assurance for enterprise AI agents, complementing runtime governance with an auditable deployment gate.
Authors: Dat Thanh Tran, Van Khu Vu, Yining Ma
Abstract: Neural-guided Ant Colony Optimization (ACO) suffers from a fundamental training-inference misalignment: policies are typically trained to generate static priors (e.g., heatmaps), yet deployed to guide iterative, long-horizon search processes. In this paper, we present DyNACO, a novel framework that achieves dynamic neural guidance by periodically observing the pheromone distribution and the incumbent solution. To make DyNACO tractable at scale, we pair the policy with a perturbation-based ACO backend and a scope-restricted refinement mechanism that jointly ensure efficacy and stable credit assignment. On TSP, DyNACO scales to 100,000-node instances and outperforms neural baselines while often reducing total runtime compared to the unguided solver. We extend DyNACO to CVRP via a capacity-aware backend, consistently improving the unguided baseline with less than 1% neural overhead. We further provide in-depth analysis validating the model's generalization capabilities and elucidating why dynamic guidance outperforms static priors. Our work underscores the necessity of aligning neural training with iterative search dynamics in learning-guided optimization. The code is available at https://github.com/shoraaa/DyNACO.
Authors: Boyuan Xiao, Bohong Chen, Yumeng Li, Ji Feng, Yao-Xiang Ding, Kun Zhou
Abstract: In embodied vision-language decision making tasks such as robotic manipulation and navigation, Vision-Language and Vision-Language-Action Models (VLMs & VLAs) are powerful tools with different benefits: VLMs are better at long-term planning, while VLAs are better at reactive control. However, their performance is limited by the same perceptual bottleneck: visual hallucinations arise due to the models' inability to distinguish task-relevant objects from distractors. In principle, accurate identification and focus on critical objects while filtering out irrelevant ones is the key to break this limitation. A straightforward solution is one-step focus: directly attending to essential objects. However, this approach proves ineffective because effective focus inherently requires deep scene understanding. To this end, we propose SceneDiver, a coarse-to-fine focus plan generation method for VLMs leveraging their long-term planning abilities, that first constructs a holistic scene graph to establish initial comprehension, then progressively decomposes the task into simpler sub-problems through an iterative cycle of recognition, understanding, and analysis. To enable reactive control, we also design a lightweight adapter for distilling the deliberate focus ability into VLAs. Evaluations on standard embodied AI benchmarks confirm that our method substantially reduces visual hallucinations for both VLMs and VLAs, while preserving computational efficiency in tasks requiring fast execution. Our code and data are released at: https://future-item.github.io/SceneDiver.
Authors: Akanksha Narula, Mofasshara Binte Rafique, Laurent Bindschaedler
Abstract: Large language models (LLMs) now generate substantial production code, often for tasks with multiple valid algorithmic solutions. Incidental prompt cues, meaning contextual words or metadata outside the task specification, can steer which algorithm the model selects, even when all outputs pass the same tests. Prompt sensitivity is well studied as a tool to improve output quality. Here, output policy means algorithm choice under fixed correctness. We define algorithm steering as cue-induced shifts in algorithm-family distributions and run 46,535 controlled experiments across 11 tasks, 19 cue types (18 channels plus a memoization semantic-vs-surface ablation that preserves meaning while changing typography and punctuation), and 15 model configurations. We find large, systematic shifts in algorithm-family distributions (up to 100 pp), largely consistent with cue semantics, including in applied tasks such as rate limiting. Direct algorithm naming is the most reliable mitigation we tested. Accidental context therefore creates an "invisible lottery" over performance, security, and maintainability.
Authors: Yanjin Xiang, Zhihua Zhang
Abstract: We study simultaneous alternating power iteration for fixed-order asymmetric rank-one spiked tensor models. Our main contribution is a finite-iteration local theory that is independent of any particular initialization. Once the iterates enter a sufficiently small neighborhood of the planted rank-one direction, their error decomposes into a geometrically decaying transient and an intrinsic noise floor caused by fixed orthogonal noise contractions at the planted point. The deterministic finite-sample conditions are stated explicitly, but under a coarse fixed-order multilinear noise event they reduce to a conservative high-signal regime for fixed or slowly expanding local radii. We then separate the warm-start mechanism from any specific spectral construction. A generic one-sweep principle shows that, if a sign-compatible initializer has correlation \(\gamma_N\), first-sweep noise level \(a_N\), and \(a_N/(\gamma_N^{d-1}\omega_{N,d})\to0\), then one can choose an expanding radius \(r_N=o(\omega_{N,d})\) for which the first sweep enters the local basin. After entry, the local affine contraction yields convergence to the unique informative local fixed point in that basin. For centered-Gram initialization, we verify the required correlation and same-sample first-sweep noise bound under i.i.d. finite-fourth-moment noise by a signal-preserving noise-only leave-one comparison and an averaged leave-one slice-contraction estimate, which we call a pressed-back estimate. The leave-one comparison keeps the spike fixed and averages over the deleted coordinate, so planted coordinates enter through \(\ell_2\)-weighted sums rather than worst-case incoherence bounds.
Authors: Jing Zhang, Norman Scheel, Minheng Chen, Tong Chen, Yanjun Lyu, David C. Zhu, Rong Zhang, Dajiang Zhu
Abstract: Understanding how structural connections are associated with tau propagation in Alzheimer's disease (AD) remains a central open question, yet existing computational models either rely heavily on biophysical assumptions or lack neurobiologically interpretable pathway maps. We present SC-TauPath, a structural connectivity (SC) attribution framework that maps tau propagation pathways from in vivo neuroimaging data. SC-TauPath combines a Network Diffusion Model (NDM)-augmented multilayer perceptron with gradient $\times$ input attribution to score each SC edge's contribution to tau prediction, then translates these attribution scores into multi-scale pathway maps (backbone edges, high-traffic routes, and hub ROIs), which validates established Braak staging anatomy. Applied to 234 ADNI participants with paired DTI SC and 18F-Flortaucipir PET, SC-TauPath achieves strong cross-validated tau prediction and yields attribution-based pathway maps consistent with established Braak staging anatomy, demonstrating that SC encode spatially specific information about regional tau distribution in AD.
Authors: Sinan Y{\i}ld{\i}r{\i}m, Megha Khosla
Abstract: Existing privacy analyses for Graph Neural Networks (GNNs) largely inherit assumptions from non-graph settings, overlooking structural correlations and stochastic training-graph sampling. In particular, node-dependent priors make type-I and type-II errors alone insufficient to characterize the best membership inference test. To address this, we introduce Bayesian Membership Privacy (BMP), a sampling-aware formulation of node-level membership privacy that incorporates node-dependent priors and treats graph sampling probabilities as part of the adversary's knowledge. BMP casts membership inference as a Bayesian hypothesis test and accordingly quantifies membership privacy in terms of posterior membership probability. We explore theoretical properties of BMP in relation to the existing definitions in the literature. We further propose a practical, sampling-aware auditing mechanism to estimate the parameters of BMP as a measure of node-level privacy leakage in GNNs. We conduct experiments on benchmark graph datasets and show that BMP yields fine-grained privacy insights that are not visible through global attack accuracy alone.
Authors: Avidan Shah, Jay Chooi, Jinghua Ou, Shi Feng
Abstract: As language models increasingly consume one another's outputs, covert influence -- a phenomenon where a sender's payload (the behavioral disposition it is conditioned to propagate) transfers to a receiver through carriers undetectable by humans -- becomes a growing risk. We characterize this risk across three interfaces: supervised fine-tuning, on-policy distillation, and in-context learning, and find that they vary in the scale of influence achievable without leaving behind human-visible traces. Using inference-time per-sample attribution scores, we study covert influence across all three interfaces with the ability to select carriers that amplify training-time influence, unlocking payload transfers that prior work could not achieve. We further provide evidence that covert influence with natural-language carriers is a distinct phenomenon from prior studies using number carriers, as the latter is more resistant to human detection and less portable across model families. Together, these results suggest that the risk surface for covert influence is broader than previously recognized, and we study pointwise attribution scoring methods as a tool to investigate and mitigate it.
Authors: Pragya Sharma, Brian Wang, Mani Srivastava
Abstract: Deep learning models are increasingly central to autonomous vehicle (AV) pipelines, yet their integration has traditionally followed a monolithic design where perception, planning, and control execute on a single onboard computer. This design overlooks the emerging paradigm of cooperative autonomy, where vehicles interact with roadside units (RSUs), edge servers, and cloud-hosted intelligence through vehicle-to-everything (V2X) connectivity. Cooperative perception and control improve safety and efficiency, but also introduce systems-level challenges: network latency, compute heterogeneity, and multi-tenant contention, all critically affect real-time decision-making. These challenges are further amplified by the increasing reliance on large foundation models, whose scale necessitates cloud deployment. We present CADET (Cooperative Autonomy through Distributed Experimentation Toolkit), a modular platform for systematic and reproducible evaluation of distributed cooperative autonomy systems under realistic deployment conditions. CADET decouples the AV stack into composable modules that can be flexibly deployed across vehicles, infrastructure, and edge/cloud tiers. The framework integrates state-of-the-art models, incorporates trace-driven network and workload emulation, and provides synchronized model-, system-, and task-level instrumentation. Through V2V and V2I experiments, we show that distributed deployment choices fundamentally shape safety, with V2V intent packets outperforming cloud-based perception and RSU-assisted perception sustaining safety until overloaded by concurrent requests. Although designed for AV pipelines, CADET also supports dataset-driven experimentation, enabling systems and ML researchers to benchmark distributed inference workloads independently of full vehicle simulation. CADET is open source, with code and demo available at https://nesl.github.io/cadet-web.
Authors: Shimon Malnick, Matan Rusanovsky, Ohad Fried, Shai Avidan
Abstract: Flow matching models learn to transport samples from a simple prior distribution to a complex data distribution. When prior-data pairs are coupled via optimal transport (OT), the learned trajectories are straight and non-crossing, enabling fast, even single-step, generation. However, computing the OT coupling in high dimensions is intractable, and existing methods attempt to solve the OT problem, at the cost of persistent bias or significant overhead. Rather than solving for the OT coupling, we reformulate the problem. Once the prior is treated as a design choice rather than a fixed input, the OT coupling between prior and data is no longer unique. Many priors admit an OT-optimal identity coupling to the data, leaving us free to choose one that is also tractable to sample. We identify low-frequency projection of natural images as such a choice. The identity coupling between data and its low-frequency representation is empirically OT-optimal, the prior is structured enough to be sampled by a lightweight model at inference, and the remaining flow-matching task reduces to synthesizing high-frequency detail. Interpolating the prior with Gaussian noise further improves generation quality while preserving the OT coupling. The approach requires no modifications to the flow model itself, and integrates naturally with latent-space models, classifier-free guidance, and one-step generation frameworks. Across all benchmarks, our method reduces trajectory curvature by more than $2\times$ compared to existing flow matching methods, yielding better generation quality in the few-step regime.
Authors: Xinming Wei, Chao Jin, Tuo Dai, Yinmin Zhong, Shan Yu, Chengxu Yang, Bingyang Wu, Zili Zhang, Jing Mai, Qianchao Zhu, Zhouyang Li, Yuliang Liu, Guojie Luo
Abstract: Large-scale expert parallelism (EP) is becoming pivotal for training and serving frontier MoE models, but it also amplifies device-level expert load imbalance into compute stragglers, token all-to-all bottlenecks, and activation-memory spikes. Existing balancers redistribute experts periodically based on historical load, which becomes unreliable for production deployments with non-stationary load patterns. We present UltraEP, the first exact-load, real-time balancer for large-EP MoE training and serving prefill on rack-scale nodes (RSNs). Built upon the extended scale-up connectivity of RSNs, UltraEP rebalances every microbatch and layer on critical paths, which requires nontrivial co-design of plan solving and expert replication communication to minimize exposed overhead. To this end, UltraEP eagerly reacts to post-gating load with efficient quota-driven planning, and executes the resulting irregular expert-state transfers with RSN-native persistent tile streaming and relay-based fan-out mitigation. Averaged across MoE models from 106B to 671B parameters in training and prefill, UltraEP achieves 94.3% of the force-balanced ideal throughput, delivering 1.49$\times$ improvement over non-balancing, while reducing the final inter-rank imbalance from 1.30$-$4.01 to 1.01$-$1.04. Additionally, we validate UltraEP's scalability and robustness in production MoE training with 2560 GPUs.
Authors: Alejandro Ballesta Rosen, Jason Mikiel-Hunter, Julian Maclaren, Jack Collins, Richard F. Lyon, Simon Carlile
Abstract: Conventional hearing aids rely on fixed, frequency-dependent amplification and compression to manage reduced sensitivity, which often fails to provide sufficient listening support in complex environments, such as situations with multiple speakers (the ``cocktail party'' problem). To more comprehensively address the underlying encoding dysfunctions of hearing loss, we introduce the Differentiable Auditory Loop (DAL), a new open-source framework for personalized hearing aid design and fitting. Our first implementation of DAL incorporates CARFAC, a differentiable model of human cochlear function, which we ported to JAX, to optimize a deep neural network to match impaired auditory neural activity patterns with a normal-hearing reference. To build a hearing aid with the fine-grained spectro-temporal signal processing required, we adopt SEANet, a waveform-to-waveform fully convolutional UNet generator. We fine-tune the network by comparing the outputs of a CARFAC model fitted to normal hearing with that of a CARFAC model fitted to match each subject's individual hearing impairment. The comparison is done using loss functions derived from the respective CARFAC neural activity pattern (NAP) outputs and stabilized auditory images (SAIs), the latter providing a 2D representation that captures phase-insensitive temporal structure in the auditory nerve output. Through gradient descent, the SEANet model learns to both denoise the input and compensate for the hearing loss modelled by the impaired CARFAC model. Across neural-representation and signal-fidelity metrics, the DAL-optimized SEANet model outperformed the tested master hearing aid (MHA) baselines. The DAL framework provides a practical path toward model-based, machine-learning-driven personalization of hearing aid signal processing. Next steps include hardware deployment to enable real-world clinical testing.
Authors: Guangda Ji, Qimin Chen, Qinchan Li, Mingrui Zhao, Kai Wang, Hao Zhang
Abstract: Single-view 3D generative models have achieved impressive visual quality, yet they are not designed to satisfy structural or functional requirements, and in practice, often fall short. Symmetry is one such requirement: violations, even subtle ones, on symmetry can render a model physically unusable. We present SymTRELLIS, a method that enforces arbitrary finite point group symmetries (rotational, reflectional, and polyhedral) during the flow-based 3D generation of TRELLIS.2, without retraining the underlying VAE or flow model. Our key idea is to approximate the latent-space action of spatial transformations as a learned linear operator on voxel latents, implemented as a lightweight spatial-transform latent mapper trained on generic, non-symmetric 3D data. At generation time, we enforce symmetry by averaging predicted flow velocities across all symmetry-equivalent transformations at each ODE step, a process we call velocity symmetrization. The symmetry specification can be estimated automatically from an initial TRELLIS.2 generation or supplied by the user, enabling deliberate fold manipulation beyond what the input image suggests. On a curated benchmark of 266 strictly symmetric objects spanning 2- to 20-fold rotations and polyhedral symmetry groups, SymTRELLIS substantially reduces all symmetry error metrics compared to TRELLIS.2, Hunyuan3D-2.1, and TripoSG, while maintaining reconstruction accuracy comparable to the base model.
Authors: Idan Refaeli, Maya Swisa, Itay Buchnik, Alon Zada, Guy Amir, Elad Mandelbaum, Ziv Freund, Guy Katz
Abstract: We present our ongoing work on the veriFIRE project: a collaboration between industry and academia, aimed at applying verification to increase the reliability of a real-world, safety-critical system. Specifically, we target an airborne platform for wildfire detection, which incorporates two deep neural networks. We present an end-to-end methodology for verifying \textit{consistency properties} in this system. Our approach encodes application-grounded requirements into solver-compatible queries for existing neural network verifiers. We study properties of interest over critical operational scenarios: (i) monotonicity of detector confidence as target intensity increases; and (ii) bounded detector response under physically plausible blur over the sensor. We instantiate these encodings using state-of-the-art neural network verification backends and evaluate them at scale on real background samples. For the first property, all verification queries are solved in under five minutes. For the second property, verification is substantially harder, highlighting key scalability challenges for richer, higher-dimensional specifications. Overall, the results demonstrate that meaningful, domain-specific guarantees can be obtained for industrial systems.
Authors: Mansoor Ahmed, Huirong Chai, Haoxin Wang, Hemanth Venkateswara, Murray Patterson
Abstract: Antibodies neutralize foreign antigens by binding to specific surface regions called epitopes. Computational epitope prediction is critical for understanding immune recognition and guiding antibody engineering. However, existing methods face three fundamental challenges: antibody-aware models encode each chain independently and combine them only at a late stage, failing to capture co-dependent structural features that define binding interfaces, whereas severe class imbalance and scarcity of known antibody-antigen complexes render standard training objectives ineffective. We propose EpiFormer, a general encoder-decoder framework that addresses these challenges jointly. Our key design principle is interleaved cross-attention within GNN encoding layers, enabling bidirectional antigen-antibody information flow throughout representation learning rather than only at the output. This early-fusion principle is backbone-agnostic, providing consistent gains across GNN architectures from simple GCNs to equivariant models. We further show that sparsity-aware objectives are effective when paired with early-fusion architectures for the epitope prediction task. EpiFormer improves over the previous best method by over 40% in F1 score on standard benchmarks, demonstrating generalizability and cross-dataset transferability. Notably, EpiFormer discovers known biological principles as emergent behaviors of end-to-end training, where the learned cross-attention gates favor antigen-to-antibody information flow, consistent with the asymmetric roles of the two chains at the binding interface, and the model's preference for geometric over evolutionary features aligns with the established finding that epitope residues are not evolutionarily conserved. The source code is available at: https://github.com/mansoor181/epiformer.git
Authors: Anna C. Marbut, Daniel R. Olson, Travis J. Wheeler
Abstract: Safety alignment in instruction-tuned large language models (LLMs) depends on a model's ability to reliably refuse to respond to harmful or disallowed requests. Recent work has shown that a steering vector can be applied to a dense LLM during inference to effectively suppress refusal behavior, inducing response to harmful requests. We extend this refusal steering method to three open-source Mixture-of-Experts (MoE) LLMs and find that steering performance is uninhibited by the complex routing patterns inherent to the MoE architecture. We then propose two expert-aware refusal steering methods that leverage refusal-specific expert routing patterns and expert-specific steering directions to suppress normal refusal behavior. We find that refusal behavior can be effectively steered based on the output of a single expert. Our results show that refusal signals captured by steering methods differ from expert routing behavior, suggesting a substantial role for attention in MoE refusal behavior.
Authors: Cheng Jiang, Sitian Qian, Kevin Pedro, Oz Amram, Huilin Qu, Maggie Voetberg
Abstract: High-precision calorimeter simulation at current and future colliders imposes rapidly growing computational demands, motivating the development of machine-learning surrogates for traditional Monte Carlo tools such as Geant4. Flow matching and diffusion-based generative models have become leading approaches for high-dimensional fast simulation because of their sample quality, but typically require ${\cal O}(100)$ function evaluations at inference and often rely on auxiliary networks to constrain global observables, compromising streamlined end-to-end generation. We introduce a unified framework that improves the balance between speed, shower quality, and physics fidelity. The method combines: (i) an average velocity field integrator that enables sampling in one or a few evaluations; (ii) a learned generative prior in shower space, constructed from data rather than random noise; and (iii) physics-guided loss terms that impose inductive biases on key observables during training. These elements are training time regularizers, preserving end-to-end inference with no additional cost. With only one or a few evaluation steps, the model achieves shower quality competitive with state-of-the-art flow and diffusion approaches, tested on several public high granularity calorimeter datasets. The results demonstrate inter-layer shower structure consistent with the underlying physics, providing a strong candidate for future fast simulation workflows.
Authors: Michael J. Bommarito II
Abstract: File-type classification underlies many workflows like malware triage, forensic carving, packet inspection, and storage indexing. Learned systems such as Google's Magika assume whole-file access at a known offset, so they break on the inputs many of these tasks actually produce, like a single packet payload, a header-less carved fragment, a random disk block, or a chunked upload. We introduce MimeLens, a family of small BERT-style encoders pretrained on binary content from windows sampled at a uniformly random offset within each file, with no privileged head-of-file position, in standard- and short-context variants. A byte chunk goes in from anywhere in a file, no header needed and no fixed size; out comes one of libmagic's 125 MIME labels. On the clean head of complete files, MimeLens beats Magika v1.1 by +10.7 pp top-1 on libmagic-labeled data, and it keeps classifying where Magika cannot: from a single mid-stream UDP packet, and more than twice as accurately as libmagic and Magika on random mid-file disk blocks. The cost is latency: MimeLens runs roughly one to two orders of magnitude slower per sample on CPU than Magika, though it matches on consumer GPUs or in batch. All trained checkpoints are released on Hugging Face (mjbommar/mimelens-001-*).
Authors: Aya Vera-Jimenez, Samuel Jaeger, Calvin Ibenye, Dhrubajyoti Ghosh
Abstract: The increasing use of large language models has raised concerns about the spread of AI-generated fake news, particularly under varying prompting strategies. Most existing detection models are trained and evaluated under a single generation setting, leaving their ability to generalize across unseen prompts unclear. In this study, we investigate cross-prompt generalization in fake news detection using three datasets of AI-generated articles produced under distinct prompts, combined with real news articles. We extract interpretable linguistic features capturing lexical diversity, readability, and emotion-based characteristics and evaluate a random forest classifier under a cross-prompt framework, where models trained on one prompt are tested on another. Across all six train-test combinations, performance remains consistently high, with AUC values ranging from 0.988 to 1.000. Analysis of feature distributions shows that AI-generated text exhibits increased lexical diversity, reduced readability, and substantially lower emotional intensity compared to the overall dataset, with variations across prompts. Despite these distributional shifts, the classifier maintains strong performance, indicating that these features capture stable properties of AI-generated text that generalize across prompting strategies. These findings suggest that feature-based approaches can provide robust detection of AI-generated fake news under prompt variability.
Authors: Sajad Ebrahimi, Nima Jamali, Bardia Shirsalimian, Kelly McConvey, Wentao Zhang, Jalehsadat Mahdavimoghaddam, Maksym Taranukhin, Maura Grossman, Vered Shwartz, Yuntian Deng, Ebrahim Bagheri
Abstract: The growing popularity and capacity of generative models have eroded the distinction between human and machine-generated content, motivating a growing body of work on detection across text, images, and audio. Most available detectors are either commercial software or, if open-source, come with incompatible codebases with bespoke preprocessing, evaluation protocols, and evaluation metrics, which make their adoption, fair comparison, and reproduction quite difficult. To address this critical gap, we introduce DetectZoo, a first-of-its-kind, extensible toolkit designed to provide a unified interface for AI-generated content detection across text, audio, and image modalities. DetectZoo standardizes the complete empirical pipeline, from data ingestion and preprocessing to model assessment, offering researchers a cohesive framework to benchmark state-of-the-art detectors systematically. By integrating diverse public datasets and baseline detection algorithms under a single, unified API, our toolkit facilitates rigorous and reproducible evaluation. DetectZoo provides reference implementations of 61 detectors, native loaders for 22 benchmark datasets, and a standardized evaluation pipeline that reports multiple metrics through a common interface. Each detector is self-contained yet accessible through the same interface, automatically caches pretrained weights, and reproduces the original published results. DetectZoo lowers the barrier to entry for multi-modal AI forensics, enabling researchers to identify performance gaps across domains and accelerating the development of robust, generalizable detection techniques. The open-source repository and comprehensive documentation are publicly available at https://github.com/sadjadeb/DetectZoo, and the package can be installed via pip install detectzoo.
Authors: Jong-Ik Park, Shreyas Chaudhari, Jos\'e M. F. Moura, Carlee Joe-Wong
Abstract: Randomized smoothing (RS) certifies robustness in the vector space where Gaussian noise is added. In audio classification, this space is often not uniquely defined as standard pipelines normalize, range-control, and transform waveforms into log-mel or other spectral features. We show that direct RS is therefore under-specified unless the certified object and preprocessing policy are explicit. On two audio benchmarks, keyword spotting and environmental-sound classification, we study waveform, feature-space, and post-processed smoothing. Our diagnostics show why representation-aware reporting is necessary: at the same smoothing level $\sigma=0.0025$, the two datasets share the same median raw radius $.007996$, but different waveform energies yield different SNR-equivalent scales ($83.98$ vs. $90.97$ dB); log-mel smoothing gives higher positive-radius certified accuracy on environmental sounds ($68.42\%$ vs. $65.53\%$), certifying more examples with nonzero radius but over features rather than waveforms; and clipping or peak normalization changes the effective perturbation norm by roughly $230$--$351\times$. We therefore recommend that audio RS studies choose and report the task-specific certified object and perturbation model, including the perturbation location, gain policy, raw radius, and any post-noise geometry changes.
Authors: Giries Abu Ayoub, Mario Barbara, Llu\'is Pastor-P\'erez, Tanja Bien, Aneesh Barthakur, Alaa Maalouf, Loay Mualem
Abstract: Discrete diffusion language models can generate text efficiently by updating multiple masked positions in parallel, but this parallelism introduces a quality-latency trade-off. Aggressive decoding may commit mutually dependent tokens too early, while conservative decoding requires many denoising steps. Existing methods address this tension by deciding which tokens are safe to reveal using confidence or dependency criteria. However, avoiding unsafe commits does not necessarily make the remaining masked sequence easy to decode, since uncertain tokens may depend on masked tokens, creating a bottleneck for denoising steps. We propose AXON, a training-free module that can be added on top of existing parallel decoding strategies for diffusion language models. Rather than replacing the base decoder, AXON monitors the remaining uncertain masked tokens and intervenes only when their current state suggests that additional context is needed. It then shifts the criterion from which tokens are safest to reveal to which confident reveals would best support later denoising. AXON selects anchors, confident masked tokens that uncertain positions attend to, using attention, uncertainty, and confidence signals. Experiments on reasoning and code-generation benchmarks across multiple diffusion language models show that AXON improves the quality-latency trade-off of existing parallel decoders, often reducing the number of function evaluations while maintaining or improving accuracy.
Authors: Amirhossein Dabiriaghdam, Shayan Vassef, Mohammadreza Bakhtiari, Yasamin Medghalchi, Ilker Hacihaliloglu, Mesrob Ohannessian, Lele Wang, Giuseppe Carenini
Abstract: Multimodal large language models are increasingly capable of complex reasoning, yet their performance often degrades when they must externalize a problem through a tool and then reason over the tool's output, specifically when they rely on visual aids. This gap is especially important because real engineering and scientific workflows often rely on visualization tools for analysis, validation, and decision-making. To study this discrepancy, we introduce VAMPS (Visual-Assisted Mathematical Problem Solving), a benchmark for graph-assisted mathematics. VAMPS contains 1,168 multimodal, bilingual multiple-choice question-answer pairs drawn from Iranian University Entrance Exam algebra and calculus problems and expanded with human-reviewed LLM-generated synthetic variants, all selected so that plotting provides a natural solution strategy by revealing intersections, extrema, asymptotes, etc. Designed for both benchmarking and diagnosis, VAMPS goes beyond prior multimodal benchmarks that primarily evaluate reasoning over fixed visual inputs by testing whether a model can benefit from constructing a useful graph and grounding its answer in the resulting visualization. Overall, we found that across a diverse set of models, direct analytical solving surprisingly outperforms tool-enabled visual solving, even on problems where plotting is a natural strategy.
Authors: Feiyang Kang, Hanze Li, Adam Nguyen, Mahavir Dabas, Jiaqi W. Ma, Frederic Sala, Dawn Song, Ruoxi Jia
Abstract: Curating training data is among the most consequential yet labor-intensive parts of modern AI development: practitioners iteratively propose, implement, evaluate, and revise data policies against noisy benchmark feedback. We ask whether generalist coding agents can automate this data-curation loop. We introduce *Curation-Bench*, an agent-centric benchmark that fixes the model, training recipe, and evaluation suite while giving agents command-line access to inspect data, implement policies, submit them to a fixed training/evaluation pipeline, and revise. In a vision-language instruction-tuning instantiation, out-of-the-box agents reach strong published data-selection baselines within ten iterations. However, trajectory analysis reveals a persistent *execution-research gap*: agents mainly tune local policy variants rather than explore new policy families, even when given strategy guides and paper references. Scaffolds requiring each iteration to cite, instantiate, and adapt a prior method shift agents toward method-guided exploration. The scaffolded agent autonomously composes -- without human design input -- a data-selection policy that outperforms strong published baselines at one-tenth their data budget. Overall, current agents can run the curation loop, but reliable data research requires scaffolded method adaptation, not open-ended prompting alone. Code and benchmark are open-sourced.
Authors: Daisuke Inoue, Mathieu Lauri\`ere, Dante Kalise
Abstract: The Schr\"odinger Bridge Problem constructs a stochastic process that connects an initial distribution to a terminal distribution with minimum energy. This work considers its mean-field extension, the Mean-Field Schr\"odinger Bridge, for interacting particle systems. With nonlocal interactions, evaluating the resulting particle-dependent distributional terms can scale quadratically with the population size, which makes large-scale problems intractable. We address this bottleneck by approximating the nonlocal interactions with neural network surrogates. The resulting four-stage alternating algorithm reduces the per-step cost from quadratic to linear in the population size at inference. We also derive Gr\"onwall-type stability bounds that show how surrogate errors propagate to the generated trajectories. In numerical experiments on navigation and opinion-dynamics tasks, the proposed method reproduces trajectories obtained with analytical evaluation and reduces training time.
Authors: Alireza Sarmadi, Virinchi Roy Surabhi, Prashanth Krishnamurthy, Hussam Amrouch, Ramesh Karri, Farshad Khorrami
Abstract: Deep neural networks (DNNs) are used in a variety of real-world applications including, for example, image classification and speech recognition. The inference accuracy of DNN implemented on hardware in integrated circuits (ICs) degrades under phenomena such as transistor aging. Aging slows down the switching speed of transistors, resulting in system-level timing violations due to unsustainable clocks. To maintain reliability for the entire projected lifetime, designers add guardbands to prevent timing violations; however, adding large timing guardbands causes losses in performance (speed or throughput). This chapter provides a detailed discussion of the effects of long-term and short-term transistor aging on DNN inference accuracy. Furthermore, to mitigate aging effects on DNN's accuracy and keep them at bay, a methodology for aging-aware retraining is presented in order to generate a resilient DNN even when aggressive (i.e., smaller than required) guardbands are used. This improves the inference accuracy of the DNNs even in the presence of aging-induced degradation. These effects are discussed in this chapter along with mitigation strategies on a hardware implementation of a DNN for image classification on an off-the-shelf image dataset. The application of short-term aging as an excitation mechanism for the detection of hardware Trojans in integrated circuits is also briefly discussed.
Authors: Haojun Qiu, Kiriakos N. Kutulakos, David B. Lindell
Abstract: We consider the problem of generating images whose internal structure -- defined by the distribution of patches across multiple scales -- matches that of a single reference image. Recent approaches address this problem by training a diffusion model on a single image. But even in this setting, training is computationally expensive and requires hours of optimization. Instead, we model the image using a dataset of its patches at different scales. As this dataset is finite and the dimensionality of its patches is small, the score function for a noisy patch can be computed tractably using an optimal, closed-form denoiser, eliminating the need for neural network training. We integrate this patch-based denoiser into an efficient, training-free image diffusion model, and we describe how our method connects to classical patch-based image restoration techniques. Our approach achieves state-of-the-art generation quality and diversity compared to trained single-image diffusion models, and we demonstrate applications, including unconditional image generation, text-guided stylization, image symmetrization, and retargeting. Further, we show that our approach is compatible with latent space diffusion, and we show multiple additional acceleration techniques to achieve megapixel single-image generation in one second, and gigapixel generation in minutes.
Authors: Haocheng Xia, Mihir Pamnani, Hanxi Fang, Supawit Chockchowwat, Yongjoo Park
Abstract: Key-value (KV) caching accelerates inference of large language models (LLMs) by reusing past computations for generated tokens. Its importance becomes even greater in long-context applications such as retrieval-augmented generation (RAG) and in-context learning (ICL). However, conventional KV caching embeds positional information directly into the cache, limiting its reusability. Existing solutions either restrict reuse to prefixes or require expensive memory materialization for positional re-encoding. We introduce LazyAttention, a novel attention mechanism that kernelizes deferred positional encoding to enable zero-copy, position-agnostic KV reuse. By adjusting positional encoding within attention kernels on-the-fly, LazyAttention resolves the materialization bottleneck, allowing a single physical KV copy to serve multiple logical requests at arbitrary positions. Leveraging attention kernels tailored for prefilling and decoding, our system achieves significant efficiency improvements: under skewed document distributions, it reduces time-to-first-token (TTFT) by 1.37$\times$ and increases inference throughput by 1.40$\times$ compared to the state-of-the-art Block-Attention, while maintaining comparable output quality.
Authors: Bin Duan, Zeyu Bai, Guowei Yang
Abstract: Deep neural networks are increasingly deployed across heterogeneous and partially untrusted environments, where models are distributed through cloud storage, CI/CD pipelines, containerized services, and edge execution platforms. This broad deployment landscape exposes model parameters to various integrity risks. Unlike input-space adversarial attacks, parameter attacks directly tamper with the model's internal parameters and persist across all subsequent inferences. Existing defenses either require retraining, incur significant accuracy degradation, or are limited to specific attack classes. However, in real-world deployment scenarios, the forms of parameter attacks are often unpredictable. To address this challenge, we present ParDef, a generalized defense for deep neural networks against diverse types of parameter attacks. ParDef integrates keyed channel reparameterization, which obscures sensitive parameter directions, QC-LDPC quantization, which embeds redundancy and supports error correction, and adaptive robust inference, which stabilizes predictions under uncertainty. Our evaluation on CIFAR-10, CIFAR-100, and Tiny-ImageNet using ResNet and VGG models demonstrates that ParDef consistently reduces attack success rates across different parameter attacks while maintaining high model performance and incurring only moderate deployment overhead. These results highlight that ParDef is a practical and generalized defense for DNN deployments.
Authors: Isha Abid, Fawad Khan, Muhammad Khuram Shahzad
Abstract: This paper presents HYolo, an intelligent IoT-based object detection framework that integrates hypergraph learning into the YOLO architecture. Traditional YOLO-based object detection models primarily capture pairwise feature interactions and may fail to model complex high-order relationships among objects and contextual features. To address this limitation, HYolo incorporates hypergraph learning to capture richer contextual dependencies and improve object representation. Experimental evaluation on the COCO dataset demonstrates significant performance improvements over baseline YOLO models. The proposed approach achieves approximately 12% improvement in mAP@50 while enhancing overall detection accuracy and robustness. By modeling high-order feature relationships, HYolo provides improved contextual understanding and more reliable object detection performance in IoT-based environments. The results indicate that integrating hypergraph learning into object detection pipelines offers a promising direction for intelligent and context-aware IoT vision systems.
Authors: Xinyu Pang, Zhanke Zhou, Xuan Li, Fangrui Lv, Shanshan Wei, Sen Cui, Bo Han, Changshui Zhang
Abstract: Symbolic regression (SR) discovers compact mathematical expressions from data, yet recent LLM-based evolutionary methods remain sample-inefficient because they rely mainly on scalar feedback such as MSE. We identify a core limitation: existing methods conflate candidate proposal with search guidance, requiring the LLM to infer how to evolve an expression, diagnose its errors, and reuse past experience from a single score. To address this, we propose Deliberate Evolution (DE), an agentic framework that decouples symbolic generation from search control. DE guides LLM proposals with adaptive operators for search direction, analytical tools for structural diagnosis, and reflective memory for trajectory-level experience. Experiments on LLM-SRBench show that DE consistently outperforms representative LLM-based SR baselines across diverse scientific domains while using only 40% of the standard sample budget.
Authors: Dhanesh Ramachandram
Abstract: Concept bottleneck models (CBMs) predict a layer of human-named attributes before predicting a class, which makes their decisions auditable. On fine-grained recognition tasks the concept heads are usually free to attend anywhere in the image, so a head named for one body region can be satisfied by evidence on another. This work studies a part-factorized CBM that removes that freedom by construction. The method has three components built on a frozen DINOv3 vision transformer. A learned foreground gate, trained on DINOv3 patch features, suppresses background patches inside the part attention. A set of part queries cross-attends to patch features and each of the 312 CUB attributes is routed, through a fixed concept-to-part map, to read only from the part token its name implies. A learnable two-dimensional Gaussian prior, injected additively in log space into the attention logits, breaks the permutation symmetry among part queries; its means are initialized from the dataset-average keypoint location of each part, which requires no per-image keypoint supervision at training or test time. On CUB-200-2011 the spatial-prior model matches a fully supervised baseline (88.85% versus 88.95% top-1) while raising pointing accuracy by 16 points (52.6% versus 36.4%). Replacing bounding-box supervision with a PCA foreground target and combining it with the Gaussian prior removes all per-image supervision and reaches 88.6% top-1 at about 70% pointing accuracy. A keypoint-fraction sweep shows that 0.5% of the training set (about 27 images) suffices to initialize the prior with no measurable loss. Removing part identity entirely is the harder case: without any spatial prior, pointing accuracy collapses to $2.9\%$.
Authors: Weijia Li, Shun Hu, Yanfei Kang
Abstract: Forecast reconciliation usually starts from a fixed measurement system and asks how forecasts should be projected onto a coherent space. We ask a different question: which additional linear measurements should be forecast and included in the reconciliation system? We propose REGAIN, a reconciliation-gain framework that learns normalized auxiliary directions, forecasts the induced series with a frozen forecasting oracle, and selects directions by their target-weighted loss reduction after augmented generalized least-squares reconciliation. Unlike variance-based components or predictability-based auxiliary selection, REGAIN optimizes the downstream effect of an auxiliary measurement on the final reconciled forecasts. We provide a statistical characterization showing that useful auxiliary directions must provide complementary information about unresolved target uncertainty, rather than merely being easy to forecast. The analysis also clarifies the covariance-risk reduction mechanism, the role of bias changes in realized quadratic risk, and the stability of estimated gain signals. A stagewise learning algorithm with held-out gain screening is developed, together with an optional joint refinement step. Experiments on Beijing PM2.5 and Australian Tourism data show that gain-selected measurements can improve both ordinary multivariate and hierarchical forecasts, especially when they reveal residual uncertainty not captured by the original measurement system.
Authors: Muhammad Hadi, Muhammad Jahangir, Talha Shafique, Muhammad Khuram Shahzad
Abstract: Federated Learning (FL) has emerged as an effective paradigm for collaborative intelligence while preserving data privacy. However, data heterogeneity arising from non-IID distributions and decentralized security threats remain significant challenges, particularly in resource-constrained enterprise environments. This paper presents TITAN-FedAnil+, a Trust-Based Adaptive Network for blockchain-enabled federated learning in intelligent enterprises. The proposed framework introduces affinity propagation-based adaptive clustered aggregation to identify and filter malicious updates without requiring prior knowledge of the number of attackers. In addition, GPU-accelerated vectorization is employed to improve computational efficiency, while a signed state jump mechanism enables lightweight blockchain resynchronization. Experimental results demonstrate substantial reductions in memory overhead, achieving up to 81% savings across 50 communication rounds on constrained 8 GB edge devices compared with the baseline framework. The results indicate that TITAN-FedAnil+ effectively improves robustness, scalability, and resource efficiency for secure federated learning deployments in intelligent enterprise environments.
Authors: Huiqi Zhang, Wenyu Liao, Yiqing Shi, Xiaobo Huang, Fang Xie
Abstract: The deep neural network is a widely used framework in machine learning that has been widely applied in various fields. However, deep neural networks often involve a large number of parameters and inputs, many of which may be irrelevant to the goal or true output. These parameters and \textcolor{black}{input variables} not only increase computational complexity, but also contribute to additional computational cost. One solution to this problem is knockoff methods, which have proven successful in controlling false discovery rates in high-dimensional regression. Building on the knockoff methods and using the regularised neural network, this paper proposes three variable screening methods under the condition of controlling false discovery rates: \textit{one layer filter}, \textit{multiple layers filter}, \textit{variable weight aggregation filter}. In comparison with existing algorithms, we find that our algorithms show satisfactory performance.
Authors: Luoyidi Zhou
Abstract: Modern deep neural networks usually have large parameter scales and nonlinear hierarchical structures, and they have achieved strong performance in computer vision. However, the source of their generalization performance remains difficult to explain using traditional statistical learning theory. Among the factors that may affect visual generalization, data scale, model complexity, and input modalities are fundamental and controllable variables. This study empirically analyzes how these three factors influence model generalization performance. Specifically, in a preliminary experiment, we construct a one-dimensional nonlinear function and vary the number of training samples and the polynomial degree to observe the effects of data scale and model complexity on model performance. In the main experiments, we compare model performance on CIFAR-10 and CIFAR-100 under different training data scales, model architectures, and input modalities. The experimental results show that increasing the training data scale consistently improves generalization performance, whereas changes in model complexity do not provide stable gains. In addition, removing color information degrades model performance, while explicit prior features such as gradients, edges, and wavelets have inconsistent effects across different model architectures. Overall, this study provides an empirical analysis of the relationships among data scale, model complexity, input modalities, and visual generalization performance. Code and experimental logs are available at: https://github.com/zlyd-CV/DeepLearning-Empirical-Studies.
URLs: https://github.com/zlyd-CV/DeepLearning-Empirical-Studies.
Authors: Edward Y. Chang
Abstract: Many current agentic systems and LLM pipelines correct mistakes by optimizing outcome reward. This addresses only the what of failure: when an outcome diverges from prediction, the why and when of the mismatch are not systematically logged, reviewed, or corrected, so the same error can recur episode after episode. We argue that this is a structural problem, not merely a model-capacity one. We propose long-horizon temporal regret as a first-class objective alongside outcome regret and epistemic regret over the working causal model. Temporal regret captures when failure persists: how long a miscalibrated causal model is tolerated before correction. Epistemic regret captures why failure persists: residual uncertainty or error in the working causal model. Together, the three regrets give a falsifiable account of what, why, and when a long-lived agent can fail. Modeling the agent as a stream of E episodes, we prove three conditional results under explicit causal-probing, persistence, and detectability assumptions. First, under observationally equivalent confounding, outcome-only learning cannot distinguish causal from spurious structure without an intervention channel, so temporal miscalibration can persist linearly even after outcome regret is driven to zero. Second, with a persistent causal log and budgeted probes, total probe complexity is logarithmic in the episode horizon, inducing O(log E) temporal regret. Third, under K detectable change-points, the rate extends to O(K log E). We instantiate Trivium and pre-register five falsifiable predictions. On CausalBench-Seq, Trivium follows the predicted logarithmic envelope while outcome-only baselines grow linearly. A pilot real-LLM stream provides preliminary external-validity evidence across one full E = 500 run and three E = 100 frontier-model pilots. Self-learning here means revising an external causal model, not retraining LLM weights.
Authors: Harsh Vardhan, Hossein Taheri, Arya Mazumdar
Abstract: A common heuristic used to explain the generalization of first-order gradient methods on non-convex neural networks is that "flat interpolators generalize well" (Hochreiter and Schmidhuber, 1994; Keskar et al., 2017), where flatness can be measured by the trace of the Hessian of the empirical loss. However, Dinh et al. 2017) showed that, using symmetry of the network that can change flatness while keeping the population and empirical losses unchanged, any interpolator can be made sharper or flatter. This result makes the earlier heuristic statement vacuous. In this paper, we show that for learning an unknown multi-index model with $2$-layer non-convex homogeneous neural networks, there is a connection between flatness and generalization, despite the existence of symmetries. This connection pertains to the "flattest" interpolators, i.e., the interpolators that have orderwise minimum flatness among all interpolators. First, we show that there exists a natural class of non-generalizing interpolators whose flatness cannot be made closer to the flattest possible, even using symmetries. Second, we show that for data generated by a sum of single-index models, if the approximation error and label noise are low, any flattest interpolator achieves small population loss, i.e., the flattest interpolators always generalize. This establishes a direct link between flatness and generalization which applies to a large class of activations and realistic data distributions.
Authors: Zirui Wang, Junwei Yu, Adam Yala, David M. Chan, Joseph E. Gonzalez, Trevor Darrell
Abstract: Vision-language models (VLMs) are increasingly used in multi-image, multi-turn agentic settings where decisions depend on visual changes. However, in existing open-weight VLMs, visual comparisons happen only inside the language model, while the visual encoder itself remains stateless: each image is encoded independently, without access to the prior visual context. As a result, small but task-critical changes may be attenuated before the language model has a chance to compare them, especially when those changes do not affect the high-level semantics of the scene. We introduce a Stateful Visual Encoder, which conditions each visual representation on prior visual features. Under supervised finetuning, VLMs equipped with stateful encoders achieve consistent improvements on controlled tasks involving cross-image spatial aggregation, multi-object visual differencing, and visual trajectory behavior cloning. These improvements are consistent across input resolutions, language model sizes, and VLM backbones. Finally, we validate our model on real-world tasks, including longitudinal radiology, fine-grained image comparison, and remote sensing, where stateful encoders consistently improve generalist VLM baselines and can match or surpass specialized models in selected domains. Project page: https://statefulvisualencoders.github.io/
Authors: Niloufar Alipour Talemi, Hossein Kashiani, Fatemeh Afghah
Abstract: Multimodal In-Context Learning (ICL) has emerged as a practical inference paradigm for Multimodal Large Language Models, where a small set of interleaved image-text In-Context Demonstrations (ICDs) conditions the model to solve new tasks. Despite its flexibility, multimodal ICL incurs high inference latency and suffers from instability due to sensitivity to demonstration formatting, ordering, and content. To address these limitations, we propose Hyper-ICL, a lightweight, training-based framework for demonstration-free multimodal ICL that reconstructs demonstration effects directly without requiring ICDs at inference time. Hyper-ICL learns a parameter-efficient low-rank logit-level adapter that calibrates attention distributions to better match demonstration-induced attention redistribution. To capture how demonstration influence varies across queries, we introduce a query-adaptive modulation mechanism that adaptively controls intervention strength at token level across layers and heads based on the current query. Finally, we propose a layer-wise hyperbolic anchor distillation loss that aligns intermediate student features to a demonstration-conditioned teacher via Lorentz geodesic distance. This loss encourages the student to reconstruct the demonstration-query relationships induced by ICDs. Extensive experiments across six different multimodal benchmarks (including VQAv2, OK-VQA, and COCO Caption) demonstrate that Hyper-ICL consistently improves accuracy and stability over vanilla ICL and existing state-of-the-art methods.
Authors: R. Spencer Hallyburton, David Hunt, Miroslav Pajic
Abstract: Existing datasets cannot support large-scale learning in multi-agent, multi-sensor, or multi-domain autonomy, where diversity and coordination are essential. We present a modular dataset generation pipeline that creates terabyte-scale, ground-truth-labeled data for ground, aerial, and infrastructure-based systems using the AVstack framework and CARLA simulator. Supporting single- and multi-agent configurations with flexible sensor suites, the pipeline enables controllable experimentation across challenging conditions. Representative perception and fusion studies show how generated data can support application-specific training and collaborative autonomy.
Authors: Liyuan Zhang, Jiarui Zhang, Jinwei Yao, Ran Yan, Yuchen Yang, Jiahao Zhang, Tongkai Yang, Yi Wu, Binhang Yuan
Abstract: Speculative decoding accelerates autoregressive large language model inference by drafting multiple tokens and verifying them in a single target-model forward pass. Recent diffusion-based drafters generate an entire block of tokens in parallel but usually commit to a single draft sequence per verification: once the first mismatch occurs, all subsequent draft tokens are discarded, resulting in a limited acceptance rate. Naively batching more draft candidate sequences only introduces a marginal improvement, as redundant or poorly placed branches increase the cost of drafting and verification without proportionally increasing the number of accepted tokens. We propose D^2SD, a dual diffusion draft speculative decoding framework that organizes candidates into a confidence-guided prefix tree, where the first diffusion drafter generates a block along with per-position confidence scores that are used to identify the most likely rejection boundary and select the top-K prefix ranges for recovery; the second variable-prefix diffusion drafter re-anchors at each selected prefix and proposes alternative continuations in one batched pass; the resulting shared-prefix candidates are jointly verified via cascade attention. Empirically, D^2SD shows clear improvements over both the underlying diffusion approach and strong autoregressive speculative decoding baselines.
Authors: Hina Shakir, Mohammad Mohatram, Javeed Hussain, Syed Rizwan Ali, Muhammad Irfan Memon
Abstract: Radiomics enables extraction of quantitative imaging biomarkers from medical images and has become an important tool for computer-aided cancer diagnosis. However, radiomics datasets are typically high-dimensional with limited samples, making feature selection a critical step for building reliable predictive models. This study proposes a Gradient-Loss Recursive Feature Elimination (GL-RFE) framework that integrates gradient sensitivity analysis from a deep neural network to identify the most influential radiomic features for lung cancer stage detection. A total of 106 radiomic features were extracted from chest Computed Tomography (CT) scans using the PyRadiomics extension of the 3D Slicer platform. The proposed method evaluates feature importance by computing gradients of the network loss with respect to input features and recursively eliminates features with minimal contribution. The resulting top-15 radiomic features are used to train a deep neural network classifier for distinguishing early-stage and advanced-stage lung cancer. The proposed framework achieves strong classification performance, with accuracy of 90.22%, precision of 90.10%, recall of 90.24%, and F1-score of 90.16% on the test dataset. Visualization analyses, including correlation heat maps and distribution plots, further confirm reduced feature redundancy and improved class separability. Compared to conventional feature selection techniques, GL-RFE effectively captures nonlinear feature interactions and enhances model generalization. The presented protocol provides a reproducible and interpretable methodology for radiomics-based cancer stage detection and is particularly suitable for high-dimensional, small-sample biomedical datasets, with potential applications in other domains such as genomics and multimodal clinical analysis.
Authors: Tianneng Shi, Robin Rheem, Dongwei Jiang, Mona Wang, Francisco De La Riega, Zhun Wang, Jingzhi Jiang, Alexander Cheung, Sean Tai, Jonah Cha, Jianhong Tu, Gabriel Han, Chenguang Wang, Jingxuan He, Wenbo Guo, Dawn Song
Abstract: AI has the potential to transform cybersecurity by enabling systems that can autonomously detect, analyze, and remediate software vulnerabilities. However, existing cybersecurity evaluations of AI systems are limited in scale or scope, and fail to capture the end-to-end lifecycle of real-world software vulnerability discovery and remediation. To address this gap, we propose CyberGym-E2E, a large-scale and realistic end-to-end cybersecurity benchmark that comprehensively evaluates AI agents' abilities across the full lifecycle of vulnerability discovery, PoC generation, and patch generation. CyberGym-E2E is comprehensive and scalable, as we build an automated, agent-enhanced pipeline for transforming open-source vulnerability data into realistic evaluation environments. Currently, the benchmark consists of 920 real-world vulnerabilities across 139 different open-source projects.
Authors: Qingxu Fu, Boyin Liu, Shuchang Tao, Zhaoyang Liu, Bolin Ding
Abstract: We present AgentJet, a distributed swarm training framework for large language model (LLM) agent reinforcement learning. Unlike centralized frameworks that tightly couple agent rollouts with model optimization, AgentJet adopts a decoupled multi-node architecture in which swarm server nodes host trainable models and run optimization on GPU clusters, whereas swarm client nodes execute arbitrary agents on arbitrary devices. This design provides capabilities that are difficult to support in centralized frameworks: (1) heterogeneous multi-model reinforcement learning, enabling the training of heterogeneous multi-agent teams with multiple LLM as brains; (2) multi-task cocktail training with isolated agent runtimes; (3) fault-tolerant execution that prevents external environment failures from interrupting the training process; and (4) live code iteration, which allows agents to be edited during training by replacing swarm client nodes. To support efficient RL in multi-model, multi-turn, and multi-agent settings, AgentJet introduces a context tracking module with timeline merging, which consolidates redundant context and achieves a 1.5-10x training speedup. Finally, AgentJet introduces an automated research system that takes a research topic as input and autonomously conducts long-horizon, multi-day RL studies on large-scale clusters. By leveraging the swarm architecture, this system reproduces key exploratory workflows of RL researchers without human intervention during execution.
Authors: Daniel Zhao
Abstract: Watermarking methods for language models have been studied extensively in the autoregressive setting, where tokens are generated sequentially. These works largely focus on local-context schemes that perturb the next token's distribution as a function of its preceding tokens. In diffusion language models, distributions over many unresolved positions are jointly sampled, allowing additive statistics of the entire sequence to be tractable during generation. We propose a watermark for masked diffusion language models that controls a global, vector-valued sketch representation of the text. Compared to context-dependent watermarking, the sketch formulation decouples detection from the local contexts seen during generation, resulting in an order-agnostic statistic and a watermarking rule which does not manifest as a simple token bias. We analyze the distortion, soundness, and robustness properties of the method.
Authors: Yuhua Huang, Hsiao-Ying Lu, Kwan-Liu Ma
Abstract: Cancer care requires a longitudinal approach in which treatments are planned and delivered over time according to the needs of each individual patient. While prior research has thoroughly explored how clinical and demographic factors, such as comorbidities and age, inform treatment planning, far less attention has been devoted to the delivery phase of care. Yet planning and delivery are both team-based processes that depend on coordinated efforts among multiple healthcare professionals (HCPs). As such, the human factors embedded in these collaborative practices are crucial to optimizing patient outcomes. Despite this importance, the existing literature on human factors in cancer care is limited, and very few studies have investigated how collaboration within care teams evolves over the course of treatment. To fill this gap, this work examine how HCPs' collaboration, captured through electronic health record (EHR) systems, affects cancer patient outcomes, with particular emphasis on teamwork dynamics. We represent EHR-mediated HCP interactions as networks and apply machine learning methods to identify predictive signals of patient survival embedded in these collaborative structures. We further interpret model predictions by pinpointing network characteristics and dynamic patterns associated with particular outcomes. We evaluate our model through robustness analyses to ensure that the findings are stable and not driven by stochastic variation in training. Additionally, our insights align with hypotheses proposed in the medical literature, and our results provide the empirical, data-driven evidence supporting these claims. Overall, our work contributes a practical workflow for leveraging digital traces of collaboration to evaluate and strengthen longitudinal team-based healthcare, offering actionable insights to guide data-informed interventions in healthcare delivery.
Authors: Yaosheng Fu, Guangxuan Xiao, Xin Dong, Song Han, Oreste Villa
Abstract: Sparse attention reduces compute and memory bandwidth for long-context LLM inference. However, two key challenges remain: (1) KV cache capacity still grows with sequence length, and offloading to CPU memory introduces a PCIe transfer bottleneck; (2) the sparse selection step itself retains $O(T^2)$ complexity and can dominate attention cost at long contexts. We propose SparDA, a decoupled sparse attention architecture that introduces a fourth per-layer projection, the Forecast, alongside Query, Key, and Value. The Forecast predicts the KV blocks needed by the next layer, enabling lookahead selection that overlaps CPU-to-GPU prefetch with current-layer execution. Because Forecast is decoupled from the attention query, our GQA implementation uses one Forecast head per GQA group, reducing selection overhead versus the original multi-head selector. SparDA adds $<$0.5% parameters and trains only the Forecast projections by matching the original selector's attention distribution. On two sparse-pretrained 8B models, SparDA matches or slightly improves accuracy and delivers up to 1.25$\times$ prefill speedup and 1.7$\times$ decode speedup over the sparse-attention offload baseline. By enabling larger feasible batch sizes on a single GPU, SparDA further reaches up to 5.3$\times$ higher decode throughput than the non-offload sparse baseline. Our source code is available at https://github.com/NVlabs/SparDA.
Authors: Dimitris Dimitropoulos, Nikos Mamoulis
Abstract: Approximate nearest neighbor (ANN) search has become a core primitive in information retrieval and modern machine learning tasks, from classification to retrieval-augmented generation. The community evaluates and tunes ANN algorithms primarily on their throughput at a given Recall@k, the fraction of true exact neighbors retrieved. We argue that what really matters in ANN search is the quality of the retrieved results and not their overlap with the true kNN set. We show that using Recall@k to assess retrieval quality forces unnecessary computational overhead and investigate replacing it by 1/Ratio@k, the inverse approximation ratio. 1/Ratio@k evaluates the differences between the distances of the retrieved and true neighbors. It is judge-free, hyperparameter-free, and computable from standard ANN benchmark inputs alone. We benchmark state-of-the-art ANN algorithms across diverse datasets spanning a wide range of intrinsic dimensionalities, evaluating the two metrics comprehensively across efficiency, downstream classification, and retrieval-augmented generation. On the efficiency axis, optimizing for 1/Ratio@k reaches operational quality thresholds at a substantially lower computational cost than Recall@k. In downstream tasks, performance indicators (label precision, semantic similarity, BERTScore, and LLM-graded quality) remain highly stable even when Recall@k drops significantly. The inverse approximation ratio, on the other hand, closely mirrors this stability, tracking true utility much better than Recall@k. Ultimately, while Recall@k overstates the true cost of approximation, 1/Ratio@k offers a more accurate, deployable proxy for actual ANN quality.
Authors: Daria Ledneva, Mikhail Nuridinov, Denis Kuznetsov
Abstract: Progress in genomic foundation models is difficult to assess due to fragmented benchmarks, incompatible evaluation protocols, and task-specific reporting. As a result, claims of superiority or generality across models are often not directly comparable. We introduce GENEB, a large-scale diagnostic benchmark that evaluates frozen representations from 40 genomic foundation models across 100 tasks spanning 13 functional categories under a unified probing-based protocol, including few-shot regimes. GENEB enables controlled comparison across model scale, architecture, tokenization, and pretraining data while explicitly exposing task-level trade-offs. Our analysis shows that aggregate leaderboards are unstable: model rankings vary sharply across task categories, scale provides only modest and inconsistent gains, and architectural and pretraining alignment frequently outweigh parameter count. These results highlight limitations of current evaluation practices and position GENEB as a reference framework for principled comparison and category-aware model selection in genomic machine learning.
Authors: Momchil Hardalov, Gonzalo Iglesias, Adri\`a de Gispert
Abstract: Large Language Models can reason over long contexts, yet prefilling millions of tokens is wasteful as much of the content remains static across queries. Cartridges address this by distilling document collections into reusable key-value (KV) caches that eliminate prefilling while preserving accuracy. A critical limitation of this approach is that cartridges are monolithic and non-compositional: encoding an entire collection into a single KV block does not scale, and naively mixing cartridges trained in isolation collapses performance to near chance. We introduce Cartridges at Scale (CAS), a training framework for scalable multi-cartridge learning with dynamic distractor mixing and a memory-efficient budget manager that rotates hundreds of per-document cartridges between GPU and persistent storage. Our approach scales to collections exceeding a million tokens, improving over a monolithic cartridge by 10-31 points at comparable token budgets. Oracle cartridge accuracy falls within 2-6 points of full in-context learning even at high compression. When paired with retrieval for cartridge selection, CAS matches or exceeds conventional RAG accuracy while consuming 3-4x fewer prompt tokens.
Authors: Janani Venugopalan, Gaurav Deshkar, Rishabh Gaur, Harshal Hayatnagarkar, Jayanta Kshirsagar
Abstract: Purpose The WHO's COVID-19 non-pharmaceutical interventions (e.g., lockdowns, vaccinations) effectively curb transmission but impose heavy economic strains. Existing research often neglects individual behaviors and falsely assumes perfect infection tracking and flawless policy execution, failing to account for real-world uncertainties and errors. Methods We propose an integrative approach incorporating uncertainties in both epidemic measurement (infections/hospitalizations) and policy implementation. We built a simulation model of 1,000 individuals making real-time choices regarding mask-wearing, vaccination, and shopping. Concurrently, policymakers deploy interventions (lockdowns, mandates) based on health and economic observations. This framework is driven by hierarchical reinforcement learning agents, utilizing deep Q-networks alongside uncertainty-aware policy gradient variants (DDPG and TD3). Results The simulations effectively managed the epidemic's progression. Masking and vaccinations proved highly effective, significantly reducing both the outbreak's peak height and duration. By integrating individual behaviors, policy uncertainties, and multifaceted interventions, our dynamic control approach successfully mitigated the epidemic's impact. Conclusions Our model overcomes previous research limitations by embedding uncertainty and human behavior into public health policy frameworks. The simulation demonstrates that accounting for individual choices and imperfect data is crucial for designing effective interventions during complex pandemics, with masks and vaccines serving as pivotal tools.
Authors: Yichi Zhang, Ke Zhu, Zhoufan Zhu
Abstract: Learning Value-at-Risk (VaR) and Expected Shortfall (ES) is important for managing financial risks effectively. Existing approaches with limited parameters are vulnerable to model misspecification in the era of big data. To address this limitation, we propose a large tail risk model, the retrieval-enhanced self-grouping autoencoder (ReSGA), which is designed with millions of parameters to exploit the rich cross-sectional dependence and long-term temporal dynamics of assets using their characteristics. Applied to monthly US equity returns from 1926 to 2023 with 153 firm characteristics, ReSGA outperforms twelve econometric and machine learning competitors in terms of out-of-sample loss and statistical backtesting. In addition, its forecast advantages can translate into significant economic gains from long-short decile portfolios that are constructed by a new size-enhanced left-side momentum strategy. To clarify the role of complexity, we further conduct a systematic scaling analysis and demonstrate that improvements in joint VaR-ES forecasting are primarily driven by data complexity rather than model complexity. Finally, our analyses of group-importance and transfer-learning exhibit the interpretability and cross-market generalizability of ReSGA.
Authors: Monika Stipsitz, H\`elios Sanchis-Alepuz, Jacob Reynvaan, Silvester Sabathiel
Abstract: Real-time monitoring of the temperature distribution within components and sub-structures is a challenging topic in many systems due to restrictions on feasible sensor locations. While machine learning (ML) proves a versatile tool in many applications, its adoption for high-resolution thermal monitoring is hindered by the availability of high-quality datasets for training. In this work, we propose a novel approach for generating datasets for industrial applications based on randomized physics-based simulations. We demonstrate the approach in a proof-of-concept hardware setup: A neural network (NN) trained only on such a synthetic dataset, is used to reconstruct the internal temperature field from sparse sensors embedded in the hardware. The NN-based reconstructions do not only outperform Kriging in robustness but also enable real-time inference, making the method suitable for online monitoring of otherwise unobservable thermal states.
Authors: Olivier Jeunen
Abstract: Approximate Nearest Neighbour search indices form the backbone of real-world recommender systems, enabling real-time candidate retrieval over million-item catalogues. Typically, a single point estimate embedding is learnt for every user and every item. At serving time, the user embedding queries the index for relevant items. Since these representations are learnt from sparse interaction data, they are noisy and might fail to capture all the nuances that contribute to ``relevance'' -- ignoring the fundamental uncertainty that is inherent to them. The result is a retrieval pipeline that is systematically biased toward the small minority of popular head items with well-estimated embeddings, at the expense of the long-tail majority of niche, diverse, and serendipitous content. We propose DINOSAUR (Distributional Approximate Nearest Neighbour Search for Uncertainty-Aware Retrieval): a simple and infrastructure-compatible framework to incorporate embedding uncertainty into candidate generation. Rather than indexing point estimates, DINOSAUR samples $S_i$ embeddings per item and constructs an index on this augmented set. Analogously, at query time, a user embedding is sampled. This two-sided stochastic retrieval process implicitly marginalises over embedding uncertainty, without requiring changes to model architecture or ANN index infrastructure. On the analytical side, we show that DINOSAUR recovers standard point-estimate retrieval as uncertainty vanishes, and we characterise how increased embedding variance expands the regions of latent space in which uncertain items are retrievable. Reproducible empirical observations align with these expectations, showing large coverage gains with small losses in offline recall.
Authors: Alessandro Gambetti, Qiwei Han, Cl\'audia Soares, Hong Shen
Abstract: Vision-Language Models (VLMs) struggle when applied to medical image-text data, yet the tools available to diagnose this failure remain limited. Existing representation alignment metrics are symmetric, collapsing both modalities into a single score and hiding which modality drives cross-modal degradation. We introduce the Spectral Alignment Score (SAS), an asymmetric metric that projects both modalities onto the principal eigenbasis of an anchor modality and computes eigenvalue-weighted per-eigenmode correlations, resulting in directional scores whose difference quantifies modality information imbalance. We embed SAS within a benchmarking framework evaluating 15 VLMs across natural and medical image-text datasets alongside 6 alignment metrics and bidirectional retrieval. Our experiments show that medical images retain richer structural information than their paired clinical reports, a directional asymmetry invisible to all competing metrics, and that SAS achieves the strongest zero-label correlation with retrieval performance in the medical domain, positioning it as a practical diagnostic tool for clinical deployment. Code is available at this URL: https://github.com/iamalegambetti/medical-vlms-assessment.
URLs: https://github.com/iamalegambetti/medical-vlms-assessment.
Authors: Alexander Hagg, Tania Guerrero, Dirk Reith
Abstract: Optimizing urban layouts for climate adaptation requires balancing building density with cold-air ventilation. Because physics-based climate simulations are computationally expensive, planners typically evaluate fewer than ten manual designs. \gls{qd} algorithms offer a way to systematically illuminate the design space, but they require surrogate models to be practical. In this paper, we replace a slow, regulatory physics simulator with a spatial deep-learning surrogate (U-Net) inside an offline MAP-Elites loop. We systematically compare this spatial approach with a traditional \gls{gp} surrogate across different training-data strategies (quasi-random Sobol sampling vs.\ active \gls{qd} bootstrapping). Our results reveal that scalar \gls{gp} surrogates fail catastrophically when trained on random samples, requiring expensive, actively generated \gls{qd} archives to generalize. In contrast, the spatial inductive bias of the U-Net allows it to learn the underlying physics mapping robustly ($R^2 = 0.996$), completely independent of the training data source. This allows offline \gls{qd} optimization to achieve highly accurate fitness rankings ($\rho = 0.994$) using only a one-time batch of random training samples. The resulting pipeline, deployed in the open-source OpenSKIZZE tool, generates thousands of diverse, climate-evaluated building layouts in under ten minutes.
Authors: Shanu Kumar, Shubhanshu Khandelwal, Akhila Yesantarao Venkata, Parag Agrawal, Yova Kementchedjhieva, Manish Gupta
Abstract: Prompts tuned for accuracy often grow long, raising inference cost on every model call. The best accuracy-cost trade-off depends on the task and the budget, so prompt optimization is a search over the Pareto front of accuracy and prompt-token cost rather than for one prompt. The usual shortcut, collapsing the objectives into a weighted sum, fixes the trade-off weight before search and often recovers only a narrow region of the front, a failure we call scalarization collapse. We present CRAFT (Cost-aware Refinement And Front-aware Tuning), a Pareto-front prompt optimizer that treats target-LLM validation calls as the scarce resource and allocates them to candidates near the optimistic candidate front. Each round, complementary accuracy-oriented and cost-oriented generators propose edits, Pareto-gap acquisition spends the per-round validation budget, and NSGA-II retention keeps a spread-out population. Across six classification and reasoning benchmarks, CRAFT's retained fronts reach both high-accuracy and low-cost regions, while accuracy-only, cost-only, and weighted-sum baselines each concentrate in narrower regions. The accuracy-cost trade-off becomes a post-search choice, not a pre-search weight.
Authors: Gleb Beliakov
Abstract: This paper presents a method of multivariate scattered data interpolation and approximation that produces optimal Lipschitz-continuous approximation, subject to the desired monotonicity constraints. This method relies on tight upper and lower approximations to the data, and is similar in its spirit to the nearest-neighbour approximation but does not suffer from discontinuities. Local Lipschitz interpolation and Lipschitz smoothing are also presented. This approach falls under the umbrella of instance-based approximation with no training phase, and it is suitable for GPU-based parallelisation. A Python GPU-friendly package LipFit which implements the methods discussed is discussed.
Authors: Prerana Ramkumar, Nouhaila Innan, Muhammad Shafique
Abstract: Scene Graph Generation (SGG) requires relational reasoning over objects and their interactions, but performance is often limited by severe long-tail predicate imbalance. Classical SGG models frequently rely on dataset statistics, leading to biased predictions toward frequent relations rather than fine-grained semantic predicates. Although existing debiasing strategies improve mean recall, predicate classification in current frameworks still often depends on large classical decision modules with high parameter cost. This work introduces a hybrid quantum predicate classifier for SGG by replacing the classical predicate head in Causal Feature Enhancement Network (CFEN) with a Quantum Predicate Head (QP-Head) trained using weighted cross-entropy. To the best of our knowledge, this is among the first studies to evaluate a hybrid quantum architecture for scene graph predicate classification on Visual Genome 150. We study the effect of qubit count, encoding strategy, entangling structure, and circuit depth on relational prediction. The best 4-qubit QP-Head uses Amplitude Embedding and Strongly Entangling Layers to compress 4096-dimensional pair features into a 16-dimensional quantum-compatible representation, corresponding to a 256$\times$ reduction. It achieves an mR@100 of 57.25%, compared with 41.1% for the classical CFEN reference, while using only 96 trainable quantum parameters. Scaling to 8 qubits maintains strong long-tail performance, reaching an mR@100 of 55.38% with 384 quantum parameters, while the depth analysis shows a trade-off between expressibility and runtime overhead. These results suggest that compact hybrid quantum predicate heads can support parameter-efficient long-tail relational classification in complex visual reasoning tasks.
Authors: Jingwen Chen, Wenkai Yang, Shengda Fan, Wenbo Nie, Chenxing Sun, Shaodong Zheng, Yangen Hu, Lu Pan, Ke Zeng, Yankai Lin
Abstract: Experience internalization converts contextual experience from past interactions into reusable parametric capability, offering a promising path toward continual learning in large language models (LLMs). While prior work has predominantly focused on single-iteration transfer, we discover that under multi-iteration experience learning, existing methods suffer from a progressive capability collapse rather than compounding improvement. We systematically examine this failure through three vital dimensions of experience internalization: (1) Experience Granularity: We find that principle-level experience is more durable than instance-level experience, as it effectively abstracts transferable strategies away from trajectory-specific details. (2) Experience Injection Pattern: Our analysis reveals that step-wise injection significantly outperforms global injection by aligning experience with intermediate decision states, a property that is critical for long-horizon tool use. (3) Internalization Regime: We demonstrate that off-policy context-distillation on high-quality teacher trajectories provides a substantially more stable training signal than on-policy context-distillation, which is inherently limited by local corrections on student-induced flawed states. Together, these insights yield a simple yet robust recipe for stable and sustainable experience internalization, providing concrete guidance for engineering self-evolving and continually learning LLMs.
Authors: Soyeong Jeong, Jinheon Baek, Minki Kang, Sung Ju Hwang
Abstract: Agents are widely deployed as assistants over documents, tools, and code. However, they typically act only on explicit user requests, which surface only the problems the user has noticed, while many other important problems coexist, hidden in plain sight, within the broader user context, with their total number unknown in advance. We frame this as the task of discovering multiple hidden problems from context, in which coexisting problems should be uncovered, grounded in supporting evidence, and paired with concrete actions. To this end, we introduce TIDE, a template-guided iterative framework with two complementary mechanisms. Specifically, motivated by the observation that single-pass prediction anchors on the most salient cases and yields generic claims, we propose iterative discovery, which surfaces a small batch of candidates per round while conditioning on what has already been found, so subsequent rounds extend coverage; and thought templates, reusable schemas distilled from previously solved cases that specify what contextual signals to attend to and how to connect them, anchoring each prediction in a recognizable problem class. We validate TIDE on two realistic settings, personal workspaces and software repositories, across four model backbones, showing substantial gains over single-shot and parallel multi-agent baselines on task coverage, identification, and resolution.
Authors: Guopeng Li, Moritz A. Zanger, Matthijs T. J. Spaan, Julian F. P. Kooij
Abstract: Safe robot control requires maximizing return while satisfying safety constraints. In off-policy safe reinforcement learning, reward and safety Q-values are commonly learned by separate critic ensembles, with uncertainty handled independently for each objective. This objective-wise treatment neglects inter-objective correlation and can lead to overly conservative value estimates, thereby reducing sample efficiency. To address this issue, we propose Cholesky-Ordered Projection Q-learning (COP-Q), a safety-first method that incorporates inter-objective covariance into vector-valued Q-value estimation. COP-Q constructs a generalized confidence bound in the joint Q-value space and uses Cholesky factorization to encode objective priority in a sequential form. This preserves conservatism on safety while adaptively reducing excessive conservatism on the reward objective. The resulting estimate is used in both temporal-difference target computation and actor optimization. COP-Q incurs minimal computational overhead and is readily compatible with most existing deep Q-learning frameworks. Experiments on robot locomotion in Brax and safe navigation in Safety-Gymnasium, covering both hard- and soft-safety settings, demonstrate that COP-Q achieves strong safety performance together with competitive or improved sample efficiency relative to representative baselines.
Authors: Ajay Vishwanath, Christian Omlin
Abstract: Instilling virtuous behavior in artificial intelligence has seen increasing interest. One of the techniques proposed is known as affinity-based reinforcement learning, which uses policy regularization on the objective function to incentivize virtuous actions without being fully dependent on the reward function design. Thus far, this technique has been demonstrated to be effective in grid worlds and toy-problem environments with minimal state and action spaces. To expand this research to more sophisticated environments, we introduce a two-player multi-agent environment based on the role-playing board game known as Fog of Love. In this environment, two agents compete to fulfill their individual virtues, while also cooperating to satisfy their relationship. Given the multi-agent nature, this is a complex problem where multi-agent deep deterministic policy gradient agents neither compete nor cooperate successfully. We present evidence that localized affinities enhance agent performance in achieving both competitive and cooperative objectives, resulting from superior overall scores in both domains. This not only results in virtuous choices but also clarifies an agent's teleology and makes its behavior human-level interpretable.
Authors: Nitai Kluger, Amit Attia, Tomer Koren
Abstract: We study decentralized stochastic smooth convex optimization, where $M$ workers minimize an average objective using local stochastic gradients and neighbor-only communication over a fixed gossip network. A central question in this setting is to determine the largest number of workers that can be used under a total budget of $N$ gradient samples while still preserving the centralized $O(1/\sqrt N)$ statistical rate. We introduce an accelerated decentralized method that preserves this rate for up to $\smash{M\lesssim \sqrt{\rho}\,N^{3/4}}$ workers, where $\rho$ is the spectral gap of the gossip network, improving the best prior maximal scaling of $\smash{M\lesssim \rho\sqrt N}$. The method is based on a one-step-delayed stochastic acceleration scheme that enables workers to interleave minibatching with accelerated gossip while controlling residual disagreement, and its guarantee depends only logarithmically on the optimum-local heterogeneity. We also establish a matching lower bound for linear-span decentralized first-order methods, showing that the method is optimal up to logarithmic factors.
Authors: Kyungmin Park, Taesup Kim
Abstract: Safety-aligned Large Language Models (LLMs) remain vulnerable to interventions during inference that redirect generation toward harmful outputs. Recent work attributes this to shallow safety, where alignment concentrates in the first few output tokens. We show that shallow safety is a special case of a broader inference-time vulnerability, in which short token injections at any generation step can substantially alter subsequent safety behavior. We also find that a model's alignment with refusal directions in its hidden states does not predict its robustness to such injection, revealing that internal state alone does not determine generation behavior under perturbation. To address this, we align models directly on generation trajectories constructed by simulating mid-sequence perturbation, and show that this improves robustness to mid-sequence injection and generalizes to attacks that exploit early-token generation. Our work argues that robust safety alignment requires training on the generation process itself, not only its outputs.
Authors: Zachary Blumenfeld, Jim Webber
Abstract: Agent Skills today consist largely of free-form prose requiring the agent to read, interpret, and re-derive how to act in every session. This imposes two compounding costs: reduced reliability on implementation-heavy tasks, and difficulty in skill creation and improvement, since editing prose is a fragile process that both humans and agents struggle with, particularly for domain-specific procedural knowledge underrepresented in model training. The Agent Instruction Protocol (AIP) addresses both by modeling a skill as a directed execution graph: discrete steps as nodes backed by deterministic scripts or natural-language descriptions, connected by explicit typed input/output edges, and governed by a schema-validated YAML specification. A compiler meta-skill translates existing human-written skills into this form. The benefits are twofold. First, compiling human-written skills to AIP raised Claude Sonnet's mean task reward from 0.60 to 0.71 and pass rate from 53% to 67% across 27 real agent tasks from SkillsBench - a statistically significant gain (Wilcoxon signed-rank p = 0.011), winning 12 tasks to 2 with 13 ties - often in less wall-clock time. The graph delivers vetted, runnable units to the agent rather than asking it to re-derive code, commands, and tool calls from natural language. Second, on creation and improvement, because each skill is schema-validated, functionally testable, and addressable node-by-node, failures can be diagnosed and repaired precisely. Two authored-skill failures were traced to the script level. After adjusting the AIP spec and recompiling, both recovered with zero regressions (one task going from 0/5 to 5/5), turning skill improvement into a measurable tuning loop rather than a prose rewrite. That same graph structure supports corpus-level governance and skill introspection, and provides a natural action space for reinforcement learning over skills.
Authors: Jiahua Dong, Wenqi Liang, Hongliu Li, Yang Cong, Duzhen Zhang, Hanbin Zhao, Henghui Ding, Yulun Zhang, Salman Khan, Fahad Shahbaz Khan
Abstract: Custom diffusion models (CDMs) have garnered significant interest owing to their remarkable capacity for generating personalized concepts. However, the majority of CDMs unrealistically presume that the user's collection of personalized concepts is static and incapable of incremental growth over time. Furthermore, they exhibit significant catastrophic forgetting and concept neglect of previously learned concepts when incrementally learning a sequence of new ones. To resolve the above challenges, we develop a novel Continually Customizable Diffusion Model (CCDM), enabling users to perform concept-incremental versatile customization. Specifically, we design an attribute-decoupled LoRA (AD-LoRA) module and a relevance-guided AD-LoRA aggregation strategy to mitigate catastrophic forgetting. They can preserve concept-specific attributes of each task and leverage beneficial inter-task correlations to enhance the continual learning of new customization tasks. Additionally, to address the challenge of concept neglect, we propose a controllable regional context synthesis strategy that performs multi-concept composition in alignment with user-provided conditions. This strategy enhances the overall consistency in multi-concept synthesis by guaranteeing semantic independence between user-defined regions and their smooth boundary transitions. Experiments show our CCDM exhibits significant improvements over baseline methods.
Authors: Saket Reddy, Ke Yang, ChengXiang Zhai
Abstract: Mitigating social bias in Large Language Models (LLMs) presents a distinct alignment challenge: unlike verifiable tasks, bias lacks a single ground truth, creating a high-variance, subjective reward landscape. Previous preference-based fine-tuning methods have major trade-offs: Direct Preference Optimization (DPO) is limited by the lack of exploration inherent in offline training, while Proximal Policy Optimization (PPO) can lead to training instability due to potentially unreliable critic estimates. In this paper, we propose BiasGRPO, a framework using Group Relative Policy Optimization (GRPO) to stabilize alignment by normalizing rewards across a group of sampled completions. By substituting the value function with a group-relative baseline, our approach reduces instability while maintaining the exploration benefits of online training. We find that BiasGRPO outperforms DPO and PPO across multiple benchmarks, indicating its effectiveness. To adapt GRPO, we synthetically extend a dataset spanning multiple domains and contexts. We also create and release a custom bias reward model that effectively guides generation while being highly compute-efficient and avoiding knowledge degradation, providing a valuable resource that can be seamlessly integrated into multi-objective RLHF pipelines.
Authors: Xizi Luo, Changhong He, Dongdong Geng, Chenggong Shi, Yu Mei
Abstract: Large language models (LLMs) increasingly translate natural-language optimization problems into executable solver code. Yet for constraint-dense operations research (OR) problems, existing data-filtering and training pipelines largely rely on objective-equivalence signals such as differential testing and answer agreement, which a program can pass while adding spurious constraints or silently omitting required ones, whenever those constraints are non-binding on the tested instance. We propose constraint injection, which uses feasible probes to expose spurious over-constraint and one-constraint-violating probes to reveal silent constraint omission. Combined with differential testing, it forms a dual verifier. We instantiate and evaluate it on vehicle routing problems (VRPs), a representative constraint-dense combinatorial optimization testbed with coupled operational constraints. We develop VRPCoder, an 8B end-to-end model that translates natural-language VRP scenarios into Gurobi scripts, together with an expert-verified VRP benchmark suite covering 21 variants. The verifier is reused as a rejection-sampling filter during data synthesis and as a per-rollout reward in group relative policy optimization (GRPO). Across four VRP benchmarks, VRPCoder-GRPO reaches 93\% average Pass@1, outperforms Gemini-3.1-Pro Preview on three benchmarks, exceeds Claude-Sonnet-4.5 by 28 average points, and surpasses prior OR-LLMs by 78 average points.
Authors: Tobias Christian Nauen, Stanislav Frolov, Federico Raue, Brian B. Moser, Andreas Dengel
Abstract: CutMix has become the de facto standard mixing augmentation, yet its label assignment rests on a flawed assumption: The area of the pasted patch faithfully reflects its semantic contribution to the mixed image. In practice, however, patches frequently land on background regions, assigning label credit to classes whose objects are not visible. The mean discrepancy of the CutMix label and the semantic object area is $21.5\%$. In $17\%$ of samples an image contributes zero visible object pixels yet receives nonzero label weight. We propose Object-Aware CutMix (OA-CutMix), which corrects this bias by replacing the area-based CutMix weight with one derived from precomputed segmentation masks, assigning labels in proportion to the visible object area each image contributes to the mix. The image mixing procedure is left entirely unchanged. We evaluate OA-CutMix against 10+ static and dynamic mixing methods across 4 architectures and 6 datasets. OA-CutMix consistently achieves the highest accuracy over all tasks, outperforming even dynamic mixing methods, but at a fraction of the training-time cost. Improvements are largest for small objects, where the label bias from CutMix is greatest. Thus, correcting the label is sufficient to match or exceed the performance of methods modifying the image mixing algorithm.
Authors: Chon Wai Ho, Sumeetpal S. Singh, Jiaqi Guo
Abstract: Sequential decision-making problems are often modelled as a Markov decision process (MDP). We focus on the stochastic shortest path (SSP) problem, which is an infinite-horizon undiscounted MDP with absorbing terminal states. We develop a Bayesian framework to learn the optimal decision strategy through interactions with the decision-making task. Specifically, we learn the optimal action-value function $Q^*$, but unlike many existing Bayesian approaches, we do not rely on unrealistic modelling assumptions and ad-hoc approximations. Our approach is to directly construct the posterior beliefs for $Q^*$ through Bellman's optimality equations. For deterministic rewards, we characterise the posterior as a distribution with a manifold density. To facilitate simpler inference, we relax the likelihood so that a Lebesgue density exists. The flip side is to create unidentifiability issues. Specifically, the relaxed posterior can have significant mass on improper decision rules, while the exact posterior will not. We also calculate the exact posterior probabilities for optimal action selections for the tabular parametrisation of $Q^*$, a Gaussian likelihood relaxation and a Gaussian prior, which is useful in benchmarking studies. Numerical studies on variants of the Deep Sea benchmark verify our findings. We demonstrate that our framework faithfully quantifies uncertainty and, compared to other temporal-difference-based Bayesian methodologies, is more data efficient. We conclude with recommendations for future work.
Authors: Kun Cheng, Songshuo Lu, Sicong Liao, Tankun Li, Yafei Zhang, Dong Yang, Qiheng Lv, Hua Wang, Zhi Chen, Yaohua Tang
Abstract: Native GPU kernel generation turns high-level tensor programs into executable, efficient low-level code. Existing Large Language Models (LLMs) struggle with this task, while execution-based reinforcement learning suffers from sparse rewards, reward hacking, and training instability. We present MusaCoder, a full-stack training framework for native GPU kernel generation on CUDA and MUSA backends. MusaCoder combines progressive kernel-oriented data synthesis, diversity-preserving rejection fine-tuning, and execution-feedback Reinforcement Learning (RL) through MooreEval, a distributed verifier and reward environment. To stabilize RL, MusaCoder introduces PrimeEcho for first-turn-anchored multi-turn rewards, Buffered Dynamic Retry for recovering signals from all-failed hard samples, and MirrorPop for off-policy sequence filtering. Experiments on KernelBench and a MUSA-ported variant show that MusaCoder outperforms strong open-source and proprietary baselines in both correctness and empirical speedup, with the 9B model matching or exceeding frontier closed-source models and the 27B model establishing a new state of the art. These results demonstrate not only the effectiveness of full-stack execution-feedback training for native kernel generation, but also the capability of Moore Threads GPUs to support the complete LLM post-training stack, providing a practical foundation for large-model training and optimization on emerging accelerators.
Authors: Tran Dinh Tien, Zhiqiang Shen
Abstract: Current prompt-based and adapter-based tuning of vision-language models (VLMs) is attractive for medical imaging, where clinical data sensitivity favors frozen backbones and annotations are limited. However, these methods typically optimize only the ground-truth class, treating all other classes as equally incorrect, ignoring clinically meaningful class relations and yielding unstable decision boundaries in limited-supervision settings. We propose Omni-Geometry Knowledge Distillation (OGKD), a new framework that injects class-relation structure into the teacher to produce directional targets that preserve the ground truth while respecting inter-class geometry. Using these targets, we develop two distillation losses: Global Geometry-Aware Distillation (GAD) operates on the global image token, and Label-Guided Geometry Distillation (LGD) applies the same geometry to attentive patch tokens to improve fine-grained alignment. Across comprehensive experiments and analyses on 11 widely-used medical datasets for base-to-novel and few-shot evaluations, our OGKD achieves substantially better performance, consistently improving accuracy by an average absolute gain of 1.7%-2.8% over all prior state-of-the-art VLM adaptation counterparts. It also robustly generalizes to unseen classes and yields more reliable predictions than other approaches. Our code is available at https://github.com/tientrandinh/OGKD.
Authors: Paul D\"utting, Federico Fusco, Silvio Lattanzi, Ashkan Norouzi-Fard, Ola Svensson, Morteza Zadimoghaddam
Abstract: Consistency is an important property in dynamic submodular maximization and entails maintaining a near-optimal solution at all times, making only a small number of adjustments to the solution in each step. Prior work has explored this question for the insertion-only case, where the algorithm faces a stream of $n$ insertions, and has established lower and upper bounds for the cardinality-constrained version of the problem. We consider this question in the fully dynamic setting, where the stream of operations may contain both insertions and deletions. We develop a general framework for designing algorithms for this setting, and instantiate it to obtain the first constant-factor approximations with sublinear consistency. For cardinality constraints, we propose a $\frac 12 - O(\varepsilon)$ approximation that is $O\left(\frac{1}{\varepsilon^2}\right)$ consistent. For rank-$k$ matroid constraints, we construct a $\frac 14 - O(\varepsilon)$ approximation to the dynamic optimum that is $O\left(\frac{\log k}{\varepsilon^2}\right)$ consistent.
Authors: Samuel Ndichu, Tao Ban, Seiichi Ozawa, Takeshi Takahashi, Daisuke Inoue
Abstract: System-generated logs underpin security monitoring, yet their rigid template-based format hinders both automated analysis and human comprehension. We present NLLog (Natural-Language Log), a lightweight pipeline that deterministically rewrites parsed templates into WHO-WHAT-SEVERITY sentences, pools them with term-frequency-inverse-document-frequency weighting, classifies sessions with tree ensembles, and back-projects evidence with TreeSHAP for analyst review. On Hadoop Distributed File System (HDFS) and Blue Gene/L (BGL) corpora, NLLog exceeds two reproduced matched-protocol baselines; across HDFS, BGL, and the AIT Alert Data Set, it sustains low false-positive rates with commodity-hardware latency suitable for security operations center triage. Coverage, sparse-versus-dense, faithfulness, and adversarial ablations show that fallback sufficiency is corpus-dependent, that an enrollment-time coverage check can surface refinement requirements before deployment, and that an auditable deterministic rewrite combined with lightweight dense encoding provides a measurable representation layer for log-anomaly detection and triage.
Authors: Ali Mjalled, Martin M\"onnigmann
Abstract: We present in this paper a framework for the identification of control-affine reduced-order models (ROMs). The proposed method utilizes autoencoders (AEs) to transform the high-dimensional states, and potentially the high-dimensional inputs, into reduced latent ones suitable for control-affine state-space dynamics. This is achieved by simultaneous training of the AE and the state-space model. In addition, we extend the discrete ROM formulation to a sequence-based model, which processes state and input histories to improve prediction accuracy while preserving the control-affine structure. We motivate our framework by applying feedback linearization to the derived models, and we present guidelines for its efficient use. The proposed framework is assessed on two numerical examples and its performance is compared to a baseline model, where the AE identifies a latent space with linear state-space dynamics. The assessment involves evaluating the prediction accuracy of the ROM on test data and its effectiveness in controlling the system to a desired state or trajectory.
Authors: Minh An Pham, Anton Segeler, Thomas Wiegand, Wojciech Samek, Sebastian Lapuschkin, Patrick Kahardipraja, Reduan Achtibat
Abstract: Function vectors (FVs) are task representations elicited during in-context learning that can be used to steer Large Language Models (LLMs). However, design choices in their formulation remain underexplored. In this work, we study the impact of varying FV definitions for instructions along two degrees of freedom: attention head selection and steering. For head selection, using gradient-based attributions with Layer-wise Relevance Propagation (LRP) substantially improves efficiency as well as accuracy. For FV steering, applying it in a distributed manner yields a higher accuracy compared to simple aggregation. Our code is publicly available.
Authors: Zhangchen Xu, Junda Chen, Yue Huang, Dongfu Jiang, Jiefeng Chen, Hang Hua, Zijian Wu, Zheyuan Liu, Zexue He, Lichi Li, Shizhe Diao, Jiaxin Pei, Jinsung Yoon, Hao Zhang, Mengdi Wang, Radha Poovendran, Misha Sra, Alex Pentland, Zichen Chen
Abstract: Scientific and engineering progress is fundamentally a long-horizon iterative process: proposing changes, running experiments, measuring outcomes, and continuously refining artifacts. Yet existing benchmarks for frontier models primarily evaluate either single-turn responses or short-horizon agent trajectories, failing to capture the challenges of sustained iterative improvement over extended time horizons. To address this gap, we introduce AutoLab, a new benchmark for ultra long-horizon closed-loop optimization. AutoLab consists of 36 realistic, expert-curated tasks spanning four diverse domains: system optimization, puzzle & challenge, model development, and CUDA kernel optimization. Each task begins with a correct but deliberately suboptimal baseline and challenges agents to improve it within a strict wall-clock budget. Evaluating 17 state-of-the-art models reveals the dominant predictor of success is not the quality of an agent's initial attempt, but its persistence in repeatedly benchmarking, editing, and incorporating empirical feedback. While claude-opus-4.6 exhibits strong long-horizon optimization capabilities, most frontier models, including several proprietary ones, either terminate prematurely or exhaust their budgets with minimal progress. These results underscore the importance of time awareness and persistent iteration in autonomous agents. We open-source the full benchmark, evaluation harness, and task artifacts, to accelerate research toward truly capable long-horizon agents.
Authors: Sepehr Dehdashtian, Jacob H Seidman, Vishnu N Boddeti, Gaurav Bharaj
Abstract: Audio deepfake detection (ADD) models are critical for countering the malicious use of text-to-speech (TTS) models. Evaluating and strengthening ADD models requires developing datasets that span the space of generated audio and highlight high-error regions. Existing dataset development strategies face two challenges: (i) manual collection, and (ii) inefficient discovery of blind spots in the ADD models. To address these challenges, we propose FoeGlass, the first black-box automated red-teaming method for ADDs, which effectively discovers ADD failure modes in the space of generated audio underexplored by state-of-the-art deepfake benchmarks. FoeGlass uses the in-context learning capabilities of an LLM to explore the input space of a TTS model, generating audio samples that fool the target ADD using only black-box access to all components. By using a carefully designed context based on diversity measurements, FoeGlass mitigates the common problem of mode collapse in automated red-teaming systems. Empirical evaluations on several open-source ADD and TTS models demonstrate that data generated from FoeGlass substantially improves the false negative rates over unconditional sampling baselines and recent spoofing datasets by up to 94%, while requiring no manual supervision. Furthermore, we show that the attacks generated by FoeGlass are transferable across different target ADDs, demonstrating its broad applicability and ease of use for the automated red teaming of ADD systems. Finally, fine-tuning ADD models on FoeGlass-generated samples notably enhances the robustness of the detectors (up 41%).
Authors: Hongyu Zhou, Zorah L\"ahner
Abstract: After the success of 3D Gaussian Splatting (3DGS) for novel view synthesis, many works have explored how to also use it for geometric surface representation. However, extracting accurate geometric information directly from 3DGS remains challenging and can often reduce the appearance rendering quality. In this work, we show that 3DGS in its default form is inheritedly unsuited to represent texture and geometry at the same time, by training with complete ground-truth texture and geometry information. We also propose a simple solution by applying a single additional geometry opacity parameter to each splat, together with an optional transparency-curated optimization pipeline. Our experiments, both with ground-truth and vision foundation model geometric input, show that this change leads to improved rendering and geometry performance on a wide variety of dataset, and especially complex scenes with transparent objects benefit significantly from our method.
Authors: Jian Yang, Yuan Tong, Qinbin Li, Zeyi Wen, Xiaofang Zhou
Abstract: Preserving data privacy is an important topic in structural data management and data mining. However, the issue of privacy leakage in distributed causal structure learning is a persistent challenge, especially in cases where data transmission and computation are required. In this paper, we propose a method based on fully homomorphic encryption (FHE) that performs calculations on ciphertexts, keeping data encrypted in transition and computation. Nevertheless, adopting FHE to causal structure learning is challenging due to the high computation cost and limited support on division as well as logarithm operations in FHE. To tackle this challenge, we propose a series of novel techniques including (i) circuit simplification for better efficiency, (ii) approximation of division and logarithm through Newton-Raphson Reciprocal and Taylor expansion, and (iii) a batching technique with SIMD-acceleration to enhance the whole learning process. Additionally, our method can be easily extended beyond FHE by demonstration of its portability to support differential privacy. Empirical results show that our method achieves high consistency and comparable causal structure with the plaintext version in the datasets tested. Last, our method is efficient and practical to complete learning causal structures in tens of minutes even under the privacy protection of FHE.
Authors: Yaseen M. Osman, Geoff V. Merrett, Stuart E. Middleton
Abstract: Deep active learning has previously been explored for LLM in-context sample selection, but not with methods that utilise recent advances in understanding of transformer activations. In this paper, we test the hypothesis that model activations could provide a fine-grained signal to optimise the selection of in-context examples. We present the most comprehensive analysis to date of MLP activation-based deep active learning methods applied to in-context learning, including how different attention masking strategies impact active learning across diverse classification and generative datasets, using both Llama-3.2-3B and Qwen2.5-3B base models. However, we find a negative result: MLP outputs, viewed through the lenses of massive activations or the first four moments, do not correlate with example quality or task performance. Specifically, the absolute Spearman correlation coefficient is at most 0.33 for all tasks and models we tested, showing that such activation-based sampling should not be used for in-context learning. We hypothesise that this may be due to superposition, whereby models represent more features than they have dimensionality, suggesting that methods like Sparse Autoencoders (SAEs) may be a promising future direction.
Authors: Gandhimathi Padmanaban, Fred Feng
Abstract: Vehicle body type is a significant determinant of cyclist injury severity in overtaking crashes, yet automated tools for classifying vehicles into injury-risk-relevant categories from naturalistic roadway video do not exist in the open literature. Standard object detection benchmarks provide only coarse vehicle labels (car, truck, bus, motorcycle), while existing fine-grained recognition systems are trained on controlled imagery and lack evaluation for deployment robustness across recording sites. This paper presents an open-source two-stage computer vision pipeline combining a pre-trained RT-DETR detector for coarse vehicle localization with a fine-tuned Vision Transformer (ViT-Base/16) for six-category body-type classification: passenger car, SUV, pickup truck, minivan, large van, and commercial truck. A confidence-based abstention mechanism withholds Stage 2 predictions when softmax output falls below 0.60, producing unknown labels rather than silent misclassifications. Evaluated on 3,805 annotated overtaking events from a bicycle-lane corridor in Ann Arbor, Michigan (in-distribution), the pipeline achieved 0.94 accuracy with per-class F1 scores from 0.91 (minivan) to 0.97 (SUV). On an independent out-of-distribution evaluation of 311 events from an open cycling dataset without retraining, accuracy was 0.89. Three of four well-represented categories maintained F1 at or above 0.90 under domain shift. The largest degradation was observed for minivan (F1 = 0.72), driven by abstention rate rising from 2.4% to 25.0% rather than active misclassification, consistent with the mechanism propagating genuine model uncertainty. The full pipeline, including inference scripts, training code, evaluation utilities, and model weights, is released as open-source software to support reproducibility and reuse across roadside video archives and cycling safety research.
Authors: Jiayi Wang, Zhengling Qi, Chengchun Shi
Abstract: As AI becomes more prevalent throughout society, effective methods of integrating humans and AI systems that leverage their respective strengths and mitigate risk have become an important priority. In this paper, we introduce the paradigm of super policy learning that takes advantage of Human-AI interaction for data driven sequential decision making. This approach utilizes the observed action, either from AI or humans, as input for achieving a stronger oracle in policy learning for the decision maker (humans or AI). In the decision process with unmeasured confounding, the actions taken by past agents can offer valuable insights into undisclosed information. By including this information for the policy search in a novel and legitimate manner, the proposed super policy learning will yield a super-policy that is guaranteed to outperform both the standard optimal policy and the behavior one (e.g., past agents' actions). We call this stronger oracle a blessing from human-AI interaction. Furthermore, to address the issue of unmeasured confounding in finding super-policies using the batch data, a number of nonparametric and causal identifications are established under the framework of proximal causal inference. Building upon on these novel identification results, we develop several super-policy learning algorithms and systematically study their theoretical properties such as finite-sample regret guarantee. Finally, we illustrate the effectiveness of our proposal through extensive simulations and real-world applications.
Authors: Juan Zhong, Yuhang Shi, Zukang Xu, Xi Chen
Abstract: Transformer-based models are becoming a central paradigm in autonomous driving because they can capture long-range spatial dependencies, multi-agent interactions, and multimodal context across perception, prediction, and planning. At the same time, their deployment in real vehicles remains difficult because high-capacity attention-based architectures impose substantial latency, memory, and energy overhead. This survey reviews representative Transformer-based autonomous driving models and organizes them by task role, sensing configuration, and architectural design. More importantly, it examines these models from a deployment-oriented perspective and analyzes how efficiency constraints reshape model design choices in practice. We further review compression and acceleration strategies relevant to Transformer-based driving systems, including quantization, pruning, knowledge distillation, low-rank approximation, and efficient attention, and discuss their benefits, limitations, and task-dependent applicability. Rather than treating compression as an isolated post-processing step, we highlight it as a system-level design consideration that directly affects deployability, robustness, and safety. Finally, we identify open challenges and future research directions toward standardized, safety-aware, and hardware-conscious evaluation of efficient autonomous driving systems.
Authors: Matthew Lowery, John Turnage, Zachary Morrow, John D. Jakeman, Akil Narayan, Shandian Zhe, Varun Shankar
Abstract: This paper introduces the Kernel Neural Operator (KNO), a provably convergent operator-learning architecture that utilizes compositions of deep kernel-based integral operators for function-space approximation of operators (maps from functions to functions). The KNO decouples the choice of kernel from the numerical integration scheme (quadrature), thereby naturally allowing for operator learning with explicitly-chosen trainable kernels on irregular geometries. On irregular domains, this allows the KNO to utilize domain-specific quadrature rules. To help ameliorate the curse of dimensionality, we also leverage an efficient dimension-wise factorization algorithm on regular domains. More importantly, the ability to explicitly specify kernels also allows the use of highly expressive, non-stationary, neural anisotropic kernels whose parameters are computed by training neural networks. We present universal approximation theorems showing that both the continuous and fully discretized KNO are universal approximators on operator learning problems. Numerical results demonstrate that on existing benchmarks the training and test accuracy of KNOs is closely comparable to or higher than that of popular neural operators while typically using an order of magnitude fewer trainable parameters, with the more expressive kernels proving important to attaining high accuracy. KNOs thus facilitate low-memory, geometrically-flexible, deep operator learning, while retaining the implementation simplicity and transparency of traditional kernel methods from both scientific computing and machine learning.
Authors: Paul-Gauthier No\'e, Miquel Perell\'o-Nieto, Jean-Fran\c{c}ois Bonastre, Peter Flach
Abstract: Originating in game theory, Shapley values are widely used for explaining a machine learning model's prediction by quantifying the contribution of each feature's value to the prediction. This requires a scalar prediction as in binary classification, whereas a multiclass probabilistic prediction is a discrete probability distribution, living on a multidimensional simplex. In such a multiclass setting the Shapley values are typically computed separately on each class in a one-vs-rest manner, ignoring the compositional nature of the output distribution. In this paper, we introduce Shapley compositions as a well-founded way to properly explain a multiclass probabilistic prediction, using the Aitchison geometry from compositional data analysis. We prove that the Shapley composition is the unique quantity satisfying linearity, symmetry and efficiency on the Aitchison simplex, extending the corresponding axiomatic properties of the standard Shapley value. We demonstrate this proper multiclass treatment in a range of scenarios.
Authors: Ferhat Erata, Orr Paradise, Thanos Typaldos, Timos Antonopoulos, ThanhVu Nguyen, Shafi Goldwasser, Ruzica Piskac
Abstract: Randomized self-reductions (RSRs) express $f(x)$ using $f$ evaluated at random correlated points, enabling self-correcting programs, instance-hiding protocols, and applications in complexity theory and cryptography. Yet discovering RSRs has required manual expert derivation for over 40 years, limiting their practical use. We present Bitween for automated RSR learning. First, we formalize RSR learning with sample complexity analysis under correlated sampling. Second, we develop Vanilla Bitween, which integrates multiple backends (linear regression, genetic programming, symbolic regression, and mixed-integer programming). The linear regression backend outperforms the others, discovering RSRs for 43 of 80 functions (54%) in RSR-Bench, our benchmark suite, including the first known reduction for sigmoid. Third, we introduce Agentic Bitween, a neuro-symbolic approach where LLM agents propose novel query functions beyond the fixed set ($x+r$, $x-r$, $x \cdot r$, $x$, $r$) in prior work. Agentic Bitween discovers RSRs for 64 of 80 functions (80%), outperforming pure neural baselines in both RSR discovery and verification accuracy.
Authors: Marc Abeille, David Janz, Ciara Pike-Burke
Abstract: We provide an approach for the analysis of randomised exploration algorithms like Thompson sampling that does not rely on forced optimism or posterior inflation. With this, we demonstrate that in the $d$-dimensional linear bandit setting, when the action space is smooth and strongly convex, randomised exploration algorithms enjoy an $n$-step regret bound of the order $O(d\sqrt{n} \log(n))$. Notably, this shows for the first time that there exist non-trivial linear bandit settings where Thompson sampling can achieve optimal dimension dependence in the regret.
Authors: Hamza Cherkaoui, Malik Tiomoko, Giuseppe Paolo, Zhang Yili, Yu Meng, Zhang Keli, Hafiz Tiomoko Ali
Abstract: Time-series forecasting is a critical task in various business domains, but it remains inherently challenging. Typically, large forecasting models are trained in a single, resource-intensive run. Once training is completed, a natural question arises:~\emph{is there still potential for meaningful improvement in the model's performance?} Motivated by techniques from boosting, we introduce the concept of~\emph{post-training corrections}. This approach enhances a trained forecaster by sequentially applying a carefully selected set of corrections to its predictions. Our method offers a lightweight, model-agnostic, and scalable strategy to improve forecasting performance in practical settings. We provide theoretical foundations for the approach, starting with the affine correction case, and analyze the expected performance gains and computational costs in more general settings. Across a range of benchmark datasets, our method consistently delivers up to a $30\%$ improvement in forecasting accuracy over existing state-of-the-art models, with minimal computational overhead.
Authors: Frederik Baymler Mathiesen, Nikolaus Vertovec, Francesco Fabiano, Luca Laurenti, Alessandro Abate
Abstract: Neural networks hold great potential to act as approximate models of nonlinear dynamical systems, with the resulting neural approximations enabling verification and control of such systems. However, in safety-critical contexts, the use of neural approximations requires formal bounds on their closeness to the underlying system. To address this fundamental challenge, we propose a novel, adaptive, and parallelizable verification method based on certified first-order models. Our approach provides formal error bounds on the neural approximations of dynamical systems, allowing them to be safely employed as surrogates by interpreting the error bound as bounded disturbances acting on the approximated dynamics. We demonstrate the effectiveness and scalability of our method on a range of established benchmarks from the literature, showing that it significantly outperforms the state of the art. Furthermore, we show that our framework can successfully address additional scenarios previously intractable for existing methods -- neural network compression and an autoencoder-based deep learning architecture for training Koopman operators for the purpose of trajectory prediction.
Authors: Albert Tseng, Zhaofeng Sun, Christopher De Sa
Abstract: The goal of quantization is to produce a compressed model whose output distribution is as close to the original model's as possible. To do this tractably, most quantization algorithms minimize the immediate activation error of each layer as a proxy for the end-to-end error. However, this ignores the effect of future layers, making it a poor proxy. In this work, we introduce Yet Another Quantization Algorithm (YAQA), an adaptive rounding algorithm that directly considers the error at the network's output. YAQA introduces a series of theoretical results that culminate in the first end-to-end error bounds for quantization algorithms. First, we characterize the convergence time of adaptive rounding algorithms via the structure of their Hessian approximations. We then show that the end-to-end error can be bounded by the approximation's cosine similarity to the true Hessian. This admits a natural Kronecker-factored approximation with corresponding near-optimal Hessian sketches. YAQA is provably better than GPTQ/LDLQ and empirically reduces the error by $\approx 30\%$ over these methods. YAQA even achieves a lower error than quantization aware training. This translates to state of the art performance on downstream tasks, all while adding no inference overhead.
Authors: Youngmin Oh, Jinje Park, Taejin Paik
Abstract: We introduce the first variance-aware algorithms for contextual dueling bandits that leverage shallow exploration strategies with neural networks for nonlinear utility approximation. A key theoretical challenge is the absence of a closed-form estimator, which led prior work to require an extremely large network width $m$ (i.e., $m = \widetilde{\Omega}(T^{14})$). We address this constraint with a novel analytical approach that combines iterative self-improvement with spectral analysis. Our analysis significantly reduces the network width requirement to $m = \widetilde{\Omega}(T^{6})$, and shows that our algorithms achieve a sublinear regret of $\widetilde{\mathcal{O}}(d\sqrt{\sum_{t=1}^{T} \sigma_t^2} + \sqrt{dT})$ under both UCB and TS frameworks. Empirical results show that the proposed algorithms are not only computationally efficient and exhibit sublinear regret in practical settings, but also achieve state-of-the-art performance on both synthetic and real-world tasks.
Authors: Xu Zheng, Chaohao Lin, Sipeng Chen, Zhuomin Chen, Jimeng Shi, Jayantha Obeysekera, Jingchao Ni, Wei Cheng, Jason Liu, Dongsheng Luo
Abstract: Compound flooding, driven by nonlinear interactions between multiple hydrometeorological factors, poses a significant challenge to hazard prevention. Existing forecasting approaches, whether physics-based or data-driven, often emphasize temporal patterns while underexploring how multiple interacting factors jointly shape flood dynamics. To address this problem, we conduct a large-scale data-driven analysis of compound flooding in South Florida, a typical area for compound flooding, by integrating tidal conditions, rainfall, groundwater stage, and human water management activities. Our analysis reveals three key findings: (i) models that capture temporal dynamics alone fail to represent multi-factor interactions during compound events; (ii) subsurface saturation, as reflected by groundwater levels, emerges as a dominant predictor of flood severity, often outweighing immediate rainfall intensity in this porous coastal region; and (iii) the spatial state of surrounding monitoring stations within a finite effective radius provides critical causal context for flooding, while extending temporal history yields diminishing returns during extreme events. These findings suggest that compound flooding is governed more by spatially coupled system states than by long-term temporal dependencies, challenging rain-centric and sequence-dominated forecasting paradigms. By framing data-driven models as tools for scientific inquiry rather than prediction alone, this study offers new insights into the mechanisms of compound flooding and informs the design of more physically grounded early-warning systems for coastal environments. Our dataset and code are publicly available at https://github.com/AslanDing/SFBench.
Authors: Johannes von Oswald, Nino Scherrer, Seijin Kobayashi, Luca Versari, Songlin Yang, Sarthak Mittal, Maximilian Schlegel, Kaitlin Maile, Yanick Schimpf, Oliver Sieberling, Alexander Meulemans, Rif A. Saurous, Guillaume Lajoie, Charlotte Frenkel, Razvan Pascanu, Blaise Ag\"uera y Arcas, Jo\~ao Sacramento
Abstract: Sequence modeling is currently dominated by causal transformer architectures that use softmax self-attention. Although widely adopted, transformers require scaling memory and compute linearly during inference. A recent stream of work linearized the softmax operation, resulting in powerful recurrent neural network (RNN) models with constant memory and compute costs such as DeltaNet, Mamba or xLSTM. These models can be unified by noting that their recurrent layer dynamics can all be derived from an in-context regression objective, approximately optimized through an online learning rule. Here, we join this line of work and introduce a numerically stable, chunkwise parallelizable version of the recently proposed Mesa layer (von Oswald et al., 2024), which could only run sequentially in time and was therefore not scalable. This layer again stems from an in-context loss, but which is now minimized to optimality at every time point using a fast conjugate gradient solver. Through an extensive suite of experiments study up to the billion-parameter scale, we show that optimal test-time training enables reaching lower language modeling perplexity and higher downstream benchmark performance than previous RNNs, especially on tasks requiring long context understanding. This performance gain comes at the cost of additional flops spent during inference time. Our results are therefore intriguingly related to recent trends of increasing test-time compute to improve performance -- here by spending compute to solve sequential optimization problems within the neural network itself.
Authors: Alessandro Montenegro, Federico Mansutti, Marco Mussi, Matteo Papini, Alberto Maria Metelli
Abstract: Policy gradient (PG) methods are a class of effective reinforcement learning algorithms, particularly when dealing with continuous control problems. They rely on fresh on-policy data, making them sample-inefficient and requiring $O(\epsilon^{-2})$ trajectories to reach an $\epsilon$-approximate stationary point. A common strategy to improve efficiency is to reuse information from past iterations, such as previous gradients or trajectories, leading to off-policy PG methods. While gradient reuse has received substantial attention, leading to improved rates up to $O(\epsilon^{-3/2})$, the reuse of past trajectories, although intuitive, remains largely unexplored from a theoretical perspective. In this work, we provide the first rigorous theoretical evidence that reusing past off-policy trajectories can significantly accelerate PG convergence. We propose RT-PG (Reusing Trajectories - Policy Gradient), a novel algorithm that leverages a power mean-corrected multiple importance weighting estimator to effectively combine on-policy and off-policy data coming from the most recent $\omega$ iterations. Through a novel analysis, we prove that RT-PG achieves a sample complexity of $\tilde{O}(\epsilon^{-2}\omega^{-1})$. When reusing all available past trajectories, this leads to a rate of $\tilde{O}(\epsilon^{-1})$, the best known one in the literature for PG methods. We further validate our approach empirically, demonstrating its effectiveness against baselines with state-of-the-art rates.
Authors: Yitong Zhou, Yucong Luo, Mingyue Cheng, Qi Liu, Jiahao Wang, Daoyu Wang, Enhong Chen
Abstract: To advance time series forecasting (TSF), various methods have been proposed to improve prediction accuracy, evolving from statistical techniques to data-driven deep learning architectures. Despite their effectiveness, most existing methods still adhere to a fast thinking paradigm-relying on extracting historical patterns and mapping them to future values as their core modeling philosophy, lacking an explicit thinking process that incorporates intermediate time series reasoning. Meanwhile, emerging slow-thinking LLMs (e.g., OpenAI-o1) have shown remarkable multi-step reasoning capabilities, offering an alternative way to overcome these issues. However, prompt engineering alone presents several limitations - including high computational cost, privacy risks, and limited capacity for in-depth domain-specific time series reasoning. To address these limitations, a more promising approach is to train LLMs to develop slow thinking capabilities and acquire strong time series reasoning skills. For this purpose, we propose Time-R1, a two-stage reinforcement fine-tuning framework designed to enhance multi-step reasoning ability of LLMs for time series forecasting. Specifically, the first stage conducts supervised fine-tuning for warmup adaptation, while the second stage employs reinforcement learning to improve the model's generalization ability. Particularly, we design a fine-grained multi-objective reward specifically for time series forecasting, and then introduce GRIP (group-based relative importance for policy optimization), which leverages non-uniform sampling to further encourage and optimize the model's exploration of effective reasoning paths. Experiments demonstrate that Time-R1 significantly improves forecast performance across diverse datasets.
Authors: Yilun Kuang, Noah Amsel, Sanae Lotfi, Shikai Qiu, Andres Potapczynski, Andrew Gordon Wilson
Abstract: The core component of attention is the scoring function, which transforms the inputs into low-dimensional queries and keys and takes the dot product of each pair. While the low-dimensional projection improves efficiency, it causes information loss for certain tasks that have intrinsically high-dimensional inputs. Additionally, attention uses the same scoring function for all input pairs, without imposing a distance-dependent compute bias for neighboring tokens in the sequence. In this work, we address these shortcomings by proposing new scoring functions based on computationally efficient structured matrices with high ranks, including Block Tensor-Train (BTT) and contiguous Multi-Level Low Rank (MLR) matrices. On in-context regression tasks with high-dimensional inputs, our proposed scoring functions outperform standard attention for any fixed compute budget. On language modeling, a task that exhibits locality patterns, our MLR-based attention method achieves improved scaling laws compared to both standard attention and variants of sliding window attention. Additionally, we show that both BTT and MLR fall under a broader family of efficient structured matrices capable of encoding either full-rank or distance-dependent compute biases, thereby addressing significant shortcomings of standard attention. Finally, we show that MLR attention has promising results for long-range time-series forecasting.
Authors: H. Martin Gillis, Isaac Xu, Thomas Trappenberg
Abstract: Evaluation of per-sample uncertainty quantification from neural networks is essential for decision-making involving high-risk applications. A common approach is to use the predictive distribution from Bayesian or approximation models and decompose the corresponding predictive uncertainty into epistemic (model-related) and aleatoric (data-related) components. However, additive decomposition has recently been questioned. In this work, we propose an intuitive framework for uncertainty estimation and decomposition based on the signal-to-noise ratio of class probability distributions across different model predictions. We introduce a variance-gated measure that scales predictions by a confidence factor derived from ensembles. We use this measure to discuss the existence of a collapse in the diversity of committee machines.
Authors: Vaibhav Singh, Soumya Suvra Ghosal, Kapu Nirmal Joshua, Soumyabrata Pal, Sayak Ray Chowdhury
Abstract: In-context learning (ICL) has emerged as a powerful paradigm for adapting large language models (LLMs) to new and data-scarce tasks using only a few carefully selected task-specific examples presented in the prompt. However, given the limited context size of LLMs, a fundamental question arises: Which examples should be selected to maximize performance on a given user query? While nearest-neighbor-based methods like KATE have been widely adopted for this purpose, they suffer from well-known drawbacks in high-dimensional embedding spaces, including poor generalization and a lack of diversity. In this work, we study this problem of example selection in ICL from a principled, information theory-driven perspective. We first model an LLM as a linear function over input embeddings and frame the example selection task as a query-specific optimization problem: selecting a subset of exemplars from a larger example bank that minimizes the prediction error on a specific query. This formulation departs from traditional generalization-focused learning theoretic approaches by targeting accurate prediction for a specific query instance. We derive a principled surrogate objective that is approximately submodular, enabling the use of a greedy algorithm with an approximation guarantee. We further enhance our method by (i) incorporating the kernel trick to operate in high-dimensional feature spaces without explicit mappings, and (ii) introducing an optimal design-based regularizer to encourage diversity in the selected examples. Empirically, we demonstrate significant improvements over standard retrieval methods across a suite of classification tasks, highlighting the benefits of structure-aware, diverse example selection for ICL in real-world, label-scarce scenarios.
Authors: Daniil Shlenskii, Alexander Korotin
Abstract: Electrostatic generative models such as PFGM++ have recently emerged as a powerful framework, achieving competitive performance in image synthesis. PFGM++ operates in an extended data space with auxiliary dimensionality $D$, recovering the diffusion model framework as $D\to\infty$, while yielding superior empirical results for finite $D$. Like diffusion models, PFGM++ relies on expensive ODE simulations to generate samples, making it computationally costly. To address this, we propose Inverse Poisson Flow Matching (IPFM), a principled distillation framework that accelerates electrostatic generative models across all values of $D$. Our IPFM reformulates distillation as an inverse problem: learning a generator whose induced electrostatic field matches that of the teacher. We derive a tractable training objective for this problem and show that, as $D\to\infty$, our IPFM closely recovers Score Identity Distillation (SiD), a recent method for distilling diffusion models. Empirically, our IPFM produces distilled generators that achieve near-teacher or even superior sample quality using only a few function evaluations. Moreover, we find that one-step generator distillation converges faster at finite $D$ than in the $D\to\infty$ diffusion limit, aligning with prior evidence that finite-$D$ PFGM++ models offer more favorable optimization and sampling behavior.
Authors: Mohammadreza Bakhtyari, Bogdan Mazoure, Renato Cordeiro de Amorim, Guillaume Rabusseau, Vladimir Makarenkov
Abstract: Identifying an effective clustering algorithm for a given dataset remains a fundamental unsupervised learning issue. We introduce ClustRecNet, a novel end-to-end deep learning framework that recommends suitable clustering algorithm(s) by directly learning high-order representations of raw tabular data. To facilitate robust meta-learning, we first construct a comprehensive repository of 34,000 synthetic datasets encompassing a large variety of clustering scenarios, run 10 popular clustering algorithms, and use Adjusted Rand Index (ARI) to establish ground-truth labels. ClustRecNet's architecture incorporates a convolution block, two residual blocks, and an attention block to capture local and global structural patterns, effectively bypassing the knowledge bottleneck associated with manual feature engineering. Extensive evaluation on both synthetic and real-world benchmarks demonstrates that ClustRecNet consistently outperforms traditional internal cluster validity indices such as Silhouette, Calinski-Harabasz, Davies-Bouldin, and Dunn as well as state-of-the-art Automated Machine Learning (AutoML) approaches such as ML2DAC, AutoCluster, and AutoML4Clust. For example, our framework achieves an average 0.497 ARI gain over the Calinski-Harabasz cluster validity index on synthetic data and an average 44.16% ARI improvement over the leading AutoML approach (ML2DAC) on real-world benchmarks. Code and data are available at: https://github.com/mrbakhtyari/ClustRecNet
Authors: Jaiden Fairoze, Sanjam Garg, Keewoo Lee, Mingyuan Wang
Abstract: Ball et al. recently established that prompt filtering for AI alignment faces a fundamental barrier: under standard cryptographic assumptions, no filter running significantly faster than the protected model can universally distinguish adversarial prompts from benign ones. We investigate whether this impossibility result translates to real-world vulnerabilities in deployed large language model (LLM) systems. We answer affirmatively by introducing controlled-release prompting, a practical instantiation of the theoretical framework that exploits the resource asymmetry between lightweight input filters and the main models they protect. Unlike the theoretical construction, our attack does not require model modification: it generates malicious prompts that are indecipherable by any bounded filter yet remain tractable to the target LLM. We find our attack to be successful on four major chat platforms (Google Gemini, DeepSeek Chat, xAI Grok, and Mistral Le Chat) where baseline methods fail. Additionally, we apply our attack to extract copyrighted data from Gemini. Finally, we provide a systematic evaluation of 14 open-weight prompt guard models, revealing that even reasoning-capable filters cannot reliably detect our attack without incurring prohibitive resource overhead.
Authors: Hanna Mazzawi, Benoit Dherin, Michael Munn, Adrian Goldwaser, Michael Wunder, Javier Gonzalvo
Abstract: A growing body of research has demonstrated that the behavior of large language models can be effectively controlled at inference time by directly modifying their internal states, either through vector additions to their activations or through updates to their weight matrices. These techniques, while powerful, are often guided by empirical heuristics, such as deriving ``steering vectors'' from the average activations of contrastive prompts. Building on the foundational work of Dherin et al. (2025), who discovered that a prompt's influence mathematically maps to token-dependent implicit weight updates and introduced the initial concept of a static thought patch for prompt compression, we elevate this framework into a robust algorithm for direct model editing. We derive a principled method for condensing this transient information into token-independent thought vectors and thought matrices. These constructs provide a theoretical explanation for existing vector-and-matrix-based model editing techniques and offer a direct, computationally-grounded method for transmuting textual input into reusable weight updates for complex architectures and new knowledge injection.
Authors: Johan Obando-Ceron, Walter Mayor, Samuel Lavoie, Scott Fujimoto, Aaron Courville, Pablo Samuel Castro
Abstract: Recent works have proposed accelerating the wall-clock training time of actor-critic methods via the use of large-scale environment parallelization; unfortunately, these can sometimes still require large number of environment interactions to achieve a desired level of performance. Noting that well-structured representations can improve the generalization and sample efficiency of deep reinforcement learning (RL) agents, we propose the use of simplicial embeddings: lightweight representation layers that constrain embeddings to simplicial structures. This geometric inductive bias results in sparse and discrete features that stabilize critic bootstrapping and strengthen policy gradients. When applied to FastTD3, FastSAC, and PPO, simplicial embeddings consistently improve sample efficiency and final performance across a variety of continuous- and discrete-control environments, without any loss in runtime speed.
Authors: Sekitoshi Kanai, Tsukasa Yoshida, Hiroshi Takahashi, Haru Kuroki, Kazumune Hashimoto
Abstract: Test-time alignment of large language models (LLMs) attracts attention because fine-tuning of LLMs requires high computational costs. In this paper, we propose a new test-time reward-guided alignment method called adaptive importance sampling on pre-logits (AISP) on the basis of the sampling-based model predictive control with the stochastic control input. AISP applies the Gaussian perturbation into pre-logits, which are outputs of the penultimate layer, so as to maximize expected rewards with respect to the mean of the perturbation. We demonstrate that the optimal mean is obtained by importance sampling with sampled rewards. AISP outperforms best-of-n sampling in terms of rewards over the number of used samples and achieves higher rewards than other reward-based test-time alignment methods.
Authors: Felix St\"orck, Fabian Hinder, Barbara Hammer
Abstract: With the on-going integration of machine learning systems into the everyday social life of millions the notion of fairness becomes an ever increasing priority in their development. Fairness notions commonly rely on protected attributes to assess potential biases. Here, the majority of literature focuses on discrete setups regarding both target and protected attributes. The literature on continuous attributes especially in conjunction with regression -- we refer to this as \emph{continuous fairness} -- is scarce. A common strategy is iterative null-space projection which as of now has only been explored for linear models or embeddings such as obtained by a non-linear encoder. We improve on this by extending this to kernel induced feature spaces by means of the ``empirical feature space''. We theoretically derive this as a direct transformation of the kernel matrix yielding a model and fairness-score agnostic method applicable to continuous protected attributes. We demonstrate that our novel approach in conjunction with Support Vector Regression (SVR) provides competitive or improved performance across multiple datasets in comparison to other contemporary methods.
Authors: Vasily Ilin, Peter Sushko, Ranjay Krishna
Abstract: Estimating probability density and its score from samples remains a core problem in generative modeling, Bayesian inference, and kinetic theory. Existing methods are bifurcated: classical kernel density estimators (KDE) generalize across distributions but suffer from the curse of dimensionality, while modern neural score models achieve high precision but require retraining for every target distribution. We introduce DiScoFormer (Density and Score Transformer), a ``train-once, infer-anywhere" equivariant Transformer that maps i.i.d. samples to both density values and score vectors, generalizing across distributions and sample sizes. Analytically, we prove that self-attention can recover normalized KDE, establishing it as a functional generalization of kernel methods; empirically, individual attention heads learn multi-scale, kernel-like behaviors. The model converges faster and achieves higher precision than KDE for density estimation, and provides a high-fidelity plug-in score oracle for score-debiased KDE, Fisher information computation, and Fokker-Planck-type PDEs.
Authors: Kai Ma, Zhen Wang, Hongquan He, Qi Xu, Tinghuan Chen, Hao Geng
Abstract: Static IR drop analysis is a fundamental and critical task in the field of chip design. Nevertheless, this process can be quite time-consuming, potentially requiring several hours. Moreover, addressing IR drop violations frequently demands iterative analysis, thereby causing the computational burden. Therefore, fast and accurate IR drop prediction is vital for reducing the overall time invested in chip design. In this paper, we firstly propose a novel multimodal approach that efficiently processes SPICE files through large-scale netlist transformer (LNT). Our key innovation is representing and processing netlist topology as 3D point cloud representations, enabling efficient handling of netlist with up to hundreds of thousands to millions nodes. All types of data, including netlist files and image data, are encoded into latent space as features and fed into the model for static voltage drop prediction. This enables the integration of data from multiple modalities for complementary predictions. Experimental results demonstrate that our proposed algorithm can achieve the best F1 score and the lowest MAE among the winning teams of the ICCAD 2023 contest and the state-of-the-art algorithms.
Authors: Shima Rafiei, Zahra Nabizadeh Shahr-Babak, Soroush Khoubyarian, Alexandre Cooper, Shadrokh Samavi, Shahram Shirani
Abstract: Holography offers significant potential for AR/VR applications. However, its adoption is limited by the high demand for data compression. Existing deep learning approaches generally lack rate adaptivity within a single network and often require multiple models to cover different bandwidth requirements. We present RAVQ-HoloNet, a rate-adaptive vector quantization framework that integrates the rate-adaptive compression with the transformation of image data into phase-only hologram. RAVQ-HoloNet achieves high-fidelity reconstructions, outperforming current state-of-the-art methods implemented via two distinct architectural configurations: a standard model optimized for low bit rates and a deeper, extended variant tailored for ultra low bit rate setting. To evaluate these models, we utilized the DIV2K dataset as a benchmark for high-fidelity holographic reconstruction. Quantitative analysis in the simulation reveals that our approach significantly surpasses current benchmarks. Specifically, in the low bit rate domain, our method achieves a BD-Rate reduction of -33.91% and a BD-PSNR gain of 1.02dB relative to the state-of-the-art method. Additionally, experimental results on the SLM device show that our method achieves higher contrast and improved quality.
Authors: Daphn\'e Chopard, Jorge da Silva Gon\c{c}alves, Irene Cannistraci, Thomas M. Sutter, Julia E. Vogt
Abstract: Selecting compact and informative gene subsets from single-cell transcriptomic data is essential for biomarker discovery, improving interpretability, and cost-effective profiling. However, most existing feature selection approaches either operate as multi-stage pipelines or rely on post hoc feature attribution, making selection and prediction weakly coupled. In this work, we present YOTO (you only train once), an end-to-end framework that jointly identifies discrete gene subsets and performs prediction within a single differentiable architecture. In our model, the prediction task directly guides which genes are selected, while the learned subsets, in turn, shape the predictive representation. This closed feedback loop enables the model to iteratively refine both what it selects and how it predicts during training. Unlike existing approaches, YOTO enforces sparsity so that only the selected genes contribute to inference, eliminating the need to train additional downstream classifiers. Through a multi-task learning design, the model learns shared representations across related objectives, allowing partially labeled datasets to inform one another, and discovering gene subsets that generalize across tasks without additional training steps. We evaluate YOTO on two representative single-cell RNA-seq datasets, showing that it consistently outperforms state-of-the-art baselines. These results demonstrate that sparse, end-to-end, multi-task gene subset selection improves predictive performance and yields compact and meaningful gene subsets, advancing biomarker discovery and single-cell analysis.
Authors: Nathan Kallus
Abstract: Policy alignment to preference data typically assumes a known link function between observed preferences and latent rewards (e.g., Bradley-Terry model / logistic link). Misspecification of this link can bias inferred rewards and misalign learned policies. We study policy alignment under an unknown and unrestricted link function. We formulate an $f$-divergence-constrained reward maximization problem and show that realizability in a policy class induces a semiparametric single-index binary choice model, where a scalar policy-induced index captures all dependence on demonstrations and the remaining preference distribution is unrestricted. Rather than impose identifiability of structural parameters of such a model and estimate them, as in econometrics, we develop methods that directly learn policies, with the reward function implicit, analyzing error to the optimal policy and allowing for unidentifiable and nonparametric indices. We prove link-agnostic convergence guarantees in terms of generic function complexity measures and validate the methods and theory empirically. Code is available at https://github.com/causalml/spo/.
Authors: Yuansan Liu, James Bailey, Antoinette Tordesillas
Abstract: Local Intrinsic Dimensionality (LID) has shown strong potential for anomaly detection in high-dimensional data, including landslide failure detection in granular media, where early and accurate identification of failure zones is crucial for effective geohazard mitigation. However, this task is still challenging due to the spatial correlations and temporal dynamics that are inherently present in surface displacement data. To address this gap, we propose a novel unsupervised framework called spatiotemporal LID (st-LID) that generalizes the LID for robust failure detection in landslide monitoring networks. Our approach introduces three key innovations: (1) Kinematic enhancement, incorporating velocity into the LID computation to capture instantaneous deformation rates and short-term temporal dynamics; (2) Bayesian spatial fusion, which aggregates LID values across spatial neighborhoods via Bayesian estimation, to embed spatial correlations and account for localized noise; and (3) Temporal modeling (t-LID), a new variant that characterizes long-term dynamics of displacement data, providing a robust temporal representation of displacement behavior. By unifying these components, st-LID identifies complex, multi-stage failure zones often overlooked by existing methods. Extensive experiments show that st-LID consistently outperforms state-of-the-art unsupervised baselines in detection precision and lead-time, providing a robust foundation for landslide early warning systems and targeted risk intervention to enhance community resilience and preparedness strategies.
Authors: Viktor Martinek, Roland Herzog
Abstract: Symbolic regression aims to find symbolic expressions that describe datasets. Due to its inherent interpretability, symbolic regression (SR) is a powerful paradigm for scientific discovery. Recent advances have expanded SR to describe related phenomena using a single expression with varying sets of parameters, thereby introducing a single categorical variable. To illustrate, this enables the search for a single expression describing temperaturedependent viscosity across multiple fluids, while simultaneously identifying a distinct set of fluid-specific parameters. We expand upon prior efforts by considering multiple categorical variables and introducing intermediate levels of parameter sharing. Rather than parameters being either entirely universal or entirely unique, some parameters can also be shared across specific categories while remaining distinct for others. This allows for separating universal effects (shared parameters), category-specific trends (partially-shared parameters), and category interactions (non-shared parameters). We test the limits of this setup in terms of reducing data requirements and transfer learning using a synthetic, fitting-only example. Furthermore, we apply the method to an astrophysics dataset also used in a previous single-category study. In comparison, we achieve similar fit quality with significantly fewer parameters while extracting additional information about the problem.
Authors: Bodla Krishna Vamshi, Rohan Bhatnagar, Haizhao Yang
Abstract: Large language models (LLMs) frequently generate factually incorrect or unsupported content, commonly referred to as hallucinations. Prior work has explored decoding strategies, retrieval augmentation, and supervised fine-tuning for hallucination detection, while recent studies show that in-context learning (ICL) can substantially influence factual reliability. However, existing ICL demonstration selection methods often rely on surface-level similarity heuristics and exhibit limited robustness across tasks and models. We propose GA-ICL, a geometry-aware demonstration sampling framework for selecting in-context demonstrations that leverages latent representations extracted from frozen LLMs. By jointly modeling local manifold structure and class-aware prototype geometry, GA-ICL selects demonstrations based on their proximity to learned prototypes rather than lexical or embedding similarity alone. Across factual verification (FEVER) and hallucination detection (HaluEval) benchmarks, GA-ICL outperforms standard ICL selection baselines in the majority of evaluated settings, with particularly strong gains on dialogue and summarization tasks. The method remains robust under temperature perturbations and model variation, indicating improved stability compared to heuristic retrieval strategies. While lexical retrieval can remain competitive in certain question-answering regimes at smaller model scales, our results demonstrate that geometry-aware prototype selection provides a reliable and training-light approach for hallucination detection without modifying LLM parameters. Extended evaluations on Phi-14B and Qwen3-32B confirm that GA-ICL scales effectively to larger models, outperforming all compared baselines including on QA tasks where smaller models show boundary-condition limitations, offering a principled direction for improved ICL demonstration selection.
Authors: Yuval Ran-Milo, Yotam Alexander, Shahar Mendel, Nadav Cohen
Abstract: Transformers trained via Reinforcement Learning (RL) with outcome-based supervision can spontaneously develop the ability to generate intermediate reasoning steps (Chain-of-Thought). Yet the mechanism by which sparse rewards drive policy gradient to discover such systematic reasoning remains poorly understood. We address this by analyzing the policy gradient dynamics of single-layer Transformers on a synthetic graph traversal task that cannot be solved without Chain-of-Thought but admits a simple iterative solution. We prove that despite training solely on final-answer correctness, policy gradient drives the Transformer to converge to a structured, interpretable algorithm that iteratively traverses the graph vertex-by-vertex. We characterize the distributional properties required for this emergence, identifying the critical role of "simple examples": instances requiring fewer reasoning steps. When the training distribution places sufficient mass on these simpler examples, the Transformer learns a generalizable traversal strategy that extrapolates to longer chains; when this mass vanishes, policy gradient learning becomes infeasible. We corroborate our theoretical results through experiments on synthetic data and with real-world language models on mathematical reasoning tasks, validating that our theoretical findings carry over to practical settings.
Authors: Wei Ju, Wei Zhang, Siyu Yi, Zhengyang Mao, Yifan Wang, Jingyang Yuan, Zhiping Xiao, Ziyue Qiao, Ming Zhang
Abstract: Graph Neural Networks (GNNs) have shown remarkable capabilities in learning from graph-structured data with various applications such as social analysis and bioinformatics. However, the presence of label noise in real scenarios poses a significant challenge in learning robust GNNs, and their effectiveness can be severely impacted when dealing with noisy labels on graphs, often stemming from annotation errors or inconsistencies. To address this, in this paper we propose a novel approach called ICGNN that harnesses the structure information of the graph to effectively alleviate the challenges posed by noisy labels. Specifically, we first design a novel noise indicator that measures the influence contradiction score (ICS) based on the graph diffusion matrix to quantify the credibility of nodes with clean labels, such that nodes with higher ICS values are more likely to be detected as having noisy labels. Then we leverage the Gaussian mixture model to precisely detect whether the label of a node is noisy or not. Additionally, we develop a soft strategy to combine the predictions from neighboring nodes on the graph to correct the detected noisy labels. At last, pseudo-labeling for abundant unlabeled nodes is incorporated to provide auxiliary supervision signals and guide the model optimization. Experiments on benchmark datasets show the superiority of our approach over competitive baselines in noisy label scenarios.
Authors: Celia Rubio-Madrigal, Rebekka Burkholz
Abstract: Graph neural networks (GNNs) are widely believed to excel at node representation learning through trainable neighborhood aggregations. We challenge this view by introducing Fixed Aggregation Features (FAFs), a training-free approach that transforms graph learning tasks into tabular problems. This simple shift enables the use of well-established tabular methods, offering strong interpretability and the flexibility to deploy diverse classifiers. Across 14 benchmarks, well-tuned multilayer perceptrons trained on FAFs rival or outperform state-of-the-art GNNs and graph transformers on 12 tasks -- often using only mean aggregation. The only exceptions are the Roman Empire and Minesweeper datasets, which typically require unusually deep GNNs. To explain the theoretical possibility of non-trainable aggregations, we connect our findings to Kolmogorov-Arnold representations and discuss when mean aggregation can be sufficient. In conclusion, our results call for (i) richer benchmarks benefiting from learning diverse neighborhood aggregations, (ii) strong tabular baselines as standard, and (iii) employing and advancing tabular models for graph data to gain new insights into related tasks.
Authors: Kaito Baba, Yoshihiko Ozaki, Shuhei Watanabe
Abstract: We propose conditional PED-ANOVA (condPED-ANOVA), a principled framework for estimating hyperparameter importance (HPI) in conditional search spaces, where the presence or domain of a hyperparameter can depend on other hyperparameters. Although the original PED-ANOVA provides a fast and efficient way to estimate HPI within the top-performing regions of the search space, it assumes a fixed, unconditional search space and therefore cannot properly handle conditional hyperparameters. To address this, we introduce a conditional HPI for top-performing regions and derive a closed-form estimator that accurately reflects conditional activation and domain changes. Experiments show that naive adaptations of existing HPI estimators yield misleading or uninterpretable importances in conditional settings, whereas condPED-ANOVA consistently provides meaningful importances that reflect the underlying conditional structure. Our code is publicly available at https://github.com/kAIto47802/condPED-ANOVA.
Authors: Albert Tseng, Christopher De Sa
Abstract: Modern sparse language models typically achieve sparsity through Mixture-of-Experts (MoE) layers, which dynamically route tokens to dense MLP "experts." However, dynamic hard routing has a number of drawbacks, such as potentially poor hardware efficiency and needing auxiliary losses for stable training. In contrast, the tokenizer embedding table, which is natively sparse, largely avoids these issues by selecting a single embedding per token at the cost of not having contextual information. In this work, we introduce the Large Lookup Layer (L$^3$), which generalizes embedding tables to model decoder layers as a means of further scaling sparsity. L$^3$ layers use static token-based routing to aggregate a set of learned embeddings per token in a context-dependent way, allowing the model to efficiently balance memory and compute by caching information in embeddings. L$^3$ has two main components: (1) a systems-friendly architecture that allows for fast training and CPU-offloaded inference with no overhead, and (2) an information-theoretic embedding allocation algorithm that effectively balances speed and quality. We empirically test L$^3$ by training transformers with up to 2.6B active parameters and find that L$^3$ strongly outperforms both dense models and iso-sparse MoEs in both language modeling and downstream tasks.
Authors: Jianhao Huang, Baharan Mirzasoleiman
Abstract: Masked Diffusion Language Models have recently emerged as a powerful generative paradigm, yet their generalization properties remain understudied compared to their auto-regressive counterparts. In this work, we investigate these properties within the setting of the $k$-parity problem (computing the XOR sum of $k$ relevant bits), where neural networks typically exhibit grokking -- a prolonged plateau of chance-level performance followed by sudden generalization. We theoretically decompose the Masked Diffusion (MD) objective into a Signal regime which drives feature learning, and a Noise regime which serves as an implicit regularizer. By training nanoGPT using MD objective on the $k$-parity problem, we demonstrate that MD objective fundamentally alters the learning landscape, enabling rapid and simultaneous generalization without experiencing grokking. Furthermore, we leverage our theoretical insights to optimize the distribution of the mask probability in the MD objective. Our method significantly improves perplexity for 50M-parameter models and achieves superior results across both pre-training from scratch and supervised fine-tuning. Specifically, we observe performance gains peaking at $8.8\%$ and $5.8\%$, respectively, on 8B-parameter models, confirming the scalability and effectiveness of our framework in large-scale masked diffusion language model regimes.
Authors: Wentai Wu, Hanwei Tan, Yijun Quan, Haixia Peng, Ligang He, Bin Yang, C. L. Philip Chen
Abstract: Federated unlearning (FU) aims to erase knowledge from a global model. Existing studies commonly assume that federated collaboration terminates after unlearning, overlooking a deployment-realistic scenario where training continues on the remaining clients after deletion requests are fulfilled. In this work, we identify a critical failure mode, termed knowledge resurfacing, revealing that continued training on retained data alone can reactivate unlearned knowledge in a few rounds. Empirically, we demonstrate that many state-of-the-art FU methods are prone to knowledge resurfacing. We then propose Lethe, a novel unlearning method for persistent knowledge erasure in federated settings. In each iteration, Lethe operates on a forget stream from the unlearning client and a retain stream from the retained clients. It redirects unlearning updates toward a region where the two streams are anti-aligned, discouraging retained-data training from moving back toward the forgotten knowledge. Consequently, Lethe ensures stronger unlearning persistence during subsequent federated training. Extensive experiments across diverse models, datasets, and unlearning levels validate that Lethe supports all levels of unlearning in a unified manner across both CV and NLP tasks, demonstrating consistently low RR, below 1% in most cases, even after an extremely long horizon of follow-up training.
Authors: Xin Nie, Haicheng Zhang, Liang Dong, Beining Feng, Jinhong Weng, Guiling Sun
Abstract: Mixed-precision quantization is a promising approach for compressing large language models under tight memory budgets. However, existing mixed-precision methods typically suffer from one of two limitations: they either rely on expensive discrete optimization to determine precision allocation, or introduce hardware inefficiencies due to irregular memory layouts. We propose SFMP, a search-free and hardware-friendly mixed-precision quantization framework for large language models. The framework is built upon four novel ideas: Fractional bit-width, which extends integer bit-width for weight matrix to fractional value and transforms discrete precision allocation as a continuous problem; 2)Block-wise mixed-precision, enabling fine-grained precision within weight matrices while remaining hardware-friendly; 3)Row-column weight reordering, which aggregates salient weights via row and column reordering, incurring only a small activation reordering overhead during inference; 4)Unified GEMM kernel, which supports mixed-precision GEMM at arbitrary average bit-width. Extensive experiments demonstrate that SFMP outperforms state-of-the-art layer-wise mixed-precision methods under the same memory constraints, while significantly reducing quantization cost and improving inference efficiency. Code is available at https://github.com/Nkniexin/SFMP
Authors: Adir Dayan, Yam Eitan, Haggai Maron
Abstract: Weight-space learning studies neural architectures that operate directly on the parameters of other neural networks. Motivated by the growing availability of pretrained models, recent work has demonstrated the effectiveness of weight-space networks across a wide range of tasks. SOTA weight-space networks rely on permutation-equivariant designs to improve generalization. However, this may negatively affect expressive power, warranting theoretical investigation. Importantly, unlike other structured domains, weight-space learning targets maps operating on both weight and function spaces, making expressivity analysis particularly subtle. While a few prior works provide partial expressivity results, a comprehensive characterization is still missing. In this work, we address this gap by developing a systematic theory for expressivity of weight-space networks. We first prove that all prominent permutation-equivariant networks are equivalent in expressive power. We then establish universality in both weight- and function-space settings under mild, natural assumptions on the input weights, and characterize the edge-case regimes where universality no longer holds. Guided by our theoretical results, we show that slight modifications to existing weight-space models yield a 34% improvement over prior SOTA, demonstrating the practical relevance of our framework.
Authors: Seyed Mohammad Hadi Hosseini, Mahdieh Soleymani Baghshah
Abstract: Unsupervised Skill Discovery (USD) aims to autonomously learn a diverse set of skills without relying on extrinsic rewards. One of the most common USD approaches is to maximize the Mutual Information (MI) between skill latent variables and states. However, MI-based methods tend to favor simple, static skills due to their invariance properties, limiting the discovery of dynamic, task-relevant behaviors. Distance-Maximizing Skill Discovery (DSD) promotes more dynamic skills by leveraging state-space distances, yet still fall short in encouraging comprehensive skill sets that engage all controllable factors or entities in the environment. In this work, we introduce SUSD, a novel framework that harnesses the compositional structure of environments by factorizing the state space into independent components (e.g., objects or controllable entities). SUSD allocates distinct skill variables to different factors, enabling more fine-grained control on the skill discovery process. A dynamic model also tracks learning across factors, adaptively steering the agent's focus toward underexplored factors. This structured approach not only promotes the discovery of richer and more diverse skills, but also yields a factorized skill representation that enables fine-grained and disentangled control over individual entities which facilitates efficient training of compositional downstream tasks via Hierarchical Reinforcement Learning (HRL). Our experimental results across three environments, with factors ranging from 1 to 10, demonstrate that our method can discover diverse and complex skills without supervision, significantly outperforming existing unsupervised skill discovery methods in factorized and complex environments. Code is publicly available at: https://github.com/hadi-hosseini/SUSD.
Authors: Seyed Mohammad Hadi Hosseini, Amir Najafi, Mahdieh Soleymani Baghshah
Abstract: Bandit algorithms have recently emerged as a powerful tool for evaluating machine learning models, including generative image models and large language models, by efficiently identifying top-performing candidates without exhaustive comparisons. These methods typically rely on a reward model, often distributed with public weights on platforms such as Hugging Face, to provide feedback to the bandit. While online evaluation is expensive and requires repeated trials, offline evaluation with logged data has become an attractive alternative. However, the adversarial robustness of offline bandit evaluation remains largely unexplored, particularly when an attacker perturbs the reward model (rather than the training data) prior to bandit training. In this work, we fill this gap by investigating, both theoretically and empirically, the vulnerability of offline bandit training to adversarial manipulations of the reward model. We introduce a novel threat model in which an attacker exploits offline data in high-dimensional settings to hijack the bandit's behavior. Starting with linear reward functions and extending to nonlinear models such as ReLU neural networks, we study attacks on two Hugging Face evaluators used for generative model assessment: one measuring aesthetic quality and the other assessing compositional alignment. Our results show that even small, imperceptible perturbations to the reward model's weights can drastically alter the bandit's behavior. From a theoretical perspective, we prove a striking high-dimensional effect: as input dimensionality increases, the perturbation norm required for a successful attack decreases, making modern applications such as image evaluation especially vulnerable. Extensive experiments confirm that naive random perturbations are ineffective, whereas carefully targeted perturbations achieve near-perfect attack success rates ...
Authors: Ethan Mendes, Jungsoo Park, Alan Ritter
Abstract: Improving the reasoning capabilities of large language models (LLMs) typically relies either on the model's ability to sample a correct solution to be reinforced or the existence of a stronger model able to solve the problem. However, many difficult problems remain intractable for even current frontier models, preventing the extraction of valid training signals. A promising alternative is to leverage high-quality expert human solutions, yet naive imitation of this data fails because it is fundamentally out-of-distribution: expert solutions are typically didactic, containing implicit reasoning gaps intended for human readers rather than computational models. Furthermore, high-quality expert solutions are expensive, necessitating generalizable, sample-efficient training methods. We propose Distribution Aligned Imitation Learning (DAIL), a two-step self-distillation method that bridges the distributional gap by first transforming expert solutions into detailed, in-distribution reasoning traces and then applying a contrastive objective to focus learning on expert insights and methodologies. We find that DAIL can leverage fewer than 1000 high-quality expert solutions to achieve up to 31% pass@128 gains on Qwen2.5-Instruct and Qwen3, double reasoning efficiency, and enable out-of-domain generalization.
Authors: Jonas Petersen, Camilla Mazzoleni, Gian-Alessandro Lombardi, Federico Martelli, Riccardo Maggioni
Abstract: What structural inductive bias helps transformers reason over knowledge graphs? Through controlled ablations of a minimal transformer modification with four independently removable components (sparse adjacency masking, edge-type biases, query scaling, value gating), we isolate which structural signals drive multi-hop reasoning. Our finding is sharp: sparse adjacency masking alone accounts for the dominant share of improvement over unmasked transformers (+72.5pp on 3-hop MetaQA, +45.5pp on WebQSP, +53.9pp on CWQ), while learned relation parameters add only modest refinement and can actively hurt without structural guidance. A zero-shot experiment provides architecturally independent corroboration: masking-based attention degrades 4.0x less than relation-specific weights when edge types are held out. The useful inductive bias for multi-hop KGQA is predominantly topological, not relational.
Authors: Aleksandar Armacki, Dragana Bajovi\'c, Du\v{s}an Jakoveti\'c, Soummya Kar, Ali H. Sayed
Abstract: The study of tail behaviour of SGD-induced processes has been attracting a lot of interest, due to offering strong guarantees with respect to individual runs of an algorithm. While many works provide high-probability guarantees, quantifying the error rate for a fixed probability threshold, there is a lack of work directly studying the probability of failure, i.e., quantifying the tail decay rate for a fixed error threshold. Moreover, existing results are of finite-time nature, limiting their ability to capture the true long-term tail decay which is more informative for modern learning models, typically trained for millions of iterations. Our work closes these gaps, by studying the long-term tail decay of SGD-based methods through the lens of large deviations theory, establishing several strong results in the process. First, we provide an upper bound on the tails of the gradient norm-squared of the best iterate produced by (vanilla) SGD, for non-convex costs and bounded noise, with long-term decay at rate $e^{-t/\log(t)}$. Next, we relax the noise assumption by considering clipped SGD (c-SGD) under heavy-tailed noise with bounded moment of order $p \in (1,2]$, showing an upper bound with long-term decay at rate $e^{-t^{\beta_p}/\log(t)}$, where $\beta_p = \frac{4(p-1)}{3p-2}$ for $p \in (1,2)$ and $e^{-t/\log^2(t)}$ for $p = 2$. Finally, we provide lower bounds on the tail decay, at rate $e^{-t}$, showing that our rates for both SGD and c-SGD are tight, up to poly-logarithmic factors. Notably, our results demonstrate an order of magnitude faster long-term tail decay compared to existing work based on finite-time bounds, which show rates $e^{-\sqrt{t}}$ and $e^{-t^{\beta_p/2}}$, $p \in (1,2]$, for SGD and c-SGD, respectively. As such, we uncover regimes where the tails decay much faster than previously known, providing stronger long-term guarantees for individual runs.
Authors: Binghui Li, Kaifei Wang, Han Zhong, Pinyan Lu, Liwei Wang
Abstract: Muon updates matrix parameters via the matrix sign of the gradient and has shown strong empirical gains, yet its dynamics and scaling behavior remain unclear in theory. We study Muon in a linear associative memory model with softmax retrieval and a hierarchical frequency spectrum over query-answer pairs, with and without label noise. In this setting, we show that Gradient Descent (GD) learns frequency components at highly imbalanced rates, leading to slow convergence bottlenecked by low-frequency components. In contrast, the Muon optimizer mitigates this imbalance, leading to faster and more uniform progress. Specifically, in the noiseless case, Muon achieves an exponential speedup over GD; in the noisy case with a power-law frequency spectrum, we derive Muon's scaling law and demonstrate its superior scaling efficiency over GD. Furthermore, we show that Muon can be interpreted as an implicit matrix preconditioner arising from adaptive task alignment and block-symmetric gradient structure. In contrast, the preconditioner with coordinate-wise sign operator could match Muon under oracle access to unknown task representations, which is infeasible for SignGD in practice. Experiments on synthetic long-tail classification and LLaMA-style pre-training corroborate the theory.
Authors: Ambroise Odonnat, Laetitia Chapel, Romain Tavenard, Ievgen Redko
Abstract: The smoothness of the transformer architecture has been extensively studied in the context of generalization, training stability, and adversarial robustness. However, its role in transfer learning remains poorly understood. In this paper, we analyze the ability of vision transformer components to adapt their outputs to changes in inputs, or, in other words, their \emph{plasticity}. Defined as an average rate of change, it captures the sensitivity to input perturbation; in particular, a high plasticity implies a low smoothness. Our theoretical analysis and extensive experiments -- over $1,000$ finetuning runs on large-scale vision transformers -- showcase that this perspective provides principled guidance in choosing the components to prioritize during adaptation. A key takeaway for practitioners is that the high plasticity of the attention modules and feedforward layers consistently leads to better finetuning performance. Our findings depart from the prevailing assumption that smoothness is desirable, offering a novel perspective on transformers' functional properties. The code is available at https://github.com/ambroiseodt/vit-plasticity.
Authors: H. Martin Gillis, Isaac Xu, Thomas Trappenberg
Abstract: Machine learning applications require fast and reliable per-sample uncertainty estimation. A common approach is to use predictive distributions from Bayesian or approximation methods and additively decompose uncertainty into aleatoric (i.e., data-related) and epistemic (i.e., model-related) components. However, additive decomposition has recently been questioned, with evidence that it breaks down when using finite-ensemble sampling and/or mismatched predictive distributions. This paper introduces Variance-Gated Ensembles (VGE), an intuitive, differentiable framework that injects epistemic sensitivity via a signal-to-noise gate computed from ensemble statistics. VGE provides: (i) a Variance-Gated Margin Uncertainty (VGMU) score that couples decision margins with ensemble predictive variance; and (ii) a Variance-Gated Normalization (VGN) layer that generalizes the variance-gated uncertainty mechanism to training via per-class, learnable normalization of ensemble member probabilities. We derive closed-form vector-Jacobian products enabling end-to-end training through ensemble sample mean and variance. VGE matches or exceeds state-of-the-art information-theoretic baselines while remaining computationally efficient. As a result, VGE provides a practical and scalable approach to epistemic-aware uncertainty estimation in ensemble models.
Authors: Djohan Bonnet, Jamie Lohoff, Jan Finkbeiner, Elidona Shiqerukaj, Emre Neftci
Abstract: In-Context Learning (ICL) in transformers acts as an online associative memory and is believed to underpin their high performance on complex sequence processing tasks. However, in gated linear attention models, this memory has a fixed capacity and is prone to interference, especially for long sequences. We propose Palimpsa, a self-attention model that views ICL as a continual learning problem that must address a stability-plasticity dilemma. Palimpsa uses Bayesian metaplasticity, where the plasticity of each attention state is tied to an importance state grounded by a prior distribution that captures accumulated knowledge. We demonstrate that various gated linear attention models emerge as specific architecture choices and posterior approximations, and that Mamba2 is a special case of Palimpsa where forgetting dominates. This theoretical link enables the transformation of any non-metaplastic model into a metaplastic one, significantly expanding its memory capacity. Our experiments show that Palimpsa consistently outperforms baselines on the Multi-Query Associative Recall (MQAR) benchmark and on Commonsense Reasoning tasks.
Authors: Zhongzheng Qiao, Sheng Pan, Anni Wang, Viktoriya Zhukova, Yong Liu, Xudong Jiang, Qingsong Wen, Mingsheng Long, Ming Jin, Chenghao Liu
Abstract: Time series foundation models (TSFMs) are revolutionizing the forecasting landscape from specific dataset modeling to generalizable task evaluation. However, we contend that existing benchmarks exhibit common limitations in four dimensions: constrained data composition dominated by reused legacy sources, compromised data integrity lacking rigorous quality assurance, misaligned task formulations detached from real-world contexts, and rigid analysis perspectives that obscure generalizable insights. To bridge these gaps, we introduce TIME, a next-generation task-centric benchmark comprising 50 fresh datasets and 98 forecasting tasks, tailored for strict zero-shot TSFM evaluation free from data leakage. Integrating large language models and human expertise, we establish a human-in-the-loop benchmark construction pipeline to ensure high data integrity and redefine task formulation by aligning forecasting configurations with real-world operational requirements and variate predictability. Furthermore, we propose a novel pattern-level evaluation perspective that moves beyond traditional dataset-level evaluations based on static meta labels. By leveraging structural time series features to characterize intrinsic temporal properties, this approach offers generalizable insights into model capabilities across diverse patterns. We evaluate 12 TSFMs and establish a multi-granular leaderboard to facilitate in-depth analysis and visualized inspection. The leaderboard is available at https://huggingface.co/spaces/Real-TSF/TIME-leaderboard.
URLs: https://huggingface.co/spaces/Real-TSF/TIME-leaderboard.
Authors: Jashaswimalya Acharjee, Balaraman Ravindran
Abstract: We present Unified Latent Dynamics (ULD), a novel reinforcement learning algorithm that unifies the efficiency of model-free methods with the representational strengths of model-based approaches, without incurring planning overhead. By embedding state-action pairs into a latent space in which the true value function is approximately linear, our method supports a single set of hyperparameters across diverse domains -- from continuous control with low-dimensional and pixel inputs to high-dimensional Atari games. We prove that, under mild conditions, the fixed point of our embedding-based temporal-difference updates coincides with that of a corresponding linear model-based value expansion, and we derive explicit error bounds relating embedding fidelity to value approximation quality. In practice, ULD employs synchronized updates of encoder, value, and policy networks, auxiliary losses for short-horizon predictive dynamics, and reward-scale normalization to ensure stable learning under sparse rewards. Evaluated on 80 environments spanning Gym locomotion, DeepMind Control (proprioceptive and visual), and Atari, our approach matches or exceeds the performance of specialized model-free and general model-based baselines -- achieving cross-domain competence with minimal tuning and a fraction of the parameter footprint. These results indicate that value-aligned latent representations alone can deliver the adaptability and sample efficiency traditionally attributed to full model-based planning.
Authors: Sourav Chakraborty, Amit Kiran Rege, Claire Monteleoni, Lijun Chen
Abstract: Scalable methods for networked multi-agent reinforcement learning let each agent plan using only a small neighborhood of the agent graph. This works only when the system is value-local, meaning a perturbation at one agent affects the long-run value at another agent weakly when the two are far apart. In the average-reward setting, the standard way to certify locality is the Dobrushin row-sum bound on a single matrix $C^\pi$ that captures how each agent's next state depends on each other agent's current state. To make this matrix easy to work with, prior work bounds it by a supremum over joint actions. The resulting bound is independent of the policy, but it is loose whenever the policy never picks the worst-case action. We split $C^\pi$ into pieces that separately track environment sensitivity and policy sensitivity, $C^\pi \preceq E^{\mathrm s}+E^{\mathrm a}\Pi(\pi)$, where $E^{\mathrm s}$ measures how the next state moves with the current state, $E^{\mathrm a}$ measures how it moves with the current action, and $\Pi(\pi)$ measures how reactive the policy is to changes in state. The spectral radius of $H^\pi := E^{\mathrm s}+E^{\mathrm a}\Pi(\pi)$ then controls the decay of the average-reward Poisson solution, and the spectral certificate $\rho(H^\pi)<1$ is strictly weaker than the row-sum condition $\|H^\pi\|_\infty<1$ on the same matrix and applies in regimes where policy-independent action-supremum bounds used in prior Dobrushin-style work cannot. For temperature-$\tau$ softmax policies we get $\Pi(\pi)\le L/(2\tau)$, so the softmax temperature directly controls locality. We use this decay result to give a deterministic oracle guarantee for a block-coordinate KL-proximal policy-improvement template whose truncation bias decays exponentially in the message-passing radius $\kappa$.
Authors: Xiaoxian Zhu, Yingmeng Li, Shuangge Ma, Mengyun Wu
Abstract: In modern applications such as ECG monitoring, neuroimaging, wearable sensing, and industrial equipment diagnostics, complex and continuously structured data are ubiquitous, presenting both challenges and opportunities for functional data analysis. However, existing methods face a critical trade-off: conventional functional models are limited by linearity, whereas deep learning approaches lack interpretable region selection for sparse effects. To bridge these gaps, we propose a sparse Bayesian functional deep neural network (sBayFDNN). It learns adaptive functional embeddings through a deep Bayesian architecture to capture complex nonlinear relationships, while a structured prior enables interpretable, region-wise selection of influential domains with quantified uncertainty. Theoretically, we establish rigorous approximation error bounds, posterior consistency, and region selection consistency. These results provide the first theoretical guarantees for a Bayesian deep functional model, ensuring its reliability and statistical rigor. Empirically, comprehensive simulations and real-world studies confirm the effectiveness and superiority of sBayFDNN. Crucially, sBayFDNN excels in recognizing intricate dependencies for accurate predictions and more precisely identifies functionally meaningful regions, capabilities fundamentally beyond existing approaches.
Authors: Mihir More, Aritra Das, Jaee Ponde, Himadri Mandal, Vishnu Varadarajan, Debayan Gupta
Abstract: Bubeck and Selke (2021) propose the connection between the Law of Robustness and robust generalization error as an open problem. The Law of Robustness states that overparameterization is necessary for models to interpolate robustly, i.e., the interpolating function is required to be Lipschitz. Wu et al. (2023) extend this law to arbitrary data distributions, proving that the Lipschitz constant satisfies $L = \Omega(n^{1/d})$. Robust generalization, on the other hand, asks whether small robust training loss implies small robust test loss. This can be studied using statistical learning techniques such as Rademacher complexities, where a bound on the Rademacher complexity of the robust loss class implies a bound on the Lipschitzness of the function class. We use this connection to explicitly link the two for arbitrary data distributions. (i) We prove that the order of the Lipschitz bound remains the same when considering the global Rademacher complexity of robust loss classes. (ii) At the local scale, i.e., for subsets of functions with small empirical error, the order of the Lipschitz bound changes with the perturbation radius $\rho$ and the localized concentration term $\sqrt{r/n}$.
Authors: Jianlu Shen, Fu Feng, Yucheng Xie, Jiaqi Lv, Xin Geng
Abstract: Transferring knowledge by fine-tuning large-scale pre-trained networks has become a standard paradigm for downstream tasks, yet the knowledge of a pre-trained model is tightly coupled with monolithic architecture, which restricts flexible reuse across models of varying scales. In response to this challenge, recent approaches typically resort to either parameter selection, which fails to capture the interdependent structure of this knowledge, or parameter prediction using generative models that depend on impractical access to large network collections. In this paper, we identify the low-frequency components of model weights as the concrete carrier of foundational, task-agnostic knowledge, its ``learngene", and validate this by demonstrating its efficient inheritance by downstream models and tasks. Based on this insight, we propose FRONT (FRequency dOmain kNowledge Transfer), a novel framework that uses the Discrete Cosine Transform (DCT) to isolate the low-frequency ``learngene". This learngene can be seamlessly adapted to initialize models of arbitrary size via simple truncation or padding, a process that is entirely training-free. For enhanced performance, we propose an optional low-cost refinement process that introduces a spectral regularizer to further improve the learngene's transferability. Extensive experiments demonstrate that FRONT achieves the state-of-the-art performance, accelerates convergence by up to $15\times$ in vision tasks, and reduces training FLOPs by an average of 40.5% in language tasks. Code is available at https://github.com/LUcy0505/FRONT.
Authors: Tiehua Mei, Minxuan Lv, Leiyu Pan, Zhenpeng Su, Hongru Hou, Hengrui Chen, Ao Xu, Deqing Yang
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) improves reasoning in large language models but treats all correct solutions equally, potentially reinforcing flawed traces that arrive at correct answers by chance. We observe that \emph{better reasoning makes better demonstrations}: high-quality solutions serve as more effective in-context examples than low-quality ones. We term this teaching ability \textbf{Demonstration Utility}, and show that the policy model's own in-context learning ability provides an efficient way to measure it, yielding a quality signal termed \textbf{Evidence Gain}. To leverage this signal during training, we introduce \textbf{In-Context RLVR}, which prepends demonstrations before each rollout. Theoretically, we prove that this simple input modification implicitly reweights rewards by a factor approximately proportional to Evidence Gain, assigning higher weights to high-quality traces without requiring costly computation. Experiments on mathematical reasoning benchmarks demonstrate consistent improvements in both accuracy and reasoning quality over standard RLVR baselines. Our codes and datasets are available at https://github.com/Mithas-114/IC-DAPO.
Authors: Yelysei Bondarenko, Thomas Hehn, Rob Hesselink, Romain Lepert, Fabio Valerio Massoli, Evgeny Mironov, Leyla Mirvakhabova, Tribhuvanesh Orekondy, Spyridon Stasis, Andrey Kuzmin, Anna Kuzina, Markus Nagel, Ankita Nayak, Corrado Rainone, Ork de Rooij, Paul N Whatmough, Arash Behboodi, Babak Ehteshami Bejnordi
Abstract: Large language models (LLMs) with chain-of-thought reasoning achieve state-of-the-art performance across complex problem-solving tasks, but their verbose reasoning traces and large context requirements make them impractical for edge deployment. These challenges include high token generation costs, large KV-cache footprints, and inefficiencies when distilling reasoning capabilities into smaller models for mobile devices. Existing approaches often rely on distilling reasoning traces from larger models into smaller models, which are verbose and stylistically redundant, undesirable for on-device inference. In this work, we propose a lightweight approach to enable reasoning in small LLMs using LoRA adapters combined with supervised fine-tuning. We further introduce budget forcing via reinforcement learning on these adapters, significantly reducing response length with minimal accuracy loss. To address memory-bound decoding, we exploit parallel test-time scaling, improving accuracy at minor latency increase. Finally, we present a dynamic adapter-switching mechanism that activates reasoning only when needed and a KV-cache sharing strategy during prompt encoding, reducing time-to-first-token for on-device inference. Experiments on Qwen2.5-7B demonstrate that our method achieves efficient, accurate reasoning under strict resource constraints, making LLM reasoning practical for mobile scenarios. Videos demonstrating our solution running on mobile devices are available on our project page.
Authors: An Luo, Jin Du, Xun Xian, Robert Specht, Fangqiao Tian, Ganghua Wang, Xuan Bi, Charles Fleming, Ashish Kundu, Jayanth Srinivasa, Mingyi Hong, Rui Zhang, Tianxi Li, Galin Jones, Jie Ding
Abstract: Data science plays a critical role in transforming complex data into actionable insights across numerous domains. Recent developments in large language models (LLMs) and artificial intelligence (AI) agents have significantly automated data science workflow. However, it remains unclear to what extent AI agents can match the performance of human experts on domain-specific data science tasks, and in which aspects human expertise continues to provide advantages. We introduce AgentDS, a benchmark and competition designed to evaluate both AI agents and human-AI collaboration performance in domain-specific data science. AgentDS consists of 17 challenges across six industries: commerce, food production, healthcare, insurance, manufacturing, and retail banking. We conducted an open competition involving 29 teams and 80 participants, enabling systematic comparison between human-AI collaborative approaches and AI-only baselines. Our results show that current AI agents struggle with domain-specific reasoning. AI-only baselines perform below the top quartile of competition participants, while the strongest solutions arise from human-AI collaboration. These findings challenge the narrative of complete automation by AI and underscore the enduring importance of human expertise in data science, while illuminating directions for the next generation of AI. Visit the AgentDS website here: https://agentds.org/ and open source datasets here: https://huggingface.co/datasets/lainmn/AgentDS .
URLs: https://agentds.org/, https://huggingface.co/datasets/lainmn/AgentDS
Authors: Foo Hui-Mean, Yuan-chin I Chang
Abstract: Sequential experimental design under expensive, gradient-free objectives is a central challenge in computational statistics: evaluation budgets are tightly constrained and information must be extracted efficiently from each observation. We propose \textbf{ALMAB-DC}, a GP-based sequential design framework combining active learning, multi-armed bandits (MAB), and distributed asynchronous computing for expensive black-box experimentation. A Gaussian process surrogate with uncertainty-aware acquisition identifies informative query points; a UCB or Thompson-sampling bandit controller allocates evaluations across parallel workers; and an asynchronous scheduler handles heterogeneous runtimes. We present cumulative regret bounds for the bandit components and characterize parallel scalability via Amdahl's Law. We validate ALMAB-DC on five benchmarks. On the two statistical experimental-design tasks, ALMAB-DC achieves lower simple regret than Equal Spacing, Random, and D-optimal designs in dose--response optimization, and in adaptive spatial field estimation matches the Greedy Max-Variance benchmark while outperforming Latin Hypercube Sampling; at $K=4$ the distributed setting reaches target performance in one-quarter of sequential wall-clock rounds. On three ML/engineering tasks (CIFAR-10 HPO, CFD drag minimization, MuJoCo RL), ALMAB-DC achieves 93.4\% CIFAR-10 accuracy (outperforming BOHB by 1.7\,pp and Optuna by 1.1\,pp), reduces airfoil drag to $C_D = 0.059$ (36.9\% below Grid Search), and improves RL return by 50\% over Grid Search. All advantages over non-ALMAB baselines are statistically significant under Bonferroni-corrected Mann--Whitney $U$ tests. Distributed execution achieves $7.5\times$ speedup at $K = 16$ agents, consistent with Amdahl's Law.
Authors: Huaiyang Wang, Xiaojie Li, Deqing Wang, Haoyi Zhou, Zixuan Huang, Yaodong Yang, Jianxin Li, Yikun Ban
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has become a central post-training paradigm for improving the reasoning capabilities of large language models. Yet existing methods share a common blind spot: they optimize policies based on instantaneous group-level or batch-level statistics without ever verifying whether the resulting update actually improved the model. This open-loop design -- updating in isolation at each step, guided only by within-group (batch) reward signals -- means optimization can drift or collapse with no mechanism to detect and correct these failures. We argue that the missing ingredient is policy improvement feedback: the ability to measure and optimize inter-iteration progress directly. To this end, we introduce Policy Improvement Reinforcement Learning (PIRL), a framework that replaces surrogate reward maximization with the explicit objective of maximizing cumulative policy improvement across iterations, and prove this temporal objective is perfectly aligned with maximizing final task performance. Building on PIRL, we propose Policy Improvement Policy Optimization (PIPO), which implements closed-loop optimization through retrospective verification. At each iteration, PIPO evaluates whether the previous update yielded genuine improvement against a sliding-window historical baseline, then actively reinforces beneficial updates and suppresses the harmful ones -- transforming an open-loop process into a self-correcting one. We provide theoretical analysis showing that PIPO performs ascent on the PIRL objective in expectation, and experiments on mathematical reasoning benchmarks demonstrate improved stability and performance over GRPO and its variants.
Authors: Haorui Ma, Dennis Frauen, Valentyn Melnychuk, Stefan Feuerriegel
Abstract: Estimation of heterogeneous long-term treatment effects (HLTEs) is relevant for personalized decision-making in marketing, economics, and medicine, where short-term observational datasets are often combined with long-term observational datasets. However, HLTE estimation is challenging due to limited overlap in treatment assignments or in long-term outcomes for certain subpopulations, which can lead to unstable HLTE estimates with large finite-sample variance. To address this challenge, we introduce the LT-O-learners (Long-Term Orthogonal Learners), a set of novel orthogonal learners for HLTE estimation in the canonical HLTE setting with surrogacy. The key idea of our LT-O-learners is to retarget the loss via custom overlap weights that downweight low-overlap samples. We show that the retargeted loss recovers the true HLTE pointwise and satisfies Neyman-orthogonality. We further prove two key theoretical results: (i) The nuisance error enters the error bound only through higher-order terms, which means our learners are robust to nuisance estimation error. (ii) Under a linear function class, the retargeting effectively controls the asymptotic variance of the HLTE estimator via the overlap weights in low-overlap regimes. We conduct experiments on synthetic and real-world datasets to confirm the theoretical properties of our LT-O-learners, particularly robustness in low-overlap regimes. To our knowledge, ours are the first orthogonal learners for HLTE estimation robust to low overlap in long-term settings.
Authors: Gleb Rodionov, Roman Garipov, George Yakushev
Abstract: Large language models (LLMs) exhibiting test-time scaling behavior, such as extended reasoning traces and self-verification, have demonstrated remarkable performance on complex, long-term reasoning tasks. However, the robustness of these reasoning behaviors remains underexplored. To investigate this, we conduct a systematic evaluation of multiple reasoning models across three scenarios: (1) problems augmented with lengthy, irrelevant context; (2) multi-turn conversational settings with independent tasks; and (3) problems presented as a subtask within a complex task. We observe an interesting phenomenon: reasoning models tend to produce much shorter reasoning traces (up to 65%) for the same problem under different context conditions compared to the traces produced when the problem is presented in isolation. A finer-grained analysis reveals that this compression is associated with a decrease in self-verification and uncertainty management behaviors, such as double-checking. While this behavioral shift does not compromise performance on straightforward problems, it might affect performance on more challenging tasks. Additionally, we show that targeted supervised fine-tuning partially mitigates the adverse effects of irrelevant context. We hope our findings draw additional attention to both the robustness of reasoning models and the problem of context management for LLMs and LLM-based agents.
Authors: Weida Li, Yaoliang Yu, Bryan Kian Hsiang Low
Abstract: The Shapley value, and its broader family of semi-values, has received much attention in various attribution problems. A fundamental and long-standing challenge is their efficient approximation, since exact computation generally requires an exponential number of utility queries in the number of players $n$. To meet the challenges of large-scale applications, we explore the limits of efficiently approximating semi-values under a $\Theta(n)$ space constraint. Building upon a vector concentration inequality, we establish a theoretical framework that enables sharper query complexities for existing unbiased randomized algorithms. Within this framework, we systematically develop a linear-space algorithm that requires $O(\frac{n}{\epsilon^{2}}\log\frac{1}{\delta})$ utility queries to ensure $P(\|\hat{\boldsymbol\phi}-\boldsymbol\phi\|_{2}\geq\epsilon)\leq \delta$ for all commonly used semi-values. In particular, our framework naturally bridges OFA, unbiased kernelSHAP, SHAP-IQ and the regression-adjusted approach, and definitively characterizes when paired sampling is beneficial. Moreover, our algorithm allows explicit minimization of the mean squared error $\mathbb{E}[\|\hat{\boldsymbol\phi}-\boldsymbol\phi\|_{2}^{2}]$ for each specific utility function. Accordingly, we introduce the first adaptive, linear-time, linear-space randomized algorithm, Adalina, that theoretically achieves improved mean squared error. All of our theoretical findings are experimentally validated. Our code is available at https://github.com/watml/adalina.
Authors: Cheng Lu, Mengxin Wang, Dennis J. Zhang, Heng Zhang
Abstract: Large language models enable inexpensive AI-generated annotations, but using them reliably for causal inference remains challenging. Naively pooling AI and human data induces bias, while existing methods such as Prediction-Powered Inference (PPI; Angelopoulos et al., 2023a) treat AI outputs as proxies of true labels -- an assumption often violated for generative model outputs in practice. We propose Generative Augmented Inference (GAI), a framework that treats AI outputs as general, potentially high-dimensional informative features for learning human labels rather than as surrogates. GAI flexibly models this relationship using nonparametric methods, enabling consistent estimation and valid inference from combined human and AI data. We establish asymptotic normality and show that, under random labeling, GAI strictly improves asymptotic efficiency over human-data-only estimation whenever AI outputs are informative for true labels. Empirical studies on real-world datasets demonstrate that GAI significantly reduces estimation error and improves confidence interval quality across diverse generative data sources relative to human-only and PPI-based estimation.
Authors: Bilal Faye, Abdoulaye Mbaye, Hanane Azzag, Mustapha Lebbah
Abstract: Multi-head attention enables Transformers to capture diverse representations, but all attention heads are typically activated for every input, regardless of task complexity. For coarse-grained tasks such as text classification, where relevant information is often global, this fixed allocation can introduce unnecessary computation. We propose BudgetFormer, a Transformer architecture that dynamically allocates attention heads on a per-input basis. The model learns both a head budget and a relevance distribution to select the most informative heads. To support effective head selection, we introduce a training strategy that balances exploration and exploitation. Experiments on text classification tasks show that BudgetFormer reduces FLOPs and memory usage while matching or surpassing the performance of standard multi-head attention. These results highlight adaptive head allocation as an effective approach to improving Transformer efficiency and performance.
Authors: Francesco Aldo Venturelli, Emanuele Costa, Sikha O K, Bruno Juli\'a-D\'iaz, Miguel A. Gonz\'alez Ballester, Alba Cervera-Lierta
Abstract: Deep learning models are used in critical applications, in which mistakes can have serious consequences. Therefore, it is crucial to understand how and why models generate predictions. This understanding provides useful information to check whether the model is learning the right patterns, detect biases in the data, improve model design, and build systems that can be trusted. This work proposes a new method for interpreting Convolutional Neural Networks in image classification tasks. The approach works by selecting the most representative feature maps that contribute to each prediction. To solve this combinatorial problem, we encode it into a quantum constrained optimization problem and propose to solve it using quantum annealing. We evaluate our method against the state-of-the-art explainable AI techniques, specifically GradCAM and GradCAM++, and observe an improved class disentanglement, i.e. the model's decision boundaries become more distinct and its reasoning more transparent. This demonstrates that our approach enhances the quality of explanations, making it easier to understand which features the model relies on for specific predictions. In addition, we study the computational behavior of the quantum annealing algorithm. Specifically, we analyze the minimum energy gap of the system during computation and the probability that the algorithm finds the correct solution. These analyses provide theoretical insight into why the method works effectively in practice.
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 masked 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. 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: Kyle Lee, Corentin Delacour, Kevin Callahan-Coray, Kyle Jiang, Can Yaras, Samet Oymak, Tathagata Srimani, Kerem Y. Camsari
Abstract: Autoregressive decoding becomes bandwidth-limited at long contexts, as generating each token requires reading all $n_k$ key and value vectors from KV cache. We present Stochastic Additive No-mulT Attention (SANTA), a method that sparsifies value-cache access by sampling $S \ll n_k$ indices from the post-softmax distribution and aggregates only those value rows. This yields an unbiased estimator of the post-softmax value aggregation while replacing value-stage multiply-accumulates with gather-and-add. We introduce stratified and systematic sampling to design variance-reduced, GPU-friendly variants. Evaluated on Llama-3.1-8B-Instruct at 32k-token contexts, S$^2$ANTA matches baseline accuracy while achieving up to $1.5\times$ decode-step attention-kernel speedup over FlashInfer and FlashDecoding on an NVIDIA RTX 6000 Ada. In batched long-context generation, these kernel gains translate to up to $1.25\times$ end-to-end decode-latency speedup. Finally, we propose Bernoulli $qK^\mathsf{T}$ sampling as a complementary technique to sparsify the score stage, reducing key-feature access through stochastic ternary queries. Both methods are complementary to upstream quantization, low-rank projection, KV-cache compression, and KV-cache selection methods. Together, they point toward sparse, multiplier-free, and energy-efficient inference. We open-source our kernels at: https://github.com/OPUSLab/SANTA.git
Authors: Christine Ye, Joe Benton
Abstract: Reinforcement learning with verifiable rewards has been used to elicit impressive performance from language models in many domains. But, broadly beneficial deployments of AI may require us to train models with strong capabilities in "fuzzy", hard-to-supervise domains. In this paper, we develop methods to align language models in fuzzy domains where human experts are still able to provide high-quality supervision signal, but only for a small number of model outputs, using online natural language feedback. Specifically, we train models by iteratively optimizing against proxy reward signals, stopping at the point of over-optimization, collecting fresh expert supervision, and updating the proxy reward. We construct proxy reward models from language models using in-context learning (ICL) and fine-tuning. We test our methods by eliciting creative writing and alignment research capabilities in Qwen3-8B and Haiku 4.5 respectively. For Qwen3-8B, ICL methods recover up to 35% of performance with 50x fewer expert samples, while fine-tuning methods recover 80% with up to 20x fewer samples and 100% with 3x fewer samples. For Haiku 4.5, ICL methods recover up to 35% of performance with 30x fewer samples, and fine-tuning methods recover 100% with 10x fewer samples. Our results suggest that online natural language feedback can substantially improve the data efficiency of expert supervision.
Authors: Montaser Mohammedalamen, Kevin Roice, Reginald McLean, Alyssa Lefaivre \v{S}kopac
Abstract: The evolution of generative models from next-token predictors to autonomous engines of complex systems necessitates rigorous safety hardening. Adversarial jailbreaking, the strategic manipulation of models to elicit harmful output, remains a primary threat to safe deployment. While Reinforcement Learning (RL) frames jailbreaking as a multi-step attack through sequential optimization, a mechanistic understanding of why the framework succeeds remains incomplete. To fill this gap, we present the first systematic decomposition of RL jailbreaking. We deconstruct the framework into problem formalization (reward function, action space, episode length), and algorithmic measures (RL algorithm, training data, reward-shaping) to identify the structural determinants of adversarial success. Our results reveal that the RL-jailbreaker successfully compromised all targeted models and safeguards. Through this first-of-its-kind analysis, we demonstrate that environment formalization, specifically dense rewards and extended episode lengths, is the primary driver of jailbreaking success. This work provides a tool for improving RL-jailbreaker efficiency and, ultimately, harden generative models resistant to RL-based attacks.
Authors: Ali Falahati, Mohammad Mohammadi Amiri, Kate Larson, Lukasz Golab
Abstract: Recursive retraining of generative models poses a critical representation challenge: when synthetic outputs are curated based on a fixed reward signal, the model tends to collapse onto a narrow set of outputs that over-optimize that objective. Prior work suggests that such collapse is unavoidable without adding real data into the mix. We revisit this conclusion from an alignment perspective and show that collapse can be mitigated through curation based on multiple reward functions. We formalize the dynamics of recursive training under heterogeneous preferences and prove that, under certain conditions, the model converges to a stable distribution that allocates probability mass across competing high-reward regions. The limiting distribution preserves diversity and provably satisfies a weighted Nash bargaining solution, offering a formal interpretation of value aggregation in synthetic retraining loops.
Authors: Karim Othman, Jonas Petersen, Matei Ignuta-Ciuncanu, Camilla Mazzoleni, Federico Martelli, Alessandro Lombardi, Riccardo Maggioni, Philipp Petersen
Abstract: We introduce the first universal pretraining corpus for industrial time-series data: FactoryNet. 51M datapoints across 23k end-to-end task executions (13.3k real, 9.8k synthetic) on six embodiments, unified by a shared schema that enables robust zero-shot cross-embodiment transfer and highly parameter-efficient anomaly detection. We introduce a novel schema: Setpoint, Effort, Feedback, Context (S-E-F-C) underlying the whole pipeline that maps any actuated system into a common representational frame. The corpus spans 27 annotated anomaly types alongside healthy baselines and counterfactual pairs across robotic manipulation and machining domains. Cross-embodiment transfer experiments yield positive results: under bias-aware metrics our model demonstrates fair cross-embodiment transfer capabilities on the evaluated source-target pair, while 24 schema-aligned signals achieves competitive anomaly detection performance compared to high-dimensional baselines. We release FactoryNet as a growing, multi-embodiment dataset to drive progress toward industrial foundation models.
Authors: Jonas Petersen, Gian-Alessandro Lombardi, Riccardo Maggioni, Camilla Mazzoleni, Federico Martelli, Philipp Petersen
Abstract: Critical events in multivariate time series, from turbine failures to cardiac arrhythmias, demand accurate prediction, yet labeled data is scarce because such events are rare and costly to annotate. We introduce HEPA (Horizon-conditioned Event Predictive Architecture), built on two key principles. First, a causal Transformer encoder is pretrained via a Joint-Embedding Predictive Architecture (JEPA): a horizon-conditioned predictor learns to forecast future representations rather than future values, forcing the encoder to capture predictable temporal dynamics from unlabeled data alone. Second, we freeze the encoder and finetune only the predictor toward the target event, producing a monotonic survival cumulative distribution function (CDF) over horizons. With fixed architecture and optimiser hyperparameters across all benchmarks, HEPA handles water contamination, cyberattack detection, volatility regimes, and eight further event types across 11 domains, exceeding leading time-series architectures including PatchTST, iTransformer, MAE, and Chronos-2 on at least 10 of 14 benchmarks, with an order of magnitude fewer tuned parameters and, on lifecycle datasets, an order of magnitude less labeled data.
Authors: Xiaohua Zhan, Kazuki Egashira, Robin Staab, Mark Vero, Martin Vechev
Abstract: LLM quantization has become essential for memory-efficient deployment. Recent work has shown that quantization schemes can pose critical security risks: an adversary may release a model that appears benign in full precision but exhibits malicious behavior once quantized by users. However, existing quantization-conditioned attacks have been limited to relatively simple quantization methods, where the attacker can estimate weight regions that remain invariant under the target quantization. Notably, prior attacks have consistently failed to compromise more popular and sophisticated schemes, limiting their practical impact. In this work, we introduce the first quantization-conditioned attack that consistently induces malicious behavior that can be triggered by a broad range of advanced quantization techniques, including AWQ, GPTQ, and GGUF I-quants. Our attack exploits a simple property shared by many modern quantization methods: large outliers can cause other weights to be rounded to zero. Consequently, by injecting outliers into specific weight blocks, an adversary can induce a targeted, predictable weight collapse in the model. This effect can be used to craft seemingly benign full-precision models that exhibit a wide range of malicious behaviors after quantization. Through extensive evaluation across three attack scenarios and LLMs, we show that our attack achieves high success rates against a broad range of quantization methods on which prior attacks fail. Our results demonstrate, for the first time, that the security risks of quantization are not restricted to simpler schemes but are broadly relevant across complex, widely-used quantization methods.
Authors: YongKyung Oh
Abstract: State-of-the-Art (SOTA) claims pervade Artificial Intelligence (AI) and Machine Learning (ML) research. These claims rest on benchmark evaluations, where models are ranked by aggregate scores across tasks. Public benchmarks or leaderboards are the most visible instance, but the same structure appears in paper tables throughout the literature. However, such minimal evidence often cannot support these strong claims. We identify a widespread claim-evidence gap in AI benchmarking. Claiming SOTA carries implicit assumptions beyond mean score superiority, suggesting that a model meaningfully outperforms alternatives across most tasks. However, a marginal improvement in the mean score merely indicates a top average rank rather than true superiority. Analyzing ten cross-domain benchmarks from public leaderboards, we found that in more than half of top-model comparisons, at least one commonly assumed property of superiority does not hold. These properties include meaningful effect size, consistency across tasks, or robustness to dataset removal. Instead, aggregate gains are frequently driven by outlier datasets. This fragility persists even in benchmarks with many tasks. We argue that claim language should reflect the strength of the underlying evidence. This requires no additional experiments, only honest reporting of what results actually show, enabling more precise and interpretable comparisons across models.
Authors: Yujie Lin, Chengyi Yang, Zhishang Xiang, Yiping Song, Jinsong Su
Abstract: Large language models inevitably retain sensitive information, defined as inputs that may induce harmful generations, due to training on massive web corpora, raising concerns for privacy and safety. Existing machine unlearning methods primarily rely on retraining or aggressive fine-tuning, which are either computationally expensive or prone to degrading related knowledge and overall model utility. In this work, we reformulate machine unlearning as a precise knowledge re-mapping problem via model editing. We propose ZeroUnlearn, a few-shot unlearning framework. It overwrites sensitive inputs by mapping them to a neutral target state and removing their original representations. ZeroUnlearn enforces representational orthogonality through a multiplicative parameter update with a closed-form solution, enabling efficient and targeted unlearning. We further extend ZeroUnlearn to a gradient-based variant for multi-sample unlearning. Experiments demonstrate that our approach outperforms existing baselines while preserving general model utility. Our code is available at the github: https://github.com/XMUDeepLIT/ZeroUnlearn.
Authors: Nuredin Ali Abdelkadir, Anjali Ratnam, Zeerak Talat, Stevie Chancellor
Abstract: Social media text data are often used to train Machine Learning (ML) models to identify users exhibiting high-risk mental health behaviors. However, sharing this sensitive data poses privacy risks and limits the growth of benchmark datasets. We comprehensively evaluate whether privacy-preserving ML techniques can enable safer data sharing while preserving performance. Specifically, we apply federated learning (FL) and Differentially Private FL for two widely-studied mental health prediction tasks: depression detection on X (Twitter) and suicide crisis detection on Reddit. We simulate realistic data-sharing scenarios by treating each user as a client in a non-IID setting, evaluating across different client fractions, aggregation strategies, and privacy budgets. While FL achieves comparable performance to centralized training (centralized F1 = 85.63; best FL model F1 = 83.16) on depression identification, we find that Differentially Private FL has a large performance-privacy trade-off (up to F1 = 27.01 drop) even with low levels of noise (epsilon = 50). This is due to the distortion of highly informative yet sparse mental health linguistic markers related to mental health, like health topics and emotion words. This research empirically demonstrates the potential and limitations of current privacy preservation techniques for mental health inference tasks.
Authors: Ricardo Diaz-Rincon, Muxuan Liang, Adolfo Ramirez-Zamora, Benjamin Shickel
Abstract: Effective medication management in Parkinson's Disease (PD) is challenging due to heterogeneous disease progression, variable patient response, and medication side effects. While AI models can forecast levodopa equivalent daily dose (LEDD) as a measure of medication needs, standard uncertainty quantification often fails to communicate the reliability of these predictions, treating high and low confidence clinical decisions identically. We introduce CASCADE (Calibrated Adaptive Scaling via Conformal And Distributional Estimation), a novel conformal prediction framework that propagates epistemic uncertainty from a screening classifier to adapt downstream predictions. Unlike standard conformal methods that rely on auxiliary residual regression, we leverage epistemic uncertainty from a primary classification task (identifying whether a medication change is needed) to dynamically scale the prediction intervals of a secondary regression task (predicting how much change). By mapping Venn-Abers multi-probabilistic uncertainty directly to non-conformity scores, our framework achieves continuous risk adaptation. We demonstrate that this ``cascade effect'' produces highly efficient intervals for confident patients (38.9% narrower than standard conformal baselines) while automatically expanding intervals to ensure robust coverage for uncertain cases, bridging the gap between discrete clinical decision-making and continuous dose forecasting in PD.
Authors: Jiachen Ma, Jiawen Zhang, Xiangtian Li, Bo Zou, Chaochao Lu, Chao Yang
Abstract: While Large Language Models (LLMs) demonstrate remarkable capabilities, they remain susceptible to sophisticated, multi-step jailbreak attacks that circumvent conventional surface-level safety alignment by exploiting the internal generation process. To address these vulnerabilities, we propose Reflector, a principled two-stage framework that internalizes self-reflection within the generation trajectory. Reflector first leverages teacher-guided generation to produce high-quality reflection data for supervised fine-tuning (SFT), establishing structured reflection patterns. It subsequently uses Reinforcement Learning (RL) with outcome-driven and reward-validity supervision to instill robust, autonomous self-reflection capabilities. Empirical results show that Reflector achieves Defense Success Rates (DSR) exceeding 90% against complex indirect attacks while generalizing robustly across diverse threat scenarios. Notably, the framework enhances both task-specific and general utility, yielding a 5.85% gain on GSM8K alongside improved performance on knowledge-intensive benchmarks. By internalizing trajectory-level safety, Reflector overcomes the fundamental limitations of surface alignment without significant computational overhead, offering an efficient and scalable solution for the development of safe and capable LLMs.
Authors: William Smits
Abstract: Decision trees assign identical confidence to instances near and far from each split threshold. We introduce ternary decision trees, which augment each split node with an uncertainty zone of half-width delta. A decision-theoretic framework characterises the optimal zone width delta* as the solution to a node-local cost-minimisation problem; four formal properties are established: accuracy decomposition, a sufficiency condition for decided accuracy improvement, an exact efficiency characterisation (eta = Dec-Acc minus Acc_u, the accuracy gap between decided and boundary-uncertain predictions), and asymptotic consistency of the margin method. Instances within the zone receive predictions by weighted blending of both child subtrees and are flagged as boundary-uncertain. We propose and evaluate five delta-estimation methods: quality-plateau (plateau width of the split criterion curve), class-overlap (empirical class-distribution overlap), gain-ratio (split quality relative to split entropy), node-bootstrap (threshold variance under node-level resampling), and margin (SVM-inspired distance to the nearest cross-class training example). All methods reuse statistics already computed during standard CART split finding, requiring no external noise specification. Evaluated across 71 of the 72 OpenML-CC18 datasets with 5-fold cross-validation, all five methods with probabilistic routing significantly outperform standard CART on decided accuracy (Wilcoxon signed-rank, p < 0.001). The margin method achieves the best efficiency (0.104 accuracy gain per unit flagging rate), wins on 42 of 72 datasets, and requires zero hyperparameters. Analysis on Breiman synthetic benchmarks confirms margin is self-calibrating on clean data. On mammography, node-bootstrap achieves +0.71% decided accuracy by flagging 10.8% of cases as boundary-uncertain.
Authors: Trinh Pham, Viet Huynh, Hongzhi Yin, Quoc Viet Hung Nguyen, Thanh Tam Nguyen
Abstract: The rapid advancement of machine learning has led to an unprecedented expansion of model ecosystems, making it increasingly difficult to assess the reliability of newly released models on unseen and unlabeled data. Existing evaluation pipelines typically rely on costly annotation, repeated fine-tuning, or assumptions that do not generalize well to new models. We introduce MetaEvaluator, a cost-effective, model-agnostic framework for fast, label-free evaluation of unseen models across diverse architectures and modalities. MetaEvaluator meta-learns over a pool of reference models to acquire an effective initialization for accurate assessment of unseen models, thereby amortizing evaluation cost and eliminating the need for per-model retraining. To the best of our knowledge, this is the first model-agnostic framework that evaluates new models on unlabeled datasets. Extensive experiments demonstrate that MetaEvaluator delivers stable and accurate performance estimates at substantially lower cost than conventional approaches, enabling scalable benchmarking on unlabeled datasets for emerging models. The code is available at: https://github.com/phkhanhtrinh23/MetaEvaluator.
Authors: Xiaofeng Lin, Han Bao, Hisashi Kashima
Abstract: Estimating individual treatment effect (ITE) from observational graph data is crucial for decision-making in the fields such as commerce and medicine. This task is challenging due to interference, where individual outcomes can be influenced by the treatments and covariates of their neighbors. Existing methods attempt to model such interference for accurate ITE estimation. However, a critical issue is often overlooked: differentiated networked effect (DNE), an effect caused by local networks consisting of neighbors with varying importance and scales. Capturing DNE is vital; otherwise, we will end up with imprecise ITE estimation due to an erroneous characterization of interference, which can result in misguided decisions. To address this challenge, we propose a novel interference modeling mechanism that incorporates two partial attention mechanisms and a message amplifier. The partial attention mechanisms automatically estimate the importance of different neighbors in contributing to interference, while the message amplifier adjusts the results of the interference modeling mechanism based on the scale of neighbors, all of which enables the model to capture DNE. Experiments on three real-world graphs demonstrate that our methods outperform existing approaches for ITE estimation from graph data, which corroborates the importance of explicitly capturing DNE.
Authors: Dingling Yao, Andrea Polesello, Adeel Pervez, Caroline Muller, Francesco Locatello
Abstract: While Vision Foundation Models (VFMs) excel at predictive tasks on satellite imagery, their performance can arise from visual correlations rather than underlying structural invariants, making even perception-based out-of-distribution accuracy a poor proxy for scientific utility. As a result, models may look correct without reasoning correctly, a discrepancy we term the Perception-Physics Paradox. To address this gap, we introduce scientific alignment as an implicit objective for representation learning in scientific domains. We study a principled, testable aspect of scientific alignment through structural isomorphism, which requires latent representations to uniquely identify physical systems up to a linear reparameterization. This perspective induces a hierarchy of necessary conditions and yields a systematic probing protocol for physical and causal interpretability. To operationalize this framework, we release TC-Bench, a global, reproducible benchmark dataset with an automated construction pipeline for tropical cyclone research, and show that current VFMs rely on visual shortcuts that collapse in intense regimes, indicating that scientific alignment does not arise as a natural byproduct of scaling alone.
Authors: Shali Jiang, Hua Zheng, Boyang Liu, Laming Chen, Kenny Lov, Chuanqi Xu, Lisang Ding, Qinghai Zhou, Can Cui, Xiaolong Liu, Xiaoyi Liu, Yasmine Badr, Xin Xu, Jiyan Yang, Ellie Dingqiao Wen, Gerard Jonathan Mugisha Akkerhuis, Chenxiao Guan, Rong Jin, Ruichao Qiu, Xian Chen, Shifu Xu, Zhehui Zhou, Ping Chen, Rui Yang, Haicheng Chen, Xiangge Meng, Song Zhou, Dharak Kharod, Shuyu Xu, Qiang Jin, Qiao Yang, Wankun Zhu, Qin Huang, Yuzhen Huang, Darren Liu, Parish Aggarwal, Hui Zhou, Erzhuo Wang, Shuo Chang, Xiaorui Gan, Wenlin Chen, Santanu Kolay, Huayu Li
Abstract: Knowledge distillation (KD) transfers a single scalar prediction from a large foundation model (FM) to compact vertical models (VMs), suffering from diminishing transfer ratio -- the fraction of FM improvement captured by the VM -- as a single scalar cannot convey the rich intermediate knowledge that larger FMs learn. To address this bottleneck, we propose LoopFM (Learning frOm HistOrical RePresentations of FM), a framework that opens a high-bandwidth transfer channel by structuring FM intermediate embeddings as input features (e.g., user history sequence) for downstream VMs, without requiring real-time FM inference at serving and architectural coupling between FM and VM. We provide a theoretical framework for LoopFM with a gain decomposition and transfer-ratio analysis. On three public benchmarks, LoopFM demonstrates strong AUC improvements (e.g., 6%+ on TaobaoAd) and complementary knowledge transfer capability with KD. On industrial-scale systems (billions of examples, trillion-parameter FMs), LoopFM approximately doubles the knowledge transfer ratio on top of KD, delivering a +0.5% conversion improvement in the first half after its initial launch, and +1.03% and +1.22% conversion improvement from two individual launches in the subsequent half.
Authors: Xingrun Xing, Haoqing Wang, Boyan Gao, Ziheng Li, Yehui Tang
Abstract: On-Policy Distillation (OPD) is a fundamental technique for efficient post-training of large language models (LLMs), with broad applications in agent learning, multi-task enhancement, and model compression. However, OPD training becomes unstable when the teacher and student distributions differ substantially, as teacher supervision on student-generated tokens may yield unreliable policy gradients and even cause optimization failure. This work addresses reliable on-policy token-level supervision through credit assignment strategies, and proposes Trust Region On-Policy Distillation, TrOPD. It features the following characteristics: 1) Trust-Region On-Policy Learning: TrOPD performs OPD only in regions where the teacher provides reliable supervision, mitigating the optimization difficulty of the K1 reverse-KL estimator under distribution mismatch. 2) Outlier Estimation: For outlier regions, we explore gradient clipping, masking, and forward-KL estimation to reduce the adverse effects of unreliable supervision. 3) Off-Policy Guidance: The student continues generation from teacher prefixes and uses forward KL to imitate off-policy guidance, encouraging on-policy exploration toward reliable regions. Experiments show that TrOPD consistently outperforms SoTA OPD baselines, including OPD, EOPD, and REOPOLD, across mathematical reasoning, code generation, and general-domain benchmarks.
Authors: Chad A. Capps
Abstract: We present CART (Context-Anchored Recurrent Transformer), a parameter-efficient language model that reuses a single shared core block R times across depth. Unlike prior looped transformers that recompute key-value tensors at every iteration, CART computes K and V once from a multi-layer prelude and has the recurrent core cross-attend to those frozen tensors via multi-head latent attention. A learned Linear Time-Invariant (LTI) gate keeps the recurrence stable: its spectral radius settles in a narrow band (rho in [0.79, 0.83]) across all 36 fully-trained configurations. We evaluate CART on single consumer GPUs in two stages: a 64-configuration screen at 3,000 steps, then 36 configurations (P=6, R in {6,8,10}, three seeds) trained for 30,500 steps (~1B tokens). Two patterns hold across widths d in {256,512,768,1024}: prelude depth P dominates loop count R, and the Stage-1 ranking of R reverses at full training (R=6 becomes best at d>=512). At the binding d=1024 parameter-parity test, CART does not beat a parameter-matched dense baseline, losing by 1-2% at stored-parameter parity and by ~10% at effective-parameter parity. Diagnostic ablations split the effective-parameter gap into ~5% from weight sharing and a residual ~5% from the heterogeneous prelude/anchor/core/coda framing; the recurrent-core machinery (hyper-connections, LTI gate, loop-index embedding) is individually vestigial. Variable-R inference degrades on both sides of the trained R, a negative result for test-time depth scaling under this recipe.
Authors: Zewen Liu, Zhan Shi, Yisi Sang, Bing He, Minhua Lin, Tianxin Wei, Dakuo Wang, Benoit Dumoulin, Wei Jin, Hanqing Lu
Abstract: Auto-harness systems such as A-Evolve, GEPA, and Meta-Harness improve LLM agents by optimizing prompts, skills, tools, memories, and supporting infrastructure from execution feedback, but they are typically evaluated on fixed offline benchmarks. Real deployments instead present open-ended task streams: histories grow without a fixed endpoint, heterogeneous tasks require different harnesses, and problem distributions shift over time. These challenges make a single repeatedly and densely updated harness brittle, causing performance degradation as accuracy peaks early and then declines. This motivates sustained harness construction with task-wise adaptation. We introduce Adaptive Auto-Harness, a framework and system for such streams. The framework decomposes the gap to an oracle harness into evolution loss and adaptation loss. The system addresses these losses with a stateful multi-agent evolver, a harness tree with solve-time routing, and human-steering hooks for cases where history lacks the needed signal. Across prediction-market, security-competition, and event-forecasting streams, Adaptive Auto-Harness outperforms five existing auto-harness baselines and ablations attribute gains to better construction, routing, or targeted human steering. Code is available in \href{https://github.com/A-EVO-Lab/a-evolve/tree/release/adaptive-auto-harness}{Link}.
URLs: https://github.com/A-EVO-Lab/a-evolve/tree/release/adaptive-auto-harness
Authors: Vigneshwar Hariharan, Chithra Reghuvaran, Arlene John, Nhat Pham, Omer Rana, Deepu John, Ganesh Neelakanta Iyer
Abstract: Epilepsy is one of the most common neurological disorders globally, characterized by recurring seizures and significantly impacting the quality of life. Despite advancements in diagnostic techniques, the mitigation of risks faced by epilepsy patients remains challenging due to the unpredictability of seizure events. An accurate forecast of seizure onset helps to reduce risks in epilepsy patients. In this paper, we propose EEG-FuseFormer, a transformer-based feature fusion framework for seizure-onset prediction that combines intermediate features extracted from Convolutional Neural Networks-Long Short-Term Memory (CNN-LSTM) and ResNet-18 networks. The CNN-LSTM architecture captures both spatial and temporal features directly from the raw signal, whereas the ResNet-18 extracts features from the Short-Time Fourier Transform (STFT) representation of the EEG signals. Fusion is carried out using a transformer encoder, and the final prediction is generated using fully connected dense layers. The CHB-MIT dataset was used to validate the proposed model. The results show that the proposed model achieves a mean recall of 98.85% and outperforms most of the state-of-the-art methods. This study evaluates the ability of the proposed feature fusion model to generalize in cross-patient testing scenarios. Fine-tuning pre-trained models on limited target patient data (target adaptation) within the cross-patient validation framework results in higher recall, precision, and F1-score metrics in comparison to the conventional cross-patient validation approach. Finally, the runtime-based computational complexity of the model is assessed across diverse hardware platforms to highlight the performance-complexity trade-off.
Authors: Zhou Jiang, Yandong Wen, Zhen Liu
Abstract: One-step text-to-image generators are attractive for deployment because they generate an image with a single forward pass, but preference finetuning them remains difficult: standard alignment methods often rely on policy likelihoods, denoising trajectories, differentiable reward gradients, or test-time optimization. We propose Drifting Preference Optimization (DrPO), an online preference-finetuning method for deterministic one-step generators. For each prompt, DrPO samples candidates from the current generator, ranks them with a target reward, and uses high- and low-scoring samples to synthesize a feature-space update direction. The update is a non-parametric dipole preference field plus a reference drift estimated from the frozen base generator, and is optimized through a detached feature-space regression target. The target reward is used only for ranking, so DrPO can train with large, black-box, or non-differentiable rewards while inference remains a single generator call. We evaluate DrPO on SD-Turbo and SDXL-Turbo with multiple target rewards and benchmarks, including HPSv3 and GenEval. DrPO improves alignment over reward-gradient-free one-step preference baselines and reduces HPSv3 training computation by $3.51\times$ under the matched effective-batch setting by removing reward-model backpropagation. Initial offline experiments suggest that sample-based gradient synthesis can also be used beyond online reward ranking.
Authors: Marc Pinet, Julien Cumin, Samuel Berlemont, Dominique Vaufreydaz
Abstract: Many recent multivariate time series anomaly detection (MTSAD) models incorporate cross-channel modeling, under the implicit assumption that the structure of anomalies may be spread across multiple channels. We evaluate this assumption on eight widely used public benchmarks by introducing a per-segment diagnostic framework that flags, for each labeled anomaly, whether at least one channel deviates individually from its normal history, whether the cross-channel correlation structure changes, or both. The framework shows that no cross-channel rupture occurs without an accompanying univariate deviation across a range of reasonable thresholds. A complementary metric also reveals that on six of the eight benchmarks, at least half of the labeled anomaly segments deviate univariately on 89% to 100% of their timesteps, reaching 100% on three of these datasets. To verify that our framework captures cross-channel structure when present, we construct synthetic data of phase-shifted sinusoidal channels with shared noise. Each anomalous segment is altered through one of two channel-wise corruptions that preserve the per-channel marginal distribution while breaking cross-channel structure, and our framework correctly characterizes these segments as cross-channel-only. On these data, channel-dependent (CD) models successfully exploit the cross-channel signal whereas channel-independent (CI) ones fail. The CI/CD comparison of a recent SOTA detector on real benchmarks further confirms that CD modeling brings no measurable gain. We conclude that current MTSAD benchmarks are unsuitable for validating cross-channel modeling capabilities, and we call for the development of more structurally diverse evaluation sets. The code for this study is publicly available.
Authors: Jose Marie Antonio Mi\~noza, Rex Gregor Laylo, Sebastian C. Iba\~nez
Abstract: Deep learning weather models now match numerical weather prediction accuracy while running orders of magnitude faster, but produce deterministic forecasts without uncertainty estimates, a critical gap for high-stakes decisions during extreme weather events. This paper proposes Neural Tangent Kernel-based uncertainty quantification (NTK-UQ) using last-layer empirical features. Theoretical analysis predicts that UQ quality is architecture-dependent through two mechanisms. First, a variance collapse mechanism explains when UQ fails: when the eigenvalue truncation rank approaches the effective rank of the feature space, the GP correction term consumes nearly all prior variance, destroying discrimination between tropical cyclones and routine conditions; architectures with concentrated spectra (spectral operators) require aggressive truncation ($k \leq 10$), while attention-based models tolerate full-rank computation. Second, decomposition performance depends on the non-Gaussian, heavy-tailed structure of extreme weather: Independent Component Analysis exploits higher-order statistics (kurtosis, negentropy) to isolate heavy-tailed extreme-event features, achieving higher discrimination than singular value decomposition, which captures only second-order variance. A data-driven selection rule chooses ICA or SVD from the feature eigenspectrum concentration ratio, correctly prescribing the superior decomposition for all four evaluated architectures. Compared to split conformal prediction (the natural post-hoc baseline), NTK-UQ achieves 31--37\% sharper prediction intervals at 90\% coverage, and uniquely produces \emph{adaptive} intervals that scale with extreme event severity, which conformal prediction cannot achieve by construction. The framework requires no retraining; inference-time uncertainty requires only a single matrix-vector product per sample.
Authors: KeXiang Mao, FanCheng Li
Abstract: We propose a novel diffusion model, Flicker-DDPM, which incorporates flicker (1/f) noise inspired by self-organized criticality (SOC), a widely observed phenomenon in natural systems. Unlike denoising diffusion probabilistic models (DDPMs), which employ isotropic white noise in the forward process, Flicker-DDPM adopts colored noise with power-law spectra to better match the spectral statistics of natural images, whose power spectra typically follow P(k) proportional to 1/k^{\alpha}. To this end, we develop a colored-noise module based on a spatial correlation kernel, {\sigma}(d) = (d + 1)^{-\eta}, and theoretically establish that adjusting {\eta} controls the spectral exponent {\alpha} of the generated 1/f{\alpha} noise, enabling adaptation to datasets with diverse spectral characteristics. On CIFAR-10, Flicker DDPM matches or surpasses the generation quality of a standard DDPM baseline using 3.33 times fewer sampling steps, with negligible additional computational cost per step. We further develop a frequency-domain linear theory demonstrating that spectrally matched colored noise linearizes the reverse trajectory, theoretically explaining the observed sampling acceleration.
Authors: Tao Xie, Zexi Tan, Haoyi Xiao, Mengke Li, Yiqun Zhang, Yang Lu, Cuie Yang, Yiu-ming Cheung
Abstract: Multivariate time series classification (MTSC) is pivotal in high-stakes domains, such as clinical diagnosis and industrial fault detection, where safe deployment necessitates transparent decision-making. However, isolating the temporal segments that drive model predictions is challenging because discriminative signals in real-world time series are typically sparse, heterogeneous, and heavily obscured by background noise. This paper, therefore, proposes AnchorMoE, an interpretable-by-construction classification framework. Built upon a Mixture-of-Experts (MoE) architecture, AnchorMoE encodes multi-view representations of local patches and routes them to specialized experts, ensuring that the final prediction is formulated as an exact additive decomposition over the input segments, facilitating ante-hoc transparency rather than relying on post-hoc estimations. To maintain the reliability of this decomposition under sparse signal distributions, we introduce a geometric orthogonality constraint that penalizes representational redundancy, compelling distinct experts to specialize in heterogeneous predictive patterns. Furthermore, an uncertainty-aware reliability gate is designed to dynamically calibrate the contribution of each segment, effectively suppressing residual background noise. Extensive experiments on real-world and synthetic benchmarks demonstrate that AnchorMoE achieves highly competitive classification performance while faithfully grounding its decisions in the raw time series.
Authors: Xianliang Li, Zihan Zhang, Weiyang Liu, Han Bao
Abstract: Muon has recently demonstrated strong empirical performance in large language model training, but the theoretical role of momentum in Muon remains unclear. Existing analyses of Muon either remove momentum to study spectral updates in isolation, or retain momentum without explaining why it improves empirical performance. Our work bridges this gap by showing momentum in Muon acts as a spectral filter. Under a structured signal-plus-perturbation gradient model, we prove that momentum suppresses perturbations while preserving the dominant signal, thereby enlarging the spectral gap between them. This enlarged gap stabilizes the singular subspaces of the matrix passed to Muon's orthogonalization step, making the resulting update more reliable. We further show that applying momentum before orthogonalization achieves provably stronger alignment with the signal component of the gradient than either reversing this order or simply removing momentum. Experiments across diverse tasks, including LLM pretraining, support our theoretical analysis. More broadly, our theory offers a starting point for understanding the benefits of momentum in other matrix-based optimizers.
Authors: Bishwas Mandal, Shmuel Berman, Akshay Vegesna, Samip Dahal
Abstract: Multi-epoch training is becoming the standard now that compute is growing faster than the supply of high-quality text. But pretraining a single model saturates within a few passes, long before the compute budget is exhausted. We argue this calls for a conceptual shift from training a single model toward exploring a population of models and aggregating their predictions. We introduce hyper-epoch pretraining (q0), which turns a multi-epoch budget into a population of diverse models whose combined predictions reach a lower validation loss than a single refined model. q0 reduces to three core primitives. A cyclic schedule with anti-correlated learning rate and weight decay collects diverse models from a few parallel trajectories. Chain distillation trains each model against its predecessor so that model quality compounds across the population. A learned prior, fit on a held out set, selects and weights members for any inference budget. On a 1.8B-parameter model trained on 100M FineWeb tokens, q0 matches a strong 256-epoch ensemble baseline using only ~56 epochs (~4.6x fewer), or ~67 epochs (~3.8x fewer) when matched to the baseline's ensemble size, and continues to improve beyond it. These gains reach cumulative ~12.9x data efficiency under the Slowrun setting and transfer to downstream benchmarks. Crucially, the optimal allocation shifts with the budget, so we give prescriptive recipes for how to spend a given epoch budget to maximize generalization, from a single epoch up to the largest budgets.
Authors: Yuri Faenza, Swati Gupta, Aapeli Vuorinen, Xuan Zhang
Abstract: Problem definition: Traditionally, New York City's top 8 public schools have selected candidates solely based on their scores in the Specialized High School Admissions Test (SHSAT). These scores are known to be impacted by socioeconomic status of students and test preparation received in middle schools, leading to a massive filtering effect in the education pipeline. The classical mechanisms for assigning students to schools do not naturally address problems like school segregation and class diversity, which have worsened over the years. The scientific community, including policymakers, have reacted by incorporating group-specific quotas and proportionality constraints, with mixed results. The problem of finding effective and fair methods for broadening access to top-notch education is still unsolved. Methodology/results: We take an operations approach to the problem different from most established literature, with the goal of increasing opportunities for students with high economic needs. Using data from the Department of Education (DOE) in New York City, we show that there is a shift in the distribution of scores obtained by students that the DOE classifies as "disadvantaged" (following criteria mostly based on economic factors). We model this shift as a "bias" that results from an underestimation of the true potential of disadvantaged students. We analyze the impact this bias has on an assortative matching market. We show that centrally planned interventions can significantly reduce the impact of bias through scholarships or training, when they target the segment of disadvantaged students with average performance.
Authors: Ziwei Cong, Jia Liu, Puneet Manchanda
Abstract: Livestreaming has evolved into a thriving industry where creators can directly monetize and engage with their audiences and followers. In practice, creators and platforms typically concentrate their marketing efforts on the period leading up to the livestream. However, livestreaming events naturally transition into recorded formats once the event concludes, creating potential "residual" opportunities for monetization. This study systematically examines consumer demand for live events throughout the entire livestream life-cycle, using data from a large livestreaming platform that allows consumers to purchase the recorded version of a paid live event after the livestream ends. We find that the demand is surprisingly more price-sensitive during the pre-livestream period compared to the post-period. This is partly driven by two mechanisms: consumer self-selection (infrequent consumers who may have missed the live events exhibit a higher willingness to pay for recorded versions) and quality uncertainty (consumers face higher uncertainty in event quality during the pre-period than in the post-period). Our findings generate implications for the pricing and targeting strategies in livestreaming markets.
Authors: Sylvia Klosin, Jaume Vives-i-Bastida
Abstract: Climate and environmental applications increasingly rely on high-dimensional prediction from remote sensing and other scientific data. Neural networks (NN) can deliver strong accuracy in these settings, but they are often hard to audit and hard to align with domain knowledge. As an alternative, we propose bagged polynomial regression with random projections (BPR), an econometrics-native ensemble that averages many regularized low-degree polynomial models fit on randomly selected covariate groups. We provide novel finite-sample and asymptotic risk bounds and show how covariate partitioning can improve rates for smooth target functions by controlling dictionary basis growth. Rate improvements may be particularly relevant for the estimation of marginal effects. In an application to satellite-based crop classification using optical and radar imagery, BPR matches NN accuracy while remaining straightforward to diagnose. We provide practical transparency tools, coefficient summaries and partial-dependence diagnostics, that show BPR captures intuitive feature relationships that NNs do not.
Authors: Esteban Real, Mirko Rossini, Connal de Souza, Manav Garg, Moritz Firsching, Quoc V. Le, Yao Chen, Akhil Verghese, Ekin Dogus Cubuk, David H. Park
Abstract: Transcendental functions, such as the exponential, are central to scientific computing, yet they cannot be natively calculated by digital hardware. Instead, computers must approximate these functions by combining basic operations, such as $\{+, -, \times, \div\}$, using methods like Taylor series. These methods were developed over centuries by mathematicians, who focused on approaches that could attain arbitrary accuracy. However, computers can handle most applications by using only finite-precision types, like float32, where any accuracy beyond the type's precision is effectively discarded. We explore, therefore, whether forgoing arbitrary accuracy can lead to the discovery of more efficient approximations. The evolutionary method of symbolic regression is particularly suitable, as it can search for arbitrary operation combinations and can optimize non-differentiable objectives, such as the number of operations used. Our results show that evolution can discover computer programs that outperform established methods in this setting, despite having no prior mathematical knowledge beyond the calculation of the basic operations. Starting from empty code, symbolic regression constructs programs representing novel mathematical expressions. In particular, we discovered a 10-operation program that approximates the exponential function to 14 significant figures, exceeding the accuracy of previously known approximations of this size by more than 6 orders of magnitude.
Authors: Guruprasad Viswanathan Ramesh, Ashish Hooda, Shimaa Ahmed, Harrison J Rosenberg, Ramya Korlakai Vinayak, Kassem Fawaz
Abstract: Face recognition (FR) systems are widely deployed in critical applications, making their reliability and robustness across diverse populations and conditions essential. Standard evaluation of FR systems typically relies on datasets such as LFW to estimate average recognition accuracy. Some benchmarks also capture coarse-grained intra-identity variations such as aging, pose, and lighting. However, human faces undergo more fine-grained changes, including appearance changes such as hairstyles and makeup, that are underrepresented in existing benchmarks. Counterfactual evaluation provides a method to assess FR robustness under such fine-grained variations. Existing counterfactual face datasets synthesized with image generators, however, are limited in attribute coverage due to the use of humans for verification in the pipeline. We propose CounterFace, a new counterfactual evaluation dataset comprising 20 facial attributes and 8 demographic factors, exceeding prior synthetic face datasets by 14 attributes and 2 demographics. The dataset is generated using a fully automated pipeline based on off-the-shelf image generators with custom verifiers, removing human need for verification. CounterFace contains 11,821 counterfactual face pairs, and a post-hoc user study confirms the faithfulness of the generated counterfactuals. We evaluate two commercial and four open-source FR systems (AWS Rekognition, Face++, AdaFace, MagFace, ArcFace, FaceNet) across 160 attribute-demographic combinations. Our dataset helps in the isolation of precise failure modes for individual systems unlike standard evaluation benchmarks. Results indicate that the performance degradation varies across attributes and demographics for all six systems and occluding attributes (e.g., facemask and facial hair) universally degrade performance.
Authors: Xuetong Li, Shuyuan Wu, Bin Du, Hansheng Wang
Abstract: We systematically study several network-based Expectation-Maximization (EM) algorithms for the Gaussian mixture model within decentralized federated learning (DFL). Our theoretical investigation shows that directly extending the classic EM algorithm to DFL leads to a biased estimator when data are heterogeneously distributed across sites. To address this, we introduce a momentum network EM (MNEM) algorithm, which integrates information from both current and historical estimators from previous DFL iterations. We further develop a semi-supervised MNEM (semi-MNEM) algorithm, which utilizes information provided by partially labeled data. Rigorous theoretical analysis demonstrates that the MNEM estimator can achieve the same asymptotic efficiency as the whole-sample estimator under appropriate regularity conditions, even with heterogeneous data. Moreover, the semi-MNEM estimator significantly improves the convergence speed of the MNEM algorithm, even if different mixture components are poorly separated. Extensive simulations are conducted, and a widely used chest X-ray dataset is analyzed to demonstrate the finite-sample performance of the proposed methods.
Authors: Michele Marzollo, Jiawei Zhuang, Niklas Roemer, Niklas Zwingenberger, Lorenz K. M\"uller, Lukas Cavigelli
Abstract: Speculative Decoding has emerged as a popular technique for accelerating inference in Large Language Models. However, most existing approaches yield only modest improvements in production serving systems. Methods that achieve substantial speedups typically rely on an additional trained draft model or auxiliary model components, increasing deployment and maintenance complexity. This added complexity reduces flexibility, particularly when serving workloads shift to tasks, domains, or languages that are not well represented in the draft model's training data. We introduce Simply-Scalable Speculative Decoding (SSSD), a training-free method that combines lightweight n-gram matching with hardware-aware speculation. Relative to standard autoregressive decoding, SSSD reduces latency by up to 2.9x. It achieves performance on par with leading training-based approaches across a broad range of benchmarks, while requiring substantially lower adoption effort--no data preparation, training or tuning are needed--and exhibiting superior robustness under language and domain shift, as well as in long-context settings.
Authors: Shuguo Jiang, Fang Xu, Chuandong Liu, Hong Tan, Shengyang Li, Lei Yu, Wen Yang, Sen Jia, Gui-Song Xia
Abstract: Remote sensing change detection based on a map reference and an up-to-date image boosts timely observation of the Earth's surface when earlier images are lacking for comparison. However, the semantic gap between high-level map categories and low-level image details hinders the extraction of homogeneous features for robust temporal association in change detection. Unlike conventional approaches that either compare pixel-level visual similarity or propagate segmentation errors, \textcolor{black}{we propose a novel framework, \underline{La}nguage-\underline{VI}sion \underline{D}iscriminator for d\underline{E}tecting changes, LaVIDE}, which bridges the semantic gap between high-level map categories and low-level image details using language as an intermediary. Specifically, we introduce {\it restricted prompt learning} to generate context-aware textual prompts that align map semantics with image content, and an {\it object-aware embedding enhancement} strategy to integrate object-level attributes (e.g., shape, boundary) into map representations. These components enable robust cross-modal alignment within a unified language-vision feature space. Extensive experiments on four benchmarks, DynamicEarthNet, HRSCD, BANDON, and SECOND, demonstrate that LaVIDE outperforms state-of-the-art methods by significant margins, achieving $18.4\%$ and $5.2\%$ improvements in IoU on multi-class and single-class change detection tasks, respectively. Our framework not only advances the accuracy of map-image change detection but also provides a practical solution for rapid map updating with minimal human intervention, promising broad impacts in urban planning, disaster assessment, and ecological conservation. Code and datasets are available at: https://github.com/ShuGuoJ/LAVIDE.git.
Authors: Zihao Li, Dongqi Fu, Hengyu Liu, Jingrui He
Abstract: Local/seeded clustering aims to find a compact cluster near the given starting instances. While most existing studies on graph clustering assume a discrete graph setting (i.e., unweighted, undirected graphs without self-loops), real-world graphs can be more complex. In this paper, we extend the classic non-approximating Andersen-Chung-Lang (ACL) clustering algorithm beyond discrete graphs and generalize its quadratic optimality to a wider range of complex graphs, including weighted, directed, and self-looped graphs and hypergraphs with edge-dependent vertex weights. Specifically, by leveraging PageRank, we propose two algorithms: GeneralACL for graphs and HyperACL for hypergraphs. We prove that, under two mild conditions, both algorithms can identify a quadratically optimal cluster in terms of conductance. Additionally, we provide experiments to validate our theoretical findings. Our code is available at https://github.com/iDEA-iSAIL-Lab-UIUC/HyperACL.
Authors: Wonjun Lee, Riley C. W. O'Neill, Dongmian Zou, Jeff Calder, Gilad Lerman
Abstract: Generative modeling aims to generate new data samples that resemble a given dataset. When using diffusion models for this task, one of the main challenges is solving the problem in the input space, which tends to be very high-dimensional. To address this, recent approaches solve diffusion models in the latent space through an encoder that maps from the data space to a lower-dimensional latent space, improving training efficiency and achieving state-of-the-art results. The variational autoencoder (VAE) is the most commonly used encoder/decoder framework in this domain, known for its ability to learn latent representations and generate data samples. In this paper, we introduce a novel encoder/decoder framework with theoretical properties distinct from those of the VAE, specifically designed to preserve the geometric structure of the data distribution. We demonstrate the significant advantages of this geometry-preserving encoder in the training process of both the encoder and decoder. Additionally, we provide theoretical results proving convergence of the training process, including convergence guarantees for encoder training, and results showing faster convergence of decoder training when using the geometry-preserving encoder.
Authors: Runxiong Wu, Andi Wang
Abstract: Distributed empirical risk minimization (ERM) is often studied through two influential yet seemingly separate families of methods: CoCoA-type algorithms, derived from distributed dual coordinate ascent, and ADMM-type algorithms, derived from consensus and proximal splitting. In this paper, we investigate the connection of the two types of algorithms from a unified primal-dual perspective. We show that consensus ADMM, linearized consensus ADMM, two distributed proximal ADMM variants, and ridge-regularized CoCoA can all be written in a common update form involving a global primal variable and block dual variables. This reformulation makes several previously hidden connections explicit: For ridge-regularized ERM, CoCoA coincides with a particular proximal ADMM scheme at the level of the dual update. Moreover, consensus ADMM on the primal problem is equivalent to proximal ADMM on the dual problem under an explicit parameter mapping together with a sign reversal of the saddle objective; similar correspondences also hold for the linearized variants.These results indicates that the ADMM-type algorithms, when fine tuned, performs at least as good as CoCoA, under ridge regularized ERM problems. The unified view also yields a natural primal-dual gap stopping criterion for consensus ADMM and a unified $O(1/T)$ ergodic convergence analysis for the ADMM-type methods. Experiments on synthetic regression problems and real SVM datasets support the predicted relationships, clarify the role of tuning parameters, and show that suitably tuned ADMM variants can outperform CoCoA in the ridge-regularized setting.
Authors: David Islip, Roy H. Kwon, Sanghyeon Bae, Woo Chang Kim
Abstract: Two-stage stochastic programs (2SPs) are widely used for decision-making under uncertainty, but their practical deployment is often limited by the large number of scenarios needed to approximate the conditional distribution of uncertain outcomes. We study contextual scenario generation: given contextual information, learn to produce a small, user-specified set of surrogate scenarios that, when used as input into the 2SP, lead to high-quality 2SP decisions. Existing scenario generation methods either ignore contextual information or are computationally burdensome in this setting. We propose contextual scenario generation (CSG), which learns a mapping from context to a set of surrogate scenarios. We develop two complementary methodologies: (i) a distributional approach that learns a mapping from context to scenarios by minimizing a kernel-based distance to the conditional distribution, and (ii) a task-based approach that selects the mapping to optimize decision quality via differentiating through a learned surrogate of the downstream 2SP objective. Both approaches are broadly applicable and require only repeated solution of the underlying subproblems and 2SPs defined on the generated scenarios. We provide finite-sample generalization guarantees and demonstrate strong empirical performance across multiple 2SP classes.
Authors: Xingwei Liu, Yuexin Chen, Jin-Ting Zhang, Wangli Xu
Abstract: Identification of joint dependence among several random vectors plays an important role in many statistical applications, where the data may contain sensitive or confidential information. In this paper, we consider the $d$-variable Hilbert-Schmidt independence criterion (dHSIC) in the context of differential privacy. Given that the limiting distribution of the empirical estimate of dHSIC is a complicated Gaussian chaos, constructing tests in the non-private regime is typically based on permutation and bootstrap methods. To detect joint dependence under privacy constraints, we propose a dHSIC-based testing procedure employing a differentially private permutation methodology. We show that our method enjoys privacy guarantees, a valid level, and pointwise consistency, whereas the bootstrap counterpart suffers from inconsistent power. We further investigate the uniform power of the proposed test under the dHSIC and $L_2$ metrics, showing that the proposed test attains the minimax optimal power across different privacy regimes. As a byproduct, we show that the non-private permutation dHSIC test proposed in Pfister et al. (2018) is a special case of our differentially private permutation test, and our results also establish its pointwise and uniform power--thus resolving an open problem from that work. Both numerical simulations and real data analysis in causal inference suggest that our proposed test performs well empirically.
Authors: Wang Yang, Zirui Liu, Hongye Jin, Qingyu Yin, Vipin Chaudhary, Xiaotian Han
Abstract: Recent language models exhibit strong reasoning capabilities, yet the influence of long-context capacity on reasoning remains underexplored. In this work, we hypothesize that current limitations in reasoning stem, in part, from insufficient long-context capacity, motivated by empirical observations such as (1) higher context window length often leads to stronger reasoning performance, and (2) failed reasoning cases resemble failed long-context cases. To test this hypothesis, we examine whether enhancing a model's long-context ability before Supervised Fine-Tuning (SFT) leads to improved reasoning performance. Specifically, we compared models with identical architectures and fine-tuning data but varying levels of long-context capacity. Our results reveal a consistent trend: models with stronger long-context capacity achieve significantly higher accuracy on reasoning benchmarks after SFT. Notably, these gains persist even on tasks with short input lengths, indicating that long-context training offers generalizable benefits for reasoning performance. These findings suggest that long-context modeling is not just essential for processing lengthy inputs, but also serves as a critical foundation for reasoning. We advocate for treating long-context capacity as a first-class objective in the design of future language models.
Authors: Wang Yang, Hongye Jin, Shaochen Zhong, Song Jiang, Qifan Wang, Vipin Chaudhary, Xiaotian Han
Abstract: Long-context capability is considered one of the most important abilities of LLMs, as a truly long context-capable LLM enables users to effortlessly process many originally exhausting tasks -- e.g., digesting a long-form document to find answers vs. directly asking an LLM about it. However, existing real-task-based long-context evaluation benchmarks have two major shortcomings. First, benchmarks like LongBench often do not provide proper metrics to separate long-context performance from the model's baseline ability, making cross-model comparison unclear. Second, such benchmarks are usually constructed with fixed input lengths, which limits their applicability across different models and fails to reveal when a model begins to break down. To address these issues, we introduce a length-controllable long-context benchmark and a novel metric that disentangles baseline knowledge from true long-context capabilities. Experiments demonstrate the superiority of our approach in effectively evaluating LLMs.
Authors: Caner Gocmen, Thodoris Lykouris, Deeksha Sinha, Wentao Weng
Abstract: In content moderation for social media platforms, the cost of delaying the review of a content is proportional to its view trajectory, which fluctuates and is apriori unknown. Motivated by such uncertain and evolving holding costs, we consider a queueing model where job states evolve based on a Markov chain with state-dependent instantaneous holding costs. We demonstrate that in the presence of such uncertain and evolving holding costs, the two canonical algorithmic principles, instantaneous-cost ($c\mu$-rule) and expected-remaining-cost ($c\mu/\theta$-rule), are suboptimal. By viewing each job as a Markovian ski-rental problem, we develop a new index-based algorithm, Opportunity-adjusted Remaining Cost (OaRC), that adjusts to the opportunity of serving jobs in the future when uncertainty partly resolves. We show that the suboptimality gap of OaRC scales as $\tilde{O}(\sqrt{N})$, where $N$ is the system size. This bound shows that OaRC achieves asymptotic optimality for overloaded systems when the system size $N$ scales to infinity. Moreover, the bound is independent of the state-space size, which is a desirable property when job states contain contextual information. We corroborate our results with an extensive simulation study based on two holding cost patterns (online ads and user-generated content) that arise in content moderation for social media platforms. Our simulations based on synthetic and real datasets demonstrate that OaRC consistently outperforms existing practice, which is based on the two canonical algorithmic principles.
Authors: Pedram Ghamisi, Weikang Yu, Xiaokang Zhang, Aldino Rizaldy, Jian Wang, Chufeng Zhou, Richard Gloaguen, Gustau Camps-Valls
Abstract: Foundation Models (FMs) are large-scale, pre-trained artificial intelligence (AI) systems that have revolutionized natural language processing and computer vision, and are now advancing geospatial analysis and Earth Observation (EO). They promise improved generalization across tasks, scalability, and efficient adaptation with minimal labeled data. However, despite the rapid proliferation of geospatial FMs, their real-world utility and alignment with global sustainability goals remain underexplored. We introduce SustainFM, a comprehensive benchmarking framework grounded in the 17 Sustainable Development Goals with extremely diverse tasks ranging from asset wealth prediction to environmental hazard detection. This study provides a rigorous, interdisciplinary assessment of geospatial FMs and offers critical insights into their role in attaining sustainability goals. Our findings show: (1) While not universally superior, FMs often outperform traditional approaches across diverse tasks and datasets. (2) Evaluating FMs should go beyond accuracy to include transferability, generalization, and energy efficiency as key criteria for their responsible use. (3) FMs enable scalable, SDG-grounded solutions, offering broad utility for tackling complex sustainability challenges. Critically, we advocate for a paradigm shift from model-centric development to impact-driven deployment, and emphasize metrics such as energy efficiency, robustness to domain shifts, and ethical considerations.
Authors: Zhendong Yu, Weizhong Huang, Haiping Huang
Abstract: Fixed points of recurrent neural networks can be leveraged to store and generate information. These fixed points can be captured by the Boltzmann-Gibbs measure, which leads to neural Langevin dynamics that can be used to find them for generative learning of a real dataset. We call this type of generative model a neural Langevin machine, which derives an asymmetric and firing-rate-speed adjusted learning rule requiring only local neural signals, thereby bearing biological relevance in terms of local predictive learning. An interesting out-of-equilibrium regime of the generative process is revealed, together with a memorization-to-generalization transition with increasing training data size. The neuro-inspired machine can also realize a continuous exploration of the phase space for different kinds of generative images and can denoise a corrupted image as well.
Authors: Tyler E. Maltba, Ben S. Southworth, Jeffrey R. Haack, Marc L. Klasky
Abstract: Continued progress in inertial confinement fusion (ICF) requires solving inverse problems relating experimental observations to simulation input parameters, followed by design optimization. However, such high-dimensional dynamic PDE-constrained optimization problems are extremely challenging or even intractable. It has been recently shown that inverse problems can be solved by only considering certain robust features. Here we consider the ICF capsule's deuterium-tritium (DT) interface, and construct a causal, dynamic, multifidelity reduced-order surrogate that maps from a time-dependent radiation temperature drive to the interface's radius and velocity dynamics. The surrogate targets an ODE embedding of DT interface dynamics, and is constructed by learning a controller for a base analytical model using low- and high-fidelity simulation training data with respect to radiation energy group structure. After demonstrating excellent accuracy of the surrogate interface model, we use machine learning (ML) models with surrogate-generated data to solve inverse problems optimizing radiation temperature drive to reproduce observed interface dynamics. For sparse snapshots in time, the ML model further characterizes the most informative times at which to sample dynamics. Altogether we demonstrate how operator learning, causal architectures, and physical inductive bias can be integrated to accelerate discovery, design, and diagnostics in high-energy-density systems.
Authors: Pierre-Louis Ruhlmann, Michael Arbel, Florence Forbes, Pedro L. C. Rodrigues
Abstract: Simulation-based inference (SBI) is transforming experimental sciences by enabling parameter estimation in complex non-linear models from simulated data. A persistent challenge, however, is model misspecification. In a Bayesian setting, targeting posterior distributions, errors may arise from the simulator, the noise or prior modelling. These model components are only approximations of reality, and severe mismatches can yield biased or overconfident posteriors. We address this issue by introducing Flow Matching Corrected Posterior Estimation (FMCPE), a framework that leverages the flow matching paradigm to refine simulation-trained posterior estimators using a small set of calibration samples. Our approach proceeds in two stages: first, a posterior approximator is trained on abundant simulated data; second, flow matching transports its predictions toward the true posterior supported by calibration observations. We rely on the later to guide the correction, without requiring explicit knowledge of the misspecification form or of which model components are affected. This design enables FMCPE to combine the scalability of SBI with robustness to distributional shift. Across synthetic benchmarks and real-world datasets, we show that our proposal consistently mitigates the effects of misspecification, delivering improved inference accuracy and uncertainty quantification compared to standard SBI baselines, while remaining computationally efficient.
Authors: Pawe{\l} Parys, Sairam Vaidya, Taylor Berg-Kirkpatrick, Loris D'Antoni
Abstract: Language Models (LMs) are increasingly used in applications where generated outputs must satisfy strict semantic or syntactic constraints. Existing approaches to constrained generation fall along a spectrum: greedy constrained decoding methods enforce validity during decoding but distort the LM's distribution, while rejection sampling (RS) preserves fidelity but wastes computation by discarding invalid outputs. Both extremes are problematic in domains such as program fuzzing, where both validity and diversity of samples are essential. We present Constrained Adaptive Rejection Sampling (CARS), an approach that strictly improves the sample-efficiency of RS without distributional distortion. CARS begins with unconstrained LM sampling and adaptively rules out constraint-violating continuations by recording them in a trie and subtracting their probability mass from future draws. This adaptive pruning ensures that prefixes proven invalid are never revisited, acceptance rates improve monotonically, and the resulting samples exactly follow the constrained distribution. In experiments on a variety of domains -- e.g., program fuzzing and molecular generation -- CARS consistently achieves higher efficiency -- measured in the number of LM forward passes per valid sample -- while also producing stronger sample diversity than both GCD and methods that approximate the LM's distribution.
Authors: Mohammad Mohaiminul Islam, Rishabh Anand, David R. Wessels, Friso de Kruiff, Thijs P. Kuipers, Rex Ying, Clara I. S\'anchez, Sharvaree Vadgama, Georg B\"okman, Erik J. Bekkers
Abstract: While widespread, Transformers lack inductive biases for geometric symmetries common in science and computer vision. Existing equivariant methods often sacrifice the efficiency and flexibility that make Transformers so effective through complex, computationally intensive designs. We introduce the Platonic Transformer to resolve this trade-off. By defining attention relative to reference frames from the Platonic solid symmetry groups, our method induces a principled weight-sharing scheme. This enables combined equivariance to continuous translations and Platonic symmetries, while preserving the exact architecture and computational cost of a standard Transformer. Furthermore, we show that this attention is formally equivalent to a dynamic group convolution, which reveals that the model learns adaptive geometric filters and enables a highly scalable, linear-time convolutional variant. Across diverse benchmarks in computer vision (CIFAR-10), 3D point clouds (ScanObjectNN), and molecular property prediction (QM9, OMol25), the Platonic Transformer achieves competitive performance by leveraging these geometric constraints at no additional cost.
Authors: Alexander J. Gates
Abstract: Comparing clusterings is central to evaluating unsupervised models, yet the many existing similarity measures can produce widely divergent, sometimes contradictory, evaluations. Clustering similarity measures are typically organized into two principal families, pair-counting and information-theoretic, reflecting whether they quantify agreement through element pairs or aggregate information across full cluster contingency tables. Prior work has uncovered parallels between these families and applied empirical normalization or chance-correction schemes, but their deeper analytical connection remains only partially understood. Here, we develop an analytical framework that unifies these families through two complementary perspectives. First, both families are expressed as weighted expansions of observed versus expected co-occurrences, with pair-counting arising as a quadratic, low-order approximation and information-theoretic measures as higher-order, frequency-weighted extensions. Second, we generalize pair-counting to k-tuple agreement and show that information-theoretic measures can be viewed as systematically accumulating higher-order co-assignment structure beyond the pairwise level. We illustrate the approaches analytically for the Rand index and Mutual Information, and show how other indices in each family emerge as natural extensions. Together, these views clarify when and why the two regimes diverge, relating their sensitivities directly to weighting and approximation order, and provide a principled basis for selecting, interpreting, and extending clustering similarity measures across applications.
Authors: Hsiao-Ying Lu, Kwan-Liu Ma
Abstract: Cancer treatment outcomes are influenced not only by clinical and demographic factors but also by the collaboration of healthcare teams. However, prior work has largely overlooked the potential role of human collaboration in shaping patient survival. This paper presents an applied AI approach to uncovering the impact of healthcare professionals' (HCPs) collaboration, captured through electronic health record (EHR) systems, on cancer patient outcomes. We model EHR-mediated HCP interactions as networks and apply machine learning techniques to detect predictive signals of patient survival embedded in these collaborations. Our models are cross validated to ensure generalizability, and we explain the predictions by identifying key network traits associated with improved outcomes. Importantly, clinical experts and literature validate the relevance of the identified crucial collaboration traits, reinforcing their potential for real-world applications. This work contributes to a practical workflow for leveraging digital traces of collaboration and AI to assess and improve team-based healthcare. The approach is potentially transferable to other domains involving complex collaboration and offers actionable insights to support data-informed interventions in healthcare delivery.
Authors: Peiyao Cai, Chengyu Cui, Felipe Maia Polo, Seamus Somerstep, Leshem Choshen, Mikhail Yurochkin, Yuekai Sun, Kean Ming Tan, Gongjun Xu
Abstract: We propose a statistical framework built on latent variable modeling for scaling laws of large language models (LLMs). Our work is motivated by the rapid emergence of numerous new LLM families with distinct architectures and training strategies, evaluated on an increasing number of benchmarks. This heterogeneity makes a single global scaling curve inadequate for capturing how performance varies across families and benchmarks. To address this, we propose a latent variable modeling framework in which each LLM family is associated with a latent variable that captures the common underlying features in that family. An LLM's performance on different benchmarks is then driven by its latent skills, which are jointly determined by the latent variable and the model's own observable features. We develop an estimation procedure for this latent variable model and establish its statistical properties. We also design efficient numerical algorithms that support estimation and various downstream tasks. Empirically, we evaluate the approach on 12 widely used benchmarks from the Open LLM Leaderboard (v1/v2).
Authors: Shagnik Pal, Shaizeen Aga, Suchita Pati, Mahzabeen Islam, Lizy K. John
Abstract: Modern ML workloads demand distributing training and inference across multiple GPUs. However, these parallelization techniques often suffer from exposed critical-path communication, leaving a potential 1.7x speedup on the table through compute-communication overlap. Prior overlapping methods harness the fact that ML model state and inputs are already sharded into the number of GPUs, and overlap the compute and communication at shard granularity. However, such coarse-grained overlap suffers from limited network topology support, and suboptimal dataflows. In this work, we instead make a case for finer-grain compute-communication overlap which we term FiCCO. FiCCO operates one level deeper than traditional sharding, and unlocks overlap for a wider set of network topologies and enables finer-grain dataflow. We show that FiCCO opens up a wider design space of execution schedules than possible at shard-level alone. To walk the design space of schedules, we study and characterize the performance inefficiencies on doing overlap and overlay the schedules with the associated inefficiency signatures. Our characterization reveals decomposition and contention based slowdowns to be the major performance limiters, and we correlate the slowdown factors with the static compute/communication operator sizes. This helps us design heuristics (that frameworks and runtimes can harness) to select bespoke FiCCO schedules based on the nature of underlying ML operations. Finally, to further minimize contention inefficiencies inherent with operation overlap, we offload communication to GPU DMA engines. We evaluate several scenarios from realistic ML deployments and demonstrate that our proposed heuristics driven bespoke schedules deliver up to 1.6x speedup. Further, our heuristics provide accurate guidance to pick the optimal schedule in 81% of unseen scenarios.
Authors: Wang Yang, Debargha Ganguly, Xinpeng Li, Chaoda Song, Shouren Wang, Vikash Singh, Vipin Chaudhary, Xiaotian Han
Abstract: Hybrid reasoning language models are commonly controlled through high-level Think/No-think instructions to regulate reasoning behavior, yet we found that such mode switching is largely driven by a small set of trigger tokens rather than the instructions themselves. Through attention analysis and controlled prompting experiments, we show that a leading ``Okay'' token induces reasoning behavior, while the newline pattern following ``'' suppresses it. Based on this observation, we propose Mid-Think, a simple training-free prompting format that combines these triggers to achieve intermediate-budget reasoning, consistently outperforming fixed-token and prompt-based baselines in terms of the accuracy-length trade-off. Furthermore, applying Mid-Think to RL training after SFT reduces training time by approximately 15% while improving final performance of Qwen3-8B on AIME from 69.8% to 72.4% and on GPQA from 58.5% to 61.1%, demonstrating its effectiveness for both inference-time control and RL-based reasoning training.
Authors: Linus Bleistein, Mathieu Dagr\'eou, Francisco Andrade, Thomas Boudou, Aur\'elien Bellet
Abstract: Ensuring fairness in matching algorithms is a key challenge in allocating scarce resources and positions. Focusing on Optimal Transport (OT), we introduce a novel notion of group fairness requiring that the probability of matching two individuals from any two given groups in the OT plan satisfies a predefined target. We first propose a modified Sinkhorn algorithm to compute perfectly fair transport plans efficiently. Since exact fairness can significantly degrade matching quality in practice, we then develop two relaxation strategies. The first one involves solving a penalized OT problem, for which we derive novel finite-sample complexity guarantees. Our second strategy leverages bilevel optimization to learn a ground cost that induces a fair OT solution, and we establish a bound on the deviation of fairness when matching unseen data. Finally, we present empirical results illustrating the performance of our approaches and the trade-off between fairness and transport cost.
Authors: Ziheng Li, Liu Kang, Feng Xiao, Luxi Xing, Qingyi Si, Zhuoran Li, Weikang Gong, Deqing Yang, Yanghua Xiao, Hongcheng Guo
Abstract: Group Relative Policy Optimization (GRPO) has emerged as a promising critic-free reinforcement learning paradigm for reasoning tasks. However, standard GRPO employs a coarse-grained credit assignment mechanism that propagates group-level rewards uniformly to to every token in a sequence, neglecting the varying contribution of individual reasoning steps. We address this limitation by introducing Outcome-grounded Advantage Reshaping (OAR), a fine-grained credit assignment mechanism that redistributes advantages based on how much each token influences the model's final answer. We instantiate OAR via two complementary strategies: (1) OAR-P, which estimates outcome sensitivity through counterfactual token perturbations, serving as a high-fidelity attribution signal; (2) OAR-G, which uses an input-gradient sensitivity proxy to approximate the influence signal with a single backward pass. These importance signals are integrated with a conservative Bi-Level advantage reshaping scheme that suppresses low-impact tokens and boosts pivotal ones while preserving the overall advantage mass. Empirical results on extensive mathematical reasoning benchmarks demonstrate that while OAR-P sets the performance upper bound, OAR-G achieves comparable gains with negligible computational overhead, both significantly outperforming a strong GRPO baseline, pushing the boundaries of critic-free LLM reasoning.
Authors: Diogo D. Carvalho, Pablo J. Bilbao, Warren B. Mori, Luis O. Silva, E. Paulo Alves
Abstract: We propose a methodology to infer collision operators from phase space data of plasma dynamics. Our approach combines a differentiable kinetic simulator, whose core component in this work is a differentiable Fokker-Planck solver, with a gradient-based optimisation method to learn the collisional operators that best describe the phase space dynamics. We test our method using data from two-dimensional Particle-in-Cell simulations of spatially uniform thermal plasmas, and learn the collision operator that captures the self-consistent electromagnetic interaction between finite-size charged particles over a wide variety of simulation parameters. We demonstrate that the learned operators are more accurate than alternative estimates based on particle tracks, while making no prior assumptions about the relevant time scales of the processes and significantly reducing memory requirements. We find that the retrieved operators, obtained in the non-relativistic regime, are in excellent agreement with theoretical predictions derived for electrostatic scenarios. Our results show that differentiable simulators offer a powerful and computational efficient approach to infer novel operators for a wide rage of problems, such as electromagnetically dominated collisional dynamics and stochastic wave-particle interactions.
Authors: Daniel Russo
Abstract: A widely used technique for improving policies is success conditioning, in which one collects trajectories, identifies those that achieve a desired outcome, and updates the policy to imitate the actions taken along successful trajectories. This principle appears under many names -- rejection sampling with SFT, goal-conditioned RL, Decision Transformers -- yet what optimization problem it solves, if any, has remained unclear. We prove that success conditioning exactly solves a trust-region optimization problem, maximizing policy improvement subject to a $\chi^2$ divergence constraint whose radius is determined automatically by the data. This yields an identity: relative policy improvement, the magnitude of policy change, and a quantity we call action-influence -- measuring how random variation in action choices affects success rates -- are exactly equal at every state. Success conditioning thus emerges as a conservative improvement operator. Exact success conditioning cannot degrade performance or induce dangerous distribution shift, but when it fails, it does so observably, by hardly changing the policy at all. We apply our theory to the common practice of return thresholding, showing this can amplify improvement, but at the cost of potential misalignment with the true objective.
Authors: Stanislas Strasman, Gabriel Cardoso, Sylvain Le Corff, Vincent Lemaire, Antonio Ocello
Abstract: Understanding the stability and long-time behavior of generative models is a fundamental problem in modern machine learning. This paper provides quantitative bounds on the sampling error of score-based generative models by leveraging stability and forgetting properties of the Markov chain associated with the reverse-time dynamics. Under weak assumptions, we provide the two structural properties to ensure the propagation of initialization and discretization errors of the backward process: a Lyapunov drift condition and a Doeblin-type minorization condition. A practical consequence is quantitative stability of the sampling procedure, as the reverse diffusion dynamics induces a contraction mechanism along the sampling trajectory. Our results clarify the role of stochastic dynamics in score-based models and provide a principled framework for analyzing propagation of errors in such approaches.
Authors: Fangru Lin, Valentin Hofmann, Xingchen Wan, Weixing Wang, Zifeng Ding, Anthony G. Cohn, Janet B. Pierrehumbert
Abstract: Large language models (LLMs) are trained and tested extensively on symbolic representations such as code and graphs, yet real-world user tasks are often specified in natural language. To what extent can LLMs generalize across these representations? Here, we approach this question by studying isomorphic tasks involving procedures represented in code, graphs, and natural language (e.g., scheduling steps in planning). We find that training LLMs with popular post-training methods on graphs or code data alone does not reliably generalize to corresponding natural language tasks, while training solely on natural language can lead to inefficient performance gains. To address this gap, we propose a two-stage reinforcement learning curriculum that first trains on symbolic, then natural language data. The curriculum substantially improves model performance across model families and tasks. Remarkably, a 1.5B Qwen model trained by our method can closely match zero-shot GPT-4o in naturalistic planning. Finally, our analysis suggests that successful cross-representation generalization can be interpreted as a form of generative analogy, which our curriculum effectively encourages. The dataset and code used in this paper can be found \href{https://github.com/fangru-lin/procedure_generalization_llm}{here}.
URLs: https://github.com/fangru-lin/procedure_generalization_llm
Authors: Tomer Gafni, Garud Iyengar, Assaf Zeevi
Abstract: We consider an online learning problem in environments with multiple change points. In contrast to the single change point problem that is widely studied using classical "high confidence" detection schemes, the multiple change point environment presents new learning-theoretic and algorithmic challenges. Specifically, we show that classical methods may exhibit catastrophic failure (high regret) due to a phenomenon we refer to as endogenous confounding. To overcome this, we propose a new class of learning algorithms dubbed Anytime Tracking CUSUM (ATC). These are horizon-free online algorithms that implement a selective detection principle, balancing the need to ignore "small" (hard-to-detect) shifts, while reacting "quickly" to significant ones. We prove that the performance of a properly tuned ATC algorithm is nearly minimax-optimal; its regret is guaranteed to closely match a novel information-theoretic lower bound on the achievable performance of any learning algorithm in the multiple change point problem. Experiments on synthetic as well as real-world data validate the aforementioned theoretical findings.
Authors: Ram\'on Nartallo-Kaluarachchi, Renaud Lambiotte, Alain Goriely
Abstract: Recurrent neural networks (RNNs) provide a theoretical framework for understanding computation in biological neural circuits, yet classical results, such as Hopfield's model of associative memory, rely on symmetric connectivity that restricts network dynamics to gradient-like flows. In contrast, biological networks support rich time-dependent behaviour facilitated by their asymmetry. Here we introduce a general framework, which we term drift-diffusion matching, for training continuous-time RNNs to represent arbitrary, nonlinear stochastic differential equations (SDEs), with given drift and diffusion coefficients, within a low-dimensional latent subspace. Allowing asymmetric connectivity, we show that RNNs can faithfully embed the drift and diffusion of a given SDE, including nonlinear and nonequilibrium dynamics such as chaotic attractors. As an application, we construct RNN realisations of stochastic systems that transiently explore various attractors through both input-driven switching and autonomous transitions driven by nonequilibrium currents, which we interpret as models of associative and sequential (episodic) memory. To elucidate how these dynamics are encoded in the network, we introduce decompositions of the RNN based on its asymmetric connectivity and its time-irreversibility. Our results extend attractor neural network theory beyond equilibrium, showing that asymmetric neural populations can implement a broad class of dynamical computations within low-dimensional manifolds, unifying ideas from associative memory, nonequilibrium statistical mechanics, and neural computation.
Authors: Arthur Lebeurrier, Titouan Vayer, R\'emi Gribonval
Abstract: Despite recent algorithmic advances, we still lack principled ways to leverage the well-documented rescaling symmetries in ReLU neural network parameters. While two properly rescaled weights implement the same function, the training dynamics can be dramatically different. To offer a fresh perspective on exploiting this phenomenon, we build on the recent path-lifting framework, which provides a compact factorization of ReLU networks. We introduce a geometrically motivated criterion to rescale neural network parameters which minimization leads to a conditioning strategy that aligns a kernel in the path-lifting space with a chosen reference. We derive an efficient algorithm to perform this alignment. In the context of random network initialization, we analyze how the architecture and the initialization scale jointly impact the output of the proposed method. Numerical experiments illustrate its potential to speed up training.
Authors: Chenhe Du, Xuanyu Tian, Qing Wu, Muyu Liu, Jingyi Yu, Hongjiang Wei, Yuyao Zhang
Abstract: Plug-and-Play diffusion prior (PnPDP) frameworks have emerged as a powerful paradigm for solving imaging inverse problems by treating pretrained generative models as modular priors. However, we identify a critical flaw in prevailing PnP solvers (e.g., based on HQS or Proximal Gradient): they function as memoryless operators, updating estimates solely based on instantaneous gradients. This lack of historical tracking inevitably leads to non-vanishing steady-state bias, where the reconstruction fails to strictly satisfy physical measurements under heavy corruption. To resolve this, we propose Dual-Coupled PnP Diffusion (DC-PnPDP), which restores the classical dual variable to provide integral feedback, progressively enforce agreement between the data-consistency and prior. However, this rigorous geometric coupling introduces a secondary challenge: the accumulated dual residuals exhibit spectrally colored, structured artifacts that violate the Additive White Gaussian Noise (AWGN) assumption of diffusion priors, causing severe hallucinations. To bridge this gap, we introduce Spectral Homogenization (SH), a frequency-domain adaptation mechanism that modulates these structured residuals into statistically compliant pseudo-AWGN inputs. This effectively aligns the solver's rigorous optimization trajectory with the denoiser's valid statistical manifold. Extensive experiments on CT and MRI reconstruction demonstrate that our approach resolves the bias-hallucination trade-off, achieving state-of-the-art fidelity with significantly accelerated convergence. The code is available at https://github.com/duchenhe/DC-PnPDP
Authors: Rafael R. Baptista, Andr\'e de Lima Salgado, Ricardo V. Godoy, Marcelo Becker, Thiago Boaventura, Gustavo J. G. Lahr
Abstract: Leader-follower interaction is an important paradigm in human-robot interaction (HRI). Yet, assigning roles in real time remains challenging for resource-constrained mobile and assistive robots. While large language models (LLMs) have shown promise for natural communication, their size and latency limit on-device deployment. Small language models (SLMs) offer a potential alternative, but their effectiveness for role classification in HRI has not been systematically evaluated. In this paper, we present a benchmark of SLMs for leader-follower communication, introducing a novel dataset derived from a published database and augmented with synthetic samples to capture interaction-specific dynamics. We investigate two adaptation strategies: prompt engineering and fine-tuning, studied under zero-shot and one-shot interaction modes, compared with an untrained baseline. Experiments with Qwen2.5-0.5B reveal that zero-shot fine-tuning achieves robust classification performance (86.66% accuracy) while maintaining low latency (22.2 ms per sample), significantly outperforming baseline and prompt-engineered approaches. However, results also indicate a performance degradation in one-shot modes, where increased context length challenges the model's architectural capacity. These findings demonstrate that fine-tuned SLMs provide an effective solution for direct role assignment, while highlighting critical trade-offs between dialogue complexity and classification reliability on the edge.
Authors: Samuel Garcin, Thomas Walker, Steven McDonagh, Tim Pearce, Hakan Bilen, Tianyu He, Kaixin Wang, Jiang Bian
Abstract: Interactive world models continually generate video by responding to a user's actions, enabling open-ended generation capabilities. However, existing models typically lack a 3D representation of the environment, meaning 3D consistency must be implicitly learned from data, and spatial memory is restricted to limited temporal context windows. This results in an unrealistic user experience and presents significant obstacles to downstream tasks such as training agents. To address this, we present PERSIST, a new paradigm of world model which simulates the evolution of a latent 3D scene: environment, camera, and renderer. This allows us to synthesise new frames with persistent spatial memory and consistent geometry. Both quantitative metrics and a qualitative user study show substantial improvements in spatial memory, 3D consistency, and long-horizon stability over existing methods, enabling coherent, evolving 3D worlds. We further demonstrate novel capabilities, including synthesising diverse 3D environments from a single image, as well as enabling fine-grained, geometry-aware control over generated experiences by supporting environment editing and specification directly in 3D space. Project page: https://francelico.github.io/persist.github.io
Authors: Guoli Wang, Haonan Shi, Tu Ouyang, An Wang
Abstract: Large language models (LLMs) often require fine-tuning (FT) to perform well on downstream tasks, but FT can induce safety-alignment drift even when the training dataset contains only benign data. Prior work shows that introducing a small fraction of harmful data can substantially compromise LLM refusal behavior, causing LLMs to comply with harmful requests. Existing defense methods often rely on model-wide interventions, such as restricting which parameters are updated or injecting additional safety data, which can limit generality and degrade downstream task performance. To address these limitations, we propose a fine-tuning framework called Preserving Safety Alignment via Constrained Tokens (PACT), which stabilizes the model's confidence on safety tokens. Our approach is motivated by the empirical observation that safety-aligned behavior is reflected in the model's token-level output confidence and is often concentrated on a small subset of safety-related tokens. During downstream fine-tuning, we regularize the fine-tuned model to match the aligned reference model's confidence on safety-related tokens at each response step, while leaving non-safety tokens largely unconstrained to allow effective task adaptation. This targeted constraint prevents alignment drift without imposing global restrictions that typically trade off with model utility. Our code is available at {https://github.com/Glresearch1/PACT}.
Authors: Robin Doerfler, Lonce Wyse
Abstract: Computational engine sound modeling is central to the automotive audio industry, particularly for active sound design applications and virtual prototyping. Emerging data-driven engine sound synthesis methods require large volumes of standardized, clean audio recordings with precisely time-aligned operating-state annotations: data that is difficult to obtain due to high costs, specialized measurement equipment requirements, and inevitable noise contamination. We present an analysis-driven framework for generating engine audio with sample-accurate control annotations. The method extracts harmonic structures from real recordings through pitch-adaptive spectral analysis, which then drive an extended parametric harmonic-plus-noise synthesizer. With this framework, we augment 5-10 min of source audio per engine 15-30x via diverse control trajectories and parametric variation, producing the Procedural Engine Sounds Dataset (19.0 h, 5,935 files): a set of engine audio signals with sample-accurate RPM and torque annotations spanning a wide range of operating conditions, signal complexities, and harmonic profiles. Comparison against real recordings validates that the synthesized data preserves characteristic harmonic structures, and a baseline differentiable synthesis network trained on the dataset confirms its suitability for data-driven engine sound modeling. The dataset is released publicly to support research on engine timbre analysis, control parameter estimation, and neural generative synthesis.
Authors: David Gringras
Abstract: A safety score earned on a benchmark need not predict how the same model behaves once it is wrapped in an agentic scaffold the benchmark never tested. We ran six frontier models through four deployment configurations (direct API, ReAct, multi-agent critic, map-reduce delegation): N = 62,808 blinded, pre-registered, equivalence-tested evaluations across four safety benchmarks (BBQ, TruthfulQA, XSTest/OR-Bench, sycophancy), plus three supporting analyses. ReAct and multi-agent scaffolds stay within a pre-registered +/-2 pp equivalence margin; map-reduce delegation degrades measured safety (NNH = 14), though that loss is largely a measurement artifact: on identical items, multiple-choice versus open-ended phrasing shifts the measured safety rate by 5-20 pp, and decomposition silently strips the multiple-choice options. Roughly 40-89% of the per-model map-reduce loss is this format conversion rather than reasoning disruption, and an option-preserving variant recovers most of it. Pooled effects also mask sharp model-by-scaffold heterogeneity: under map-reduce, on identical items, Opus loses 16.8 pp while Llama 4 gains 18.8 pp. Structurally, scaffold architecture explains only 0.4% of outcome variance (benchmark choice explains 45x more), and the generalizability coefficient is G = 0.000 (bootstrap 95% CI [0.000, 0.752]). An interval that wide is enough on its own to undermine the utility of any single composite safety number as a deployment criterion. These are the "easy cases"; consequential properties like scheming and CBRN uplift have no obvious reason to be less format- or scaffold-sensitive. Code, data, and prompts are released as ScaffoldSafety.
Authors: Peiyong Wang, Kieran Hymas, James Quach
Abstract: Whether uniquely quantum resources confer advantages in fully classical, competitive environments remains an open question. Competitive zero-sum reinforcement learning is particularly challenging, as success requires modelling dynamic interactions between opposing agents rather than static state-action mappings. Here, we conduct a controlled study isolating the role of quantum entanglement in a quantum-classical hybrid agent trained on Pong, a competitive Markov game. An 8-qubit parameterised quantum circuit serves as a feature extractor within a proximal policy optimisation framework, allowing direct comparison between separable circuits and architectures incorporating fixed (CZ) or trainable (IsingZZ) entangling gates. Entangled circuits consistently outperform separable counterparts with comparable parameter counts and, in low-capacity regimes, match or exceed classical multilayer perceptron baselines. Representation similarity analysis further shows that entangled circuits learn structurally distinct features, consistent with improved modelling of interacting state variables. These findings establish entanglement as a function resource for representation learning in competitive reinforcement learning.
Authors: Zheda Mai, Ke Zhang, Fu-En Wang, Zixiao Ken Wang, Albert Y. C. Chen, Lu Xia, Min Sun, Wei-Lun Chao, Cheng-Hao Kuo
Abstract: Model stitching, connecting early layers of one model (source) to later layers of another (target) via a light stitch layer, has served as a probe of representational compatibility. Prior work finds that models trained on the same dataset remain stitchable (negligible accuracy drop) despite different initializations or objectives. We revisit stitching for Vision Foundation Models (VFMs) that vary in objectives, data, and modality mix (e.g., CLIP, DINOv2, SigLIP 2) and ask: Are heterogeneous VFMs stitchable? We introduce a systematic protocol spanning the stitch points, stitch layer families, training losses, and downstream tasks. Three findings emerge. (1) Stitch layer training matters: conventional approaches that match the intermediate features at the stitch point or optimize the task loss end-to-end struggle to retain accuracy, especially at shallow stitch points. (2) With a simple feature-matching loss at the target model's penultimate layer, heterogeneous VFMs become reliably stitchable across vision tasks. (3) For deep stitch points, the stitched model can surpass either constituent model at only a small inference overhead (for the stitch layer). Building on these findings, we further propose the VFM Stitch Tree (VST), which shares early layers across VFMs while retaining their later layers, yielding a controllable accuracy-latency trade-off for multimodal LLMs that often leverage multiple VFMs. Taken together, our study elevates stitching from a diagnostic probe to a practical recipe for integrating complementary VFM strengths and pinpointing where their representations align or diverge.
Authors: Omer Dahary, Benaya Koren, Daniel Garibi, Daniel Cohen-Or
Abstract: Modern Text-to-Image (T2I) diffusion models have achieved remarkable semantic alignment, yet they often suffer from a significant lack of variety, converging on a narrow set of visual solutions for any given prompt. This typicality bias presents a challenge for creative applications that require a wide range of generative outcomes. We identify a fundamental trade-off in current approaches to diversity: modifying model inputs requires costly optimization to incorporate feedback from the generative path. In contrast, acting on spatially-committed intermediate latents tends to disrupt the forming visual structure, leading to artifacts. In this work, we propose to apply repulsion in the Contextual Space as a novel framework for achieving rich diversity in Diffusion Transformers. By intervening in the multimodal attention channels, we apply on-the-fly repulsion during the transformer's forward pass, injecting the intervention between blocks where text conditioning is enriched with emergent image structure. This allows for redirecting the guidance trajectory after it is structurally informed but before the composition is fixed. Our results demonstrate that repulsion in the Contextual Space produces significantly richer diversity without sacrificing visual fidelity or semantic adherence. Furthermore, our method is uniquely efficient, imposing a small computational overhead while remaining effective even in modern "Turbo" and distilled models where traditional trajectory-based interventions typically fail.
Authors: Ludwig Burger, Annalena Kofler, Lukas Heinrich, Ulrich Gerland
Abstract: Stochastic kinetic models are ubiquitous in physics, yet inferring their parameters from experimental data remains challenging. For deterministic models, parameter inference often relies on gradients, which can be obtained efficiently through automatic differentiation (AD). However, AD cannot be applied directly to the Gillespie stochastic simulation algorithm (SSA), since sampling from a discrete set of reactions introduces non-differentiable operations. In this work, we adopt three gradient estimators from machine learning for the Gillespie SSA: the Gumbel-Softmax Straight-Through (GS-ST) estimator, the Score Function estimator, and the Alternative Path estimator. We use the estimators to evaluate gradients of steady-state and time-dependent observables, and compare their performance in representative biophysical systems with relaxation dynamics (bimolecular association) and oscillatory dynamics (repressilator). We find that the GS-ST estimator generally yields well-behaved gradient estimates, but exhibits diverging variance in challenging parameter regimes, which can cause parameter inference to fail. In these cases, other estimators provide more robust, lower variance gradients. Our results demonstrate that gradient-based parameter inference can be effectively combined with the Gillespie SSA, with different estimators offering complementary advantages.
Authors: Yuyan Zhou, Kai Syun Hou, Weiyu Chen, James Kwok
Abstract: Auto-regressive models (ARMs) have established a dominant paradigm in language modeling. However, their strictly sequential sampling paradigm imposes fundamental constraints on both inference efficiency and modeling flexibility. To address these limitations, diffusion-based large language models (dLLMs) have been proposed, offering the potential for parallel sampling and flexible language modeling. Despite these advantages, current dLLMs sampling strategies rely primarily on token level information, which fails to account for global sequence structure and often yields suboptimal results. In this paper, we study the sampling order selection problem from the perspective of log-likelihood maximization. We show that this problem is NP-hard and propose an optimal sampling-rank-based approximation that makes the objective computationally tractable. We further prove that the tractable objective is optimized by sampling tokens in descending order of their attention-matrix column sums. This finding provides a principled justification for attention-guided sampling and offers a theoretically grounded alternative to greedy search. We instantiate this theoretical insight in a new training-free sampling algorithm, termed Attn-Sampler, and further propose dynamic attention thresholding for practical acceleration. Extensive experiments across multiple benchmarks validate the effectiveness of our proposed method, demonstrating that it achieves superior generation quality while enhancing the sampling parallelism.
Authors: Jiashu Yao, Heyan Huang, Daiqing Wu, Zeming Liu, Yuhang Guo
Abstract: To encourage diverse exploration in reinforcement learning (RL) for large language models (LLMs) without compromising accuracy, we propose Policy Split, a novel paradigm that bifurcates the policy into normal and high-entropy modes with a high-entropy prompt. While sharing model parameters, the two modes undergo collaborative dual-mode entropy regularization tailored to distinct objectives. Specifically, the normal mode optimizes for task correctness, while the high-entropy mode incorporates a preference for exploration, and the two modes learn collaboratively. Extensive experiments demonstrate that our approach consistently outperforms established entropy-guided RL baselines across various model sizes in general and creative tasks. Further analysis reveals that Policy Split facilitates dual-mode exploration, where the high-entropy mode generates distinct behavioral patterns to the normal mode, providing unique learning signals.
Authors: Isabella Luong, Joyee Chen, Arturs Kanepajs, Jasmine Brazilek, Sankalpa Ghose, David Williams-King, Linh Le, Allen Lu
Abstract: Evaluating animal welfare reasoning in LLMs remains an open challenge despite rapid deployment in consumer and professional contexts where welfare considerations appear implicitly in everyday queries. Existing benchmarks such as AnimalHarmBench evaluate this through single-turn, explicitly framed questions, measuring whether models avoid harmful content when directly asked. This approach overlooks two failure modes: alignment degradation under sustained adversarial pressure, and moral sensitivity (whether a model spontaneously surfaces welfare stakes in everyday queries). To fill this gap, we construct MANTA, a benchmark of 1,088 five-turn conversations progressing from an implicit Turn-1 scenario through an explicit welfare prompt to three adversarial pressure rounds drawn from a five-type taxonomy: Social, Cultural, Economic, Pragmatic, and Epistemic. We score conversations on two dimensions: Animal Welfare Value Stability (AWVS, primary) and Animal Welfare Moral Sensitivity (AWMS, diagnostic). We evaluate seven frontier models: Claude Opus 4.7, GPT-5.5, DeepSeek V4, Llama 3.3 70B, Mistral Small, Grok 4.3, and Gemini 3.1 Flash Lite. Multi-turn evaluation captures behavior single-turn benchmarks miss: 4 of 7 models change rank relative to Turn 1 scores, including Gemini Flash Lite, which drops from fifth on AWMS to last on AWVS. AWMS and AWVS are positively but imperfectly correlated, suggesting moral-recognition tests capture a stable but incomplete component of model behavior under pressure. MANTA also enables a species-by-pressure interaction matrix unavailable to prior benchmarks, showing welfare robustness depends jointly on the animal and pressure applied; companion animals score above wild animals, which score above farmed animals and invertebrates. We release the dataset, scripted pressure plans, judge prompts, and analysis code.
Authors: Abdelhakim Ziani, Andras Horvath, Paolo Ballarini
Abstract: Heavy-tailed distributions are prevalent in performance evaluation, network traffic, and risk modeling. This behavior poses a fundamental challenge for modern deep generative models. Standard Variational Autoencoders (VAEs) employ Gaussian decoder likelihoods and Lipschitz-constrained neural networks, a combination that is structurally incapable of producing heavy-tailed outputs: the Gaussian tail decays exponentially, and Lipschitz continuity prevents the decoder from amplifying rare events from the latent space input to sufficiently overcome this decay. We provide both a theoretical characterization of this limitation and a controlled empirical demonstration using synthetic Pareto data across a grid of tail indices $\alpha$ $\in$ {2, 3, 5, 30} and dimensions d $\in$ {1, 5, 10}. As a solution, we replace the Gaussian decoder with a Phase-Type (PH) distribution based on Markov chains, while keeping the encoder, latent space, and training procedure identical. PH distributions allow for arbitrarily precise approximations of any positive-valued distributions, including heavy-tailed families. Experiments showed that the PH-based model reduces tail Kolmogorov-Smirnov distance by up to x6 and extreme quantile error by up to x10 compared to the Gaussian baseline for heavy-tailed data. These results demonstrate that integrating Markov chain-based distributions into the decoder of a generative model institutes a principled and practically effective solution to the heavy-tail generation problem.
Authors: Bei Qiao, Lei Wang
Abstract: We train a pair of autoregressive models to construct zero-mean control variates to mitigate the sign problem in quantum Monte Carlo simulations. The two autoregressive networks are confined to the positive- and negative-sign sectors with strictly disjoint support, and each is exactly normalized over its sector. Their difference is therefore structurally zero-mean, providing an unbiased auxiliary observable whose correlation with the sign estimator controls the variance reduction. We implement the method within the stochastic series expansion framework, which we extend to frustrated lattices by developing an incremental loop-topology update. Sign-ergodic sampling is achieved through a twist channel, which is the unique sign-changing mechanism on non-bipartite lattices. We implement the control variates as autoregressive transformers with an end-of-sequence parity mask that enforces exact sign-sector resolution, while the incremental loop-count change and cumulative frustration parity are incorporated as topological features. On the triangular-lattice Heisenberg antiferromagnet, we benchmark the method in the small-$N$ limit. The control variate reduces the standard error of the average sign by up to an order of magnitude and that of the energy estimator by a factor of three to five, remaining effective even when the average sign drops below $10^{-3}$. This work lays out the framework and provides a proof-of-principle demonstration that autoregressive control variates can effectively mitigate the sign problem. Scaling to larger systems with physics-informed architectures is the subject of future work.
Authors: Tianyang Zhou, Wenbo Chen, Pierre Jinghong Liang, Leman Akoglu
Abstract: LLMs have advanced text classification, yet existing paradigms face a trade-off: supervised (label only) fine-tuning is scalable but offers limited reasoning on complex text and lacks broader model transparency, while discrete prompt optimization offers human-readable instructions but struggles with performance and scalability. We introduce eXTC (eXplainable Text Classifier) with three progressive stages: (1) learning a Standard Operating Procedure (SOP, or rulebook) in natural language via a new Structured Prompt Optimization algorithm; (2) SOP-grounded reasoning distillation from a large teacher LLM into a compact LM; and (3) expanding reasoning capabilities beyond the initial SOP via reinforcement learning. This design enables eXTC to provide (i) fast inference via a compact LM, with (ii) inference-time local reasoning traces, alongside a global, modular explanation of its learned domain rules, while (iii) significantly outperforming existing paradigms across diverse benchmarks in both classification performance and explanation quality, with stage-by-stage gains.
Authors: Lixuan Guo, Yifei Wang, Tiansheng Wen, Aosong Feng, Stefanie Jegelka, Chenyu You
Abstract: Multi-vector retrieval (MVR) models, exemplified by ColBERT, have established new benchmarks in retrieval accuracy by preserving fine-grained token-level interactions. However, this granularity imposes prohibitive storage and retrieval efficiency bottlenecks: to manage the immense memory footprint and computational overhead of billion-scale token vectors, state-of-the-art systems are forced to rely on aggressive dimension reduction and complex clustering (e.g., K-means). This compromise introduces two critical limitations: excessive indexing latency of clustering large-scale corpora and semantic information loss inherent to compression. In this paper, we propose Single-stage Sparse Retrieval (SSR}, a paradigm shift that replaces expensive clustering with efficient sparse coding. Instead of compressing features into low-dimensional dense vectors, we utilize Sparse Autoencoder (SAE) to project token embeddings into a high-dimensional but highly sparse representation. This transformation enables us to bypass vector clustering entirely and leverage inverted indexing for precise, high-throughput retrieval. Extensive experiments on the BEIR benchmark demonstrate that SSR achieves a "trifecta" of improvements: it reduces indexing time by 15x compared to ColBERTv2, halves retrieval latency, and simultaneously improves retrieval performance over leading baselines.
Authors: Sunghyun Kim, Jaehoon Hahm, Jeongwoo Shin, Joonseok Lee
Abstract: Geometry-aware generative models and novel view synthesis approaches have shown strong potential in visual fidelity and consistency. In parallel, equivariant representation learning has emerged as a powerful framework for constructing latent spaces where analytically known group transformations could act directly, capturing geometric structure in data and enhancing both interpretability and generalization in novel view synthesis. However, we identify that existing approaches often suffer from latent misalignment, a discrepancy between the intended group action and the actually required transformations in the latent space. Consequently, the learned latents often fail to consistently preserve the equivariant relations imposed by the underlying group symmetry. To address this, we propose Residual Latent Flow, a flow-based framework that corrects the misaligned latents, thereby improving compliance with the underlying equivariance relation. Our comprehensive experiments show that our method significantly reduces latent misalignment and improves novel view synthesis quality, under rotation groups SO(n).
Authors: Zishuai Liu, Ruili Fang, Jin Lu, Fei Dou
Abstract: Human Activity Recognition (HAR) from ambient sensors enables smart-home applications such as health monitoring and assisted living. In realistic deployments, however, sensor events arrive as a continuous stream and activity boundaries are unknown. Sliding-window inference therefore produces many windows that straddle transitions and contain mixed activities, creating boundary contamination that violates the pre-segmented instance assumption used by most benchmarks and models. Moreover, many pipelines under-use spatial context by treating sensor IDs as independent tokens. We present LastAct, a trajectory-centric framework for streaming smart-home HAR that targets the most recent activity under mixed windows while explicitly modeling spatial structure. LastAct projects sensor events onto the home floorplan to form a layout-aligned trajectory image sequence that preserves spatial continuity. A lightweight gate identifies contaminated windows, and a boundary localizer estimates the last transition to enable boundary-guided masking that emphasizes post-boundary evidence and suppresses stale context. For efficiency, we reuse a precomputed layout-aligned template cache to avoid repeated rendering. Empirically, across four public smart-home datasets under near-realistic mixed-activity protocols, LastAct achieves competitive or superior performance on pure windows and yields substantial Macro-F1 gains on cross/mixed windows, demonstrating improved robustness under near-realistic sliding-window regimes.
Authors: Jayanta Dey, Shikhar Srivastava, Itamar Lerner, Christopher Kanan, Dhireesha Kudithipudi
Abstract: Learning long-range non-stationary temporal patterns remains a core challenge for modern sequence models, particularly in strict streaming settings. In these settings, data arrive sequentially and must be processed in a single pass without simultaneously revisiting past observations. Standard architectures, including recurrent neural networks and transformers, are constrained by either truncated backpropagation through time horizon or explicit input window length for long range credit assignment. To address these limitations, we propose SHARP (Sleep-based Hierarchical Accelerated Replay), a framework that decomposes temporal learning into two complementary components: a memory module that accumulates a structured history of past inputs, and a pattern-recognition module that operates over this memory. This separation enables resource- and compute-efficient adaptation to non-stationary dynamics by eliminating the need for backpropagation through time across many steps for long-range credit assignment. Inspired by the accelerated replay observed in rodents during slow-wave sleep, SHARP incorporates offline (sleep) phases in which temporally structured memory traces are replayed in an accelerated form and integrated into higher-level memory representations, improving long-range context retention. Through controlled simulations and ablation studies, we characterize the key properties of the proposed framework. In benchmark datasets such as text8 and PG-19, we demonstrate that SHARP improves over recurrent baselines by retaining next-token predictive performance on previously seen data while continuing to learn from the current stream and generalizing to future unseen data. These gains are enabled by its hierarchical structure, which yields an exponentially increasing effective temporal context with only linear-time computational cost.
Authors: Yancheng Liu, Kenichi Maeda, Manan Pancholy
Abstract: Clinical diagnosis often requires combining imaging with physiological measurements, yet deployed models typically operate on unimodal data. We present PaCX-MAE, a cross-modal distillation framework that injects physiological priors into chest X-ray (CXR) encoders while remaining strictly unimodal at inference. PaCX-MAE augments in-domain masked autoencoding with a dual contrastive-predictive objective, aligning CXR representations with paired ECG and laboratory embeddings. Extensive evaluation across nine benchmarks demonstrates consistent improvements over domain-specific MAE, particularly on physiology-dependent tasks (e.g., +2.7 AUROC on MedMod; +6.5 F1 on VinDr). The method proves highly label-efficient in the 1% regime and preserves anatomical fidelity, achieving parity with MAE on segmentation tasks. Zero-shot and attention analyses confirm that PaCX-MAE successfully learns to attend to physiological indicators, such as the cardiac silhouette, absent in standard visual pretraining.
Authors: Yu-Cheng Shi, Zhen-Hao Xie, Jun-Tao Tang, Da-Wei Zhou
Abstract: Multimodal Large Language Models (MLLMs) achieve strong performance through instruction tuning, but real-world deployment requires them to continually acquire new vision-language capabilities, making Multimodal Continual Instruction Tuning (MCIT) essential. To reduce inter-task interference and promote collaboration, recent methods often employ sparse architectures like Mixture of LoRA Experts with image-text similarity routing. However, tasks with distinct response structures could share highly similar visual-linguistic semantics and thus be wrongly routed to the same expert; image-text similarity alone is insufficient for reliable task assignment. For example, an expert in a grounding task requiring coordinate prediction may be biased toward producing short textual answers after learning semantically similar VQA tasks. This format-blind task assignment integrates heterogeneous response types into shared parameters, inducing gradient interference and ineffective expert collaboration. To address this problem, we propose ProtoAda, a prototype-guided adaptive tuning framework. ProtoAda introduces format-aware task prototypes to align task assignment and routing with both task semantics and output structure, and further consolidates format-compatible updates in a geometry-aware manner to effectively reuse and progressively refine existing parameters. Extensive experiments on multiple benchmarks demonstrate that ProtoAda achieves superior performance, especially on tasks whose answer structures are easily corrupted by sequential tuning.
Authors: Ruipeng Zhang, Zhihao Li, Haozhang Yuan, C. L. Philip Chen, Tong Zhang
Abstract: Hallucination has recently garnered significant research attention in Large Vision-Language Models (LVLMs). Direct Preference Optimization (DPO) aims to learn directly from the corrected preferences provided by humans, thereby addressing the hallucination issue. Despite its success, this paradigm has yet to specifically target the perceptual bottleneck in attended regions or address insufficient Visual Robustness against image degradation. Furthermore, existing preference pairs are often vision-agnostic and their inherently off-policy nature limits their effectiveness in guiding model learning. To address these challenges, we propose Perceptual Processing Direct Preference Optimization (P$^2$-DPO), a novel training paradigm in which the model generates and learns from its own preference pairs, thereby directly addressing the identified visual bottlenecks while inherently avoiding the issues of vision-agnostic and off-policy data. It introduces: (1) an on-policy preference pairs construction method targeting Focus-and-Enhance perception and Visual Robustness, and (2) a well-designed Calibration Loss to precisely align visual signals with the causal generation of text. Experimental results demonstrate that with a comparable amount of training data and cost, P$^2$-DPO outperforms strong baselines that rely on costly human feedback on benchmarks. Furthermore, evaluations on Attention Region Fidelity (ARF) and image degradation scenarios validate the effectiveness of P$^2$-DPO in addressing perceptual bottleneck in attended regions and improving Visual Robustness against degraded inputs.
Authors: Zihong Lu, Zongzhuo Liu, Huaxu Li, Jinqiang Cui, Jie Mei, Youmin Gong, U Kei Cheang, Boyu Zhou
Abstract: Autonomous vision-based perching of quadrotors on moving inclined platforms is critical for air-ground collaboration but remains challenging due to the limited field of view (FOV). In this paper, we propose PerchRL, a reinforcement learning (RL) framework for vision-based agile perching on inclined platforms under rapid and irregular motion. Specifically, we employ a two-stage learning strategy consisting of state-based pre-training followed by vision-based fine-tuning. To improve generalization across diverse platform motions, we employ randomized platform trajectories to prevent overfitting and temporal augmentation methods to capture latent motion patterns from historical observations. During vision-based fine-tuning, a hybrid learning framework consisting of visibility-aware state augmentation and active perception rewards is presented to improve robustness under intermittent visual loss. Extensive simulation and real-world experiments demonstrate the feasibility, stability, and real-time performance of PerchRL, while successful deployment across distinct quadrotor platforms further validates its adaptability. The source code will be released to benefit the community.
Authors: Xuhui Lin, Stephen Law, Nanjiang Chen, Kunyao Li, Tao Yang
Abstract: Embodied agents that navigate cities rely on world models that predict how their surroundings will change as they move. But for navigation, what matters is not what the buildings look like; it is where the agent can go. Most world models nonetheless predict appearance, learning how a scene looks rather than the space an agent can move through. Those that do target geometry, such as bird's-eye-view occupancy grids, flatten the three-dimensional environment onto a ground plane, discarding the above-ground and multi-level structure that shapes real navigation. What is missing is a predictive target that captures the navigable geometry an agent actually traverses, without photometric entanglement and without collapsing the third dimension. Our key idea is to model the open volume between buildings, the negative space, encoded as a 3D isovist: a spherical visibility-depth map recording the distance to the nearest surface in every direction. We introduce an embodied world model that predicts the next isovist from a short history of past isovists and a movement action. The prediction is formulated as a depth residual so the decoder inherits sharp building edges, trained with self-rollout scheduled sampling to keep corrupted context on the geometry manifold, and equipped with a persistent latent bird's-eye-view spatial map for cross-path consistency. Our central finding is emergent and unexpected: a single city-blind model trained on Manhattan and Paris develops a cross-city spatial signature, with city identity linearly decodable from its temporal latents far above single-frame baselines, so the signature lives in the learned dynamics rather than in appearance. The representation is lightweight, interpretable, and reproducible, offering a geometric substrate for spatial reasoning in embodied AI, robotics, and urban analysis, released with an open dataset and pipeline.
Authors: Tianhe Wu, Kun Yan, Zikai Zhou, Lihan Jiang, Jiahao Li, Jie Zhang, Kaiyuan Gao, Ningyuan Tang, Shengming Yin, Xiaoyue Chen, Xiao Xu, Yilei Chen, Yuxiang Chen, Yan Shu, Yixian Xu, Yanran Zhang, Zihao Liu, Zhendong Wang, Zekai Zhang, Deqing Li, Liang Peng, Yi Wang, Jingren Zhou, Chenfei Wu
Abstract: Few-step distillation has become an effective strategy for accelerating advanced visual generative models, yet prior work has largely focused on distillation objectives. In this work, we revisit few-step distillation from a complementary perspective, focusing on the training recipe that critically shapes student performance. Using Qwen-Image-2.0 as a representative case, we systematically investigate three factors in unified text-to-image generation and instruction-guided image editing distillation: data composition, teacher guidance, and task mixture. Our empirical analysis reveals several non-obvious behaviors, which motivate the development of Qwen-Image-Flash. Overall, our results suggest that effective few-step distillation requires not only carefully designed objectives, but also principled organization of the broader training pipeline.
Authors: Ibrahim Abdelaziz, Asim Munawar, Kinjal Basu, Maxwell Crouse, Chulaka Gunasekara, Suneet Katrekar, Pavan Kapanipathi
Abstract: Training LLMs to orchestrate multi-step tool calls is held back by three coupled obstacles: realistic stateful execution environments are costly to build, synthetic training queries are often detached from the server's actual state (so the generated tool calls fail to execute), and recall-based RL rewards incentivize verbose tool-calling patterns. We present PROVE (Programmatic Rewards On Verified Environments), a framework with three contributions: (1) a library of 20 stateful MCP (Model Context Protocol) servers exposing 343 tools, enabling live-execution RL training with session-scoped state isolation; (2) a state-machine data synthesis pipeline that generates multi-turn tool-call trajectories grounded in live-sampled server state, so generated queries reference entities that actually exist; and (3) a multi-component programmatic reward with an adaptive efficiency penalty that counters the verbosity incentive of recall-based rewards. We train four models (Qwen3-4B, Qwen3-8B, Qwen2.5-7B, Granite-4.1-8B) with GRPO on the resulting ~13K training examples. On BFCL Multi-Turn, tau2-bench, and T-Eval, PROVE yields improvements of up to +10.2, +6.8, and +6.5 points respectively, demonstrating that this framework yields consistent gains on multi-step tool orchestration across two model families.