Authors: Oleg Miroshnichenko
Abstract: Dynamic pricing in short-term rental (STR) markets presents a distinctive challenge for online learning algorithms: pricing decisions carry significant financial risk, operators require explainability, and market feedback is sparse (one booking outcome per listed night). We introduce the Human-in-the-Loop Gated Bandit (HITL-GB) framework, in which a contextual bandit algorithm generates price recommendations but a human agent retains authority to accept, modify, or reject each recommendation before it is applied. We show that under this approval constraint, historical pricing data -- collected under a prior deterministic policy -- is structurally equivalent to on-policy warm-up data for initialising the bandit's posterior, bypassing the weeks-to-months cold-start period that renders pure online bandit learning impractical in sparse-feedback markets. We formalise the approval-gated reward signal, derive a regularised ridge-regression warm-up procedure from historical episodes, and validate the approach on real STR production data (anonymised urban market, 2 rooms, April 2022 -- April 2026, 1,461 nightly pricing episodes). Our warm-up procedure compresses effective cold-start from ~150 episodes to ~30 episodes when initialising agents from the Hierarchical Factored Thompson Sampling (HF-TS) family. We further argue that the structural equivalence result is domain-agnostic: any high-stakes domain where human approval is legally or operationally required -- including clinical drug dosing, credit origination, content moderation, and radiological diagnosis -- satisfies the same conditions and benefits from the same warm-up strategy. In regulated industries, mandatory human oversight is thus a statistical asset rather than a deployment constraint.
Authors: Anherutowa Calvo
Abstract: The curvature exponent $\alpha$ in $h_k \propto \sigma_k^\alpha$ -- governing how Hessian eigenvalues scale with gradient singular values -- varies systematically across layer types ($\alpha \approx 2$ for convolutions, $\approx 1$ for transformer attention, $< 1$ for MLP up-projections). Why? We prove the Spectral Alignment Decomposition: $\alpha = 2 + d\log\Phi_k / d\log\sigma_k$, where $\Phi_k$ measures alignment between Kronecker factor eigenbases and gradient singular directions. This reduces "why does $\alpha$ vary?" to a geometric question we answer for LayerNorm, residual connections, and softmax heads. The decomposition implies a spectral transfer identity $s = \alpha\gamma$ linking curvature exponent, effective gradient rank-decay $\gamma$, and Hessian decay exponent $s$. The identity is algebraic; its empirical content is that $\alpha$ and $\gamma$, fit on independent data (HVPs vs. SVD), recover $s$ to ~2% median error across 93 layers, five architectures, and three datasets -- with no free parameters. A zeta-function bound on participation ratio shows curvature concentrates onto effectively one direction per layer. As a proof of concept, we derive the architecture-adaptive preconditioner $T(\sigma;\alpha)$ and show that Spectral Newton -- implementing $T$ in the gradient singular basis -- outperforms AdamW on vision benchmarks where $\alpha \approx 2$.
Authors: Md Fahimul Kabir Chowdhury, Gahangir Hossain
Abstract: The development of brain-computer interfaces (BCIs) based on electroencephalograms (EEGs) has advanced significantly mainly to machine learning. Although the majority of earlier research has been on increasing classification accuracy, relatively little focus has been placed on security and robustness. According to recent research, EEG-based BCIs are susceptible to adversarial attacks, which can cause misdiagnosis due to minute, well-crafted disturbances. Evaluating model robustness against such perturbations is therefore critical for ensuring reliable deployment. In this study, we propose a lightweight custom Convolutional Neural Network (CNN) architecture to investigate adversarial robustness in EEG-based BCIs. The suggested method is assessed using two EEG datasets and contrasted with three novel CNN models tailored to EEG, namely EEGNet, DeepConvNet, and SleepEEGNet, under gradient-based adversarial attack scenarios. According to experimental findings, the suggested model continuously performs better in classification under adversarial perturbations compared to baseline models, indicating improved robustness. These findings highlight the potential of lightweight architectures for enhancing the reliability of EEG-based BCI systems under adversarial conditions.
Authors: Jacob Wong, Sohan Singh, Prannaya Gupta, Jin Xing Ang, Kritika Johari, U-Xuan Tan
Abstract: Accurate and generalizable estimation of cognitive workload from electroencephalography (EEG) is critical for human-centered and safety-critical systems. Although EEG is widely used for workload assessment, the consistency of region-level EEG contributions across tasks, datasets, and subjects remains unclear. This paper presents a region-level evaluation framework for EEG-based workload prediction in which models are trained and evaluated using features extracted exclusively from electrodes belonging to anatomically defined scalp regions. We perform a large-scale analysis across four publicly available EEG workload datasets spanning diverse task demands, recording hardware, and electrode montages. Region importance is quantified using a model-agnostic, performance-based approach under both mixed-subject and subject-independent evaluation protocols, with results aggregated using a rank-based strategy to ensure robustness across experimental configurations. Across all datasets and subject-independent evaluations, frontal electrode groups outperform the full-scalp baseline by approximately 15-20% in relative rank position while using substantially fewer electrodes. Fronto-central regions exhibit the most stable predictive utility, whereas posterior and occipital regions contribute less consistently across experimental conditions. These findings indicate that workload-relevant EEG information is most consistently retained within frontal and fronto-central electrode groups, supporting the design of efficient and generalizable EEG-based workload monitoring systems.
Authors: Alejandro Ascarate, Leo Lebrat, Rodrigo Santa Cruz, Clinton Fookes, Olivier Salvado
Abstract: Within-dataset class-split evaluation is widely used as a proxy for fully unconditional out-of-distribution anomaly detection. We show that this protocol can become ill-posed when the held-out anomaly class overlaps the normal mixture in representation space. In this regime, anomaly scores may collapse toward chance or even invert, and the preferred score direction can depend on the unknown anomaly class. We introduce a simple training-free diagnostic, neighborhood class leakage, and show that it predicts score-direction instability across Fashion-MNIST, CIFAR-10, and Imagenette, in both pixel and VAE latent spaces. Our results suggest that class-split AD benchmarks should be treated as geometry-dependent stress tests rather than unconditional evidence of anomaly-detection ability.
Authors: Yuanfang Chen, Peiqiang Yan, Yuntao Shou, Qian Zhao, Xiangyong Cao
Abstract: In computational pathology, Whole Slide Images (WSIs) survival analysis is crucial for patient prognosis assessment, but it faces multiple technical challenges. Although the Transformer captures long-range dependencies through its self-attention mechanism, its $O(N^2)$ time complexity causes a severe computational bottleneck in large-scale WSIs graph structures. The Mamba model breaks through the Transformer's computational bottleneck with linear complexity. But, owing to Mamba's high sensitivity to the order of input data, traditional node sorting methods in Graph Mamba, such as those based on node degree or subgraph size, fail to adequately account for the topological connectivity of graph data. This inadequacy consequently restricts the performance of Mamba's sequential modeling. Moreover, its unidirectional architecture cannot leverage the bidirectional spatial structure of images. To address these challenges, this paper proposes a novel Graph Mamba survival analysis framework based on topology-aware ordering (TopoMamSurv) to adapt to the sequential sensitivity of Mamba. Our visualization experiments further confirmed that the nodes extracted through the topology-aware ordering (TAO) strategy indeed exhibit higher similarity. Furthermore, we designed a bidirectional Mamba module and integrated a Graph Convolutional Network (GCN) to achieve bidirectional spatial context modeling of images, forming a hierarchical feature learning architecture for "local aggregation - global capture." This framework effectively reconciles the contradiction between long-range dependency modeling, computational efficiency, and spatial structure utilization in WSIs analysis through its systematic design of TAO, bidirectional semantic modeling, and hierarchical feature fusion. This framework has been validated for its comprehensive performance advantage on five TCGA datasets.
Authors: Karan Sehgal, Khawar Naveed Bhatti
Abstract: ESG and climate risk data remain fragmented across heterogeneous Scope 1, Scope 2, and Scope 3 reporting environments, while conventional validation pipelines lack provenance aware auditability, hidden drift detection, and reproducibility oriented governance. This paper proposes a deterministic climate risk intelligence framework integrating single source of truth orchestration, temporal anomaly detection, imbalance aware ensemble learning, and explainability oriented governance for auditable ESG validation. To support open reproducibility, we construct and release a synthetic ESG validation benchmark calibrated against publicly reported characteristics of the GHG Protocol, PCAF, and ISSB standards. The methodology incorporates temporal drift analysis, SMOTE based rare event optimization, ensemble learning, provenance aware orchestration, and TreeSHAP based interpretability for governance inspection and audit reconstruction. We evaluate the framework against statistical classifiers, anomaly detection methods, temporal forecasting baselines, and a threshold based system using classification metrics (recall, F1, ROC AUC), calibration metrics (ECE, Brier score), and a governance oriented audit trace completeness metric measuring the fraction of flagged anomalies for which a deterministic source to escalation provenance chain can be reconstructed. Results are reported as mean and standard deviation across stratified five fold cross validation with paired significance testing. The framework reframes ESG reporting toward deterministic climate risk governance infrastructure supporting reproducibility, explainability, and operational auditability.
Authors: Nikola Cenikj, \"Ozg\"un Turgut, Alexander M\"uller, Alexander Steger, Jan Kehrer, Marcus Brugger, Daniel Rueckert, Philip M\"uller
Abstract: Coronary artery stenosis is a common cardiovascular disease, with severe, untreated cases posing significant risks of heart attack. Although coronary (X-ray) angiograms remain the standard for stenosis diagnosis, they are invasive, time- and resource-intensive, and therefore only performed on patients with a high probability of disease based on symptoms and prior clinical tests. However, a subset of patients, especially those without symptoms, may remain undiagnosed. Detecting indications of stenosis from ECGs, which are fast, cheap, non-invasive, and thus routinely acquired even in asymptomatic patients, would support early diagnosis. However, as no reliable stenosis-specific signal has been identified in ECGs, they can not currently be used for stenosis risk stratification. To address this, we introduce StenCE, a pretraining framework, allowing stratification of patients based on features derived directly from ECGs. Evaluations across varying stenosis severity thresholds and additional ECG disease classification tasks demonstrate consistent performance improvements across different ECG encoders, outperforming previous work. The obtained models successfully detect signals for stenosis diagnosis in ECGs and are the first to achieve high performance in severe stenosis classification. The source code is available at https://github.com/NikolaCenic/ecg-stenosis-cls.
Authors: Yang Xu, Zihuai Xu, Hongli Xu, Yunming Liao, Zhiwei Yao, Xitong Fu
Abstract: Large Language Models (LLMs) are increasingly deployed as continuously evolving services, where frequent base-model updates may invalidate previously deployed task-specific Low-Rank Adaptation (LoRA) adapters. For service providers managing numerous downstream model services, retraining each LoRA adapter from scratch for every updated base model is computationally prohibitive and delays service rollout. Meanwhile, the simpler alternative, i.e., naively applying the original LoRA adapter to the updated base model, often leads to degraded service quality due to adapter-backbone incompatibility. To address this problem, we propose ReLoRA, a knowledge-reusing re-adaptation framework that efficiently restores service-ready LoRA adapters for evolving LLM services while preserving or improving task performance. Specifically, ReLoRA comprises two key optimization steps: 1) Adaptive LoRA initialization leverages Bayesian optimization to construct a compatibility-aware starting point by fusing information from both the previously deployed task adapter and the base model's evolution; 2) Fine-tuning with scheduled regularization first rapidly steers the adapter to a high-quality region via strong regularization, followed by relaxed regularization for task-specific refinement. This design enables rapid service-quality recovery with reduced re-adaptation overhead. Extensive experiments demonstrate that ReLoRA reduces time-to-readiness by up to 8.9$\times$ and improves accuracy by up to 4.6\% compared to baselines.
Authors: David Turtora Zagardo
Abstract: Tabular synthesis is critical for privacy-preserving sharing and augmentation, yet diffusion models rely on implicit mechanisms to capture inter-column relationships. We introduce Geometry-Aware Tabular Diffusion (GATD), which augments tabular diffusion denoisers with pairwise angles and lengths computed from column value differences and used as inputs and auxiliary targets. Our MLP instantiation achieves state-of-the-art benchmark performance while using 3.5x fewer parameters on average (up to 25x for classification tasks): on ten datasets, it wins 8/10 Shape, 7/10 Trend, and 9/10 downstream utility (F1/RMSE), reducing Shape and Trend error by 27% and 20%. Default loss weights transfer to GNN and Transformer denoisers, improving Shape on 27/30 and Trend on 25/30 architecture-dataset cells. A matched ablation shows supervision (not extra inputs or capacity) drives the gain. This shows explicit relational supervision is a portable inductive bias for tabular diffusion.
Authors: Leonid Berlyand, Theo Bourdais, Houman Owhad, Yitzchak Shmalo
Abstract: We study a Marchenko--Pastur (MP) random-matrix approach to pruning deep neural networks with very small post-pruning fine-tuning budgets. The main practical contribution is accuracy retention under short calibration and fine-tuning schedules, rather than a long post-pruning reoptimization pipeline. The theory gives deterministic data-path certificates: if the removed component $R$ has small propagated logit effect $L_s \| R \psi_1(s) \|_\infty$, pruning decreases an elastic-net objective and preserves samples whose dense margin exceeds twice the perturbation. The zero-budget case gives perfect pruning; a prune--restore extension models weight restoration inside a fixed sparse-execution pattern; and an additive $L_2$-regularized model shows admissible random-like components vanish at the training limit, with persistent spikes stabilizing as the MP bulk collapses. Under iid-Gaussian sufficient conditions, the fitted MP edge $\sigma_+$ gives a high-probability layerwise budget signal. On ImageNet-1k, after only three distillation epochs, ViT-B/16 $2{:}4{+}$ToMe reaches $83.41\%$ top-1 ($-1.70$ pp from dense) at $59.81\%$ sparse-execution MAC reduction, with $1.388\times$ best-observed A40 native-$2{:}4$ backend speedup for the same checkpoint and ToMe graph; a separate no-ToMe A100 endpoint gives $2.705\times$. At structured sparsity, ViT-B/16 $6{:}12$ reaches $83.74\%$, ViT-L/16 $8{:}16$ dense+permutation reaches $85.33\%$ ($-0.51$ pp), and ConvNeXtV2-Base $12{:}16$ reaches $86.35\%$ ($-0.37$ pp). For CNNs, ResNet50 $8{:}16$ dense+permutation reaches $75.87\%$ ($-0.26$ pp), and ResNet152d CAST-conv+permutation reaches $81.33\%$ ($-1.53$ pp) at ${\sim}50\%$ MAC accounting with a $1.62\times$ A40 im2col$+2{:}4$ sparse-GEMM audit.
Authors: Jan Bauer, Celeste De Schamphelaere, Adam Karvonen, Niclas Luick, Neel Nanda
Abstract: Activation Oracles (AOs) are promising methods for interpreting residual stream activations. However, current AOs face important issues, such as hallucinations and vagueness. Additionally, text-inversion confounds make them hard to evaluate. To this end, we improve the Activation Oracle (AO) training regime in four ways: training on on-policy rollouts, improving the conversational dataset, feeding more layers and an improvement to the injection formula. The capability improvements are marginal, but quality of life improvements are quite substantial. In addition, we open source the first comprehensive evaluation suite for AO quality, which we call AObench. Overall, we hope that our work sets a foundation that helps improve AOs and other models in the paradigm of scalable, end-to-end interpretability.
Authors: Aizierjiang Aiersilan
Abstract: We investigate whether open-source LLMs encode a linearly separable truthfulness signal in their hidden states, and at which network depth this signal is strongest. Across three $7$B--$8$B instruction-tuned models (Llama-3.1-8B, Mistral-7B, Qwen2.5-7B) loaded in $4$-bit NF4 quantization, we extract per-layer hidden states on four hallucination benchmarks (TruthfulQA, HaluEval-QA, FEVER, and a controlled synthetic set) and compare four detection approaches: linear and MLP probes, INSIDE EigenScore, self-consistency, and attention entropy. A linear probe on a single mid-network layer achieves $0.904$--$1.000$ AUROC on held-out splits, while sampling-based detectors do not exceed $0.541$ AUROC under the same protocol. The truthfulness signal is approximately linear: MLP probes rarely surpass linear probes by more than $0.01$ AUROC. Peak probing layers fall in a consistent band across model families on natural-language benchmarks -- blocks~$13$--$18$ of~$32$ for Llama and Mistral, and blocks~$19$--$25$ of~$28$ for Qwen. First-block attention entropy provides a complementary signal in knowledge-grounded settings ($0.866$--$0.941$ AUROC on HaluEval-QA) at no additional inference cost. The low discriminability of sampling methods under this protocol reflects a structural mismatch between paired-label evaluation and the information these methods access, rather than an inherent limitation of those methods. Code and data are released for full reproducibility on a single $8$\,GB GPU.
Authors: Prince Poudel
Abstract: The standard generalization bounds assume that the training and deployment distributions are the same, or are static, and don't consider regime switching environments where the ratio of calm vs crisis states is different. This paper proposes a framework that generalizes regime-aware models by quantifying the extra risk due to regime composition mismatch, when distribution shifts are Markov-switching. We obtain an exact decomposition, separating regime mismatch from regime sensitivity; we extend the bound to beta-mixing data using the effective sample size corrected for the spectral gap; and we show a minimax lower bound for synthetic data and on 25 years of global equity indices. The proposed penalty is an ex post realized generalization gap, whereas the training-only estimator does not show significant correlation: the feature geometry of crises can be detected, but not the temporal arrival. Thus, the framework is not a forecast machine. Forecasting the composition of the future regime is an open question in the rare cases of regime change.
Authors: Dong Li, Lingling Zhang, Binghao Han, Linlin Ding, Yue Kou
Abstract: Multimodal data fusion involves integrating and analyzing information from multiple modalities to uncover latent correlations and complementary patterns, thereby enhancing data processing and decision-making. While existing methods for structured multimodal inputs are typically designed around specific tasks and assume fully observed modalities, real-world applications often suffer from uncertain or missing modality inputs due to various factors. Some traditional models overly emphasize local interactions within missing modalities, neglecting the global complementary cues embedded in multimodal representations. To overcome these limitations, we propose a Dynamic Multimodal Data Fusion model based on Contrastive Learning (CL-DMDF). CL-DMDF introduces a novel attention mechanism that operates across both feature and modality dimensions to compute reliable attention scores, effectively reflecting importance at each level. The CL-DMDF further incorporates an entity-centroid contrastive learning module that constructs centroid-based positive samples from entity features to enhance discriminative learning. Additionally, an adaptive fusion module is employed to improve the efficiency and accuracy of dynamic fusion strategies. Extensive experiments conducted on three datasets demonstrate the effectiveness of the CL-DMDF across diverse multimodal fusion tasks.
Authors: Vivin Vinod, Peter Zaspel
Abstract: Machine learning has accelerated quantum chemistry but is hindered by the prohibitive cost of generating high fidelity training data. Multifidelity machine learning (MFML) mitigates this overhead by systematically combining abundant low fidelity data with sparse high fidelity data. In spite of its success, standard MFML schemes rely on pre-defined scaling factors to determine sparse data ratio across fidelities, often generating redundant multifidelity data resulting in a loss of efficiency. Here, we introduce an adaptive on-the-fly multifidelity framework for machine learning that autonomously determines training dataset composition. By dynamically querying training samples at each fidelity, the algorithm saturates model accuracy at lower fidelities before moving up to more expensive reference calculations. We benchmark the novel adaptive-MFML across diverse chemical properties including the computational chemistry gold standard coupled cluster energies, and the more chemically challenging excitation energies. In our numerical experiments we show that our adaptive algorithm reduces data generation costs by up to a factor of 30 compared to single fidelity methods and improves upon standard MFML by up to a factor of 5. The mitigation of data redundancy establishes a high-accuracy low-cost pathway for sustainable cost-aware machine learning in quantum chemistry.
Authors: Saptarishi Dhanuka (Ashoka University), Sarvesh Iyer (Ashoka University), Manmeet Singh (Western Kentucky University), Mihir More (Ashoka University), Rushil Gupta (Ashoka University), Dhruman Gupta (Ashoka University), Parthasarathi Mukhopadhyay (Ashoka University), Sandeep Juneja (Ashoka University)
Abstract: Recent advances in machine learning have produced probabilistic weather forecasting models comparable to state-of-the-art numerical weather predictors. But no model consistently dominates spatio-temporally, and relative performance is highly context-dependent. This motivates adaptive methods for combining multiple forecasts to obtain improvements and robustness. While combined forecasts have been proposed in the literature, these are achieved either through supervised learning or through prediction with expert advice methods. We introduce AdaWeather, an adaptive framework that combines many probabilistic forecasts using both machine learning as well as mixture of experts to arrive at a unified improved probabilistic forecast. While traditional expert methods develop the regret bounds with respect to the best single expert in hindsight, we extend the algorithm and analysis to show our method has logarithmic regret compared to the best static mixture of experts in hindsight. Empirically, we focus on forecasting temperature, and observe improvements over existing methods.
Authors: Marc Pinet (LIG), Julien Cumin (LIG), Samuel Berlemont (LIG), Dominique Vaufreydaz (LIG)
Abstract: Many recent multivariate time series anomaly detection (MT-SAD) 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 crosschannel 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 79% 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 channelwise 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: Itai Zilberstein, Ioannis Anagnostides, Tuomas Sandholm
Abstract: Machine learning predictors have become essential tools for guiding automated decision making. However, a major misalignment persists: predictive models are typically optimized in terms of standard statistical metrics in isolation from the algorithmic tasks they inform. We highlight this incongruity in the high-stakes domain of organ allocation by demonstrating that any algorithm relying on (even highly accurate) survival predictors optimized for standard metrics -- such as the Concordance index (C-index) -- can yield arbitrarily poor outcomes when used for allocation, failing to guarantee utility better than a uniform random selection. To bridge the gap between survival analysis and policy optimization, we introduce a decision-focused learning approach based on optimizing normalized discounted cumulative gain (NDCG), a mainstay metric in information retrieval. We establish the utility of NDCG in survival analysis by proving that it translates to guarantees on the performance of allocation. Empirically, we propose a bootstrapping approach to optimize the NDCG of existing survival models. Unlike prior work, we also address the challenge of right censorship when evaluating ranking. On historical heart transplant data from the US, our method dramatically boosts the NDCG of baseline models by 50-100%, which translates to tens of thousands of additional life years gained annually when deployed for transplant allocation. We anticipate that our framework will find broader applications in decision making with predictions.
Authors: Jiyuan Liu, Liangwei Nathan Zheng, Wei Emma Zhang, Xinpei Wang, Weitong Chen
Abstract: Multimodal systems often benefit from combining information across language, sound, and visual streams, but this benefit is not guaranteed. A modality that is useful for one input may become distracting for another, and local feature responses within the same modality can disagree with evidence from other sources. This work investigates how to adjust multimodal representations before they are merged by a downstream predictor. We develop a compact calibration module that compares each modality with the others at the summary level, extracts cues of cross-source support and conflict, and converts these cues into instance-wise and dimension-wise modulation signals. The calibration is applied to the original modality features rather than to already fused representations, enabling the model to suppress misleading components, preserve weak but useful evidence, and emphasize responses that are better supported by the current multimodal context. The module is designed as a plug-in component and can be attached to different fusion backbones without changing their prediction heads. Across five benchmarks covering sentiment understanding, action recognition, audio-visual event detection, and audio-visual emotion classification, the proposed pre-combination calibration strategy improves performance under both sequence-based and convolutional fusion settings. Additional analyses under modality removal, synthetic corruption, training dynamics, and feature-level visualization show that calibrating signals before fusion can reduce interference from unreliable modalities and produce more stable multimodal optimization.
Authors: Zhibo Yang
Abstract: Sparse causal attention is usually described by sequence locality: nearby tokens should remain easy to access, while distant tokens may be dropped to reduce cost. This paper studies a mismatch between sequence locality and attention-graph reachability. In fixed block causal attention, two adjacent tokens can be disconnected in the attention graph at every depth. We formalize this boundary artifact through structural dependency sets: if every attention layer uses the same fixed block causal mask and all remaining operations are positionwise, a target representation can depend only on tokens in its own block prefix. This yields an architecture-level boundary-copy separation for a constructed K-way boundary-copy distribution, with top-1 accuracy upper bound 1/K and expected cross-entropy lower bound log K. We then derive phase-conditioned coverage functions showing that reachability depends on both source-target distance and the target's offset within its block. These coverage laws predict when a sparse pattern should fail, when a repair can help, and why sliding-window attention and boundary repair are not interchangeable. Boundary Bridge Attention is treated as a constructive witness: it preserves the fixed block path and adds zero-additional-parameter auxiliary causal edges near block boundaries using shared projections. Controlled 1024-token experiments show that gains concentrate in coverage-aligned diagnostics. As secondary external-validity evidence, a fixed-checkpoint 8K-token Qwen2.5-7B probe shows the same coverage-incomparability pattern. The contribution is a theory-guided diagnostic framework for locality-reachability mismatch in block-sparse causal attention, together with phase-conditioned coverage analysis and a minimal constructive repair.
Authors: Yuying Li, Leqi Zheng, Yongzi Yu, Wenrui Zhou, Xuchang Zhong, Xing Hu, Jing Jin, Huangjie Yuan, Tao Feng
Abstract: On-Policy distillation (OPD) in large language models is shifting from full-trace KL supervision toward more selective training paradigms. Recent OPD methods increasingly focus on selecting which trajectories to learn from, which tokens are most informative, and which supervision signals are most reliable. Motivated by this trend, we rethink optimization granularity of OPD and propose \fireicon\ FiRe-OPD (Filter, then Reweight), which jointly adjusts supervision signals at both trajectory and token levels. In details, FiRe-OPD first filters trajectories to remove low-quality rollout samples, and then applies soft reweighting within the retained trajectories to emphasize informative tokens. Compared with hard token selection, FiRe-OPD leverages a soft-weighting mechanism to effectively mitigate information loss and enhance optimization stability, thereby achieving finer-grained OPD optimization. We validate the effectiveness of FiRe-OPD across strong-to-weak, single-teacher, and multi-teacher settings, and demonstrate its superiority over recent token-level OPD methods ( (e.g., +6.25 on AIME 2024 in strong-to-weak, +18.81 on Miner in multi-teacher). Our code is available at https://github.com/YuYingLi0/FiRe-OPD.
Authors: Peixuan Han, Hongyi Du, Jiayu Liu, Yihang Sun, Yutong Liu, Jiaxuan You
Abstract: Personalization is a crucial capability of modern language agents. However, current research primarily positions personalized agents as passive responders to user preferences, limiting their ability to interact with users and provide suggestions or guidance proactively. To systematically evaluate such proactive personalization in realistic interactions, we propose $\Psi$-Bench, a benchmark for assessing LLMs' ability to influence realistic users through conversation. We design three real-world interaction scenarios that involve persuasion in $\Psi$-Bench, and endow simulated clients with personal characteristics through explicit user profiles derived from dialogue histories. We evaluate 10 frontier LLMs on $\Psi$-Bench and find that while most models can produce coherent and reasonable arguments, even state-of-the-art models still leave considerable room for improvement in persuasion. We also find that providing access to client profiles yields an average performance gain of 18.24\%, highlighting the importance of user-specific information for effective persuasion. Overall, our work highlights persona-sensitive influencing as a challenging yet practical direction for evaluating and developing more proactive personalized LLM agents. Codes are available at: https://github.com/Hanpx20/Psi-Bench.
Authors: Vishal Hariharan, Salar Basiri, Kanwar Bharat Singh
Abstract: Knowledge of real-time road slipperiness, or even better, a refined estimate of peak grip potential, is a critical input for vehicle warning and intervention control systems. Typically, friction is estimated through dynamics-based recursive estimators by calculating the slip slope; however, its efficacy is heavily constrained by the vehicle dynamic scenario. When the vehicle is cruising and there is little to no slip, these methods become ineffective due to the inability of present-day production-grade sensors, such as wheel speed sensors, and methods to either measure or accurately estimate micro slip, which is crucial for distinguishing different surfaces. To address this challenge, the correlation between vehicle signals and road surface condition during cruising needs to be uncovered using machine learning. In this paper, a feature-based framework and an end-to-end data-driven framework are used to correlate the statistics of vehicle dynamics behavior with the condition of the road surface and perform binary classification into grip, dry or damp, and slip, snow or ice, conditions. A sliding-window approach is adopted to batch a short buffered window of wheel speeds, wheel torques, longitudinal acceleration, steering angle, and yaw rate, which are fed into a machine learning module for predicting the road state. Validation results on public-road data show scenarios where the data-driven method identifies the road surface correctly even during cruising, showing promise for accurate data-driven friction-related state estimators in the field of tire and vehicle dynamics.
Authors: Alexander Guha
Abstract: Model dimension ($d_{model}$) is a fundamental hyperparameter in transformer language models, yet its role in setting the geometric limits of feature representation remains under-explored. Grounded in the Linear Representation and Superposition Hypotheses - which propose that models encode features as near-orthogonal directions in latent space - we develop a framework for estimating how many such directions a model can support. We first establish the embedding matrix as a measurable proxy for near-orthogonality constraints across the latent space: the boundary between meaningful token relationships and incidental similarity in the pairwise cosine similarity distribution gives a concrete estimate of the model's accepted deviation $\varepsilon$ from perfect orthogonality. Applying this metric across dozens of open-source models reveals two classes: models with high $\varepsilon$ whose embeddings lack near-orthogonal structure, and models with low $\varepsilon$ that maintain it. We then show that the standard Johnson-Lindenstrauss lemma greatly underestimates the packing efficiency of trained representations, and derive an adjusted capacity formula in which the number of near-orthogonal directions depends on the ratio of vectors to dimensions ($k/d$) rather than the raw count - a single modification that cuts prediction error by two orders of magnitude with no extra parameters. Combining these results, we define representational capacity as an upper bound on the number of distinguishable directions available for features and embeddings in a model's latent space. Capacity is exponentially sensitive to $\varepsilon$, and larger models favor tighter orthogonality constraints over maximizing raw capacity - a pattern compatible with several explanations (a stability-capacity trade-off, a ceiling on usable concepts, or confounds with model scale) that we leave to future work.
Authors: Aritra Bal, Michael Binder, Markus Klute, Benedikt Maier, Michael Spannowsky
Abstract: Large machine learning models benefit substantially from multimodal inputs that provide a complementary view of the same example. We introduce QUIVER (QUantum-Informed Views for Enhanced Representations, a paradigm that enriches classical data-driven features with a quantum Fisher view: a geometrically motivated, basis-independent summary of higher-order correlations captured by a variational quantum circuit (VQC) trained to perform the same task. Unlike classical feature augmentation, the quantum Fisher information matrix encodes the intrinsic geometry of the learned quantum state manifold. While this feature map, motivated by quantum information theory, is ordinarily non-trivial to model classically, it can surface statistical structure that additional classical data or model capacity finds difficult to learn. This makes the quantum Fisher view a genuinely complementary modality rather than a redundant one. We demonstrate that QUIVER improves standard performance metrics on two benchmark datasets from very different fields: QM9 for predicting molecule properties, and JetClass for predicting jet flavor at the Large Hadron Collider (LHC). The core contribution, however, is domain-agnostic: the quantum Fisher view can be fused into a broad class of model architectures via targeted modifications to the base architecture, to incorporate information about the quantum geometry of the problem. These results demonstrate that quantum-geometric features, extracted from simulated variational circuits, can deliver measurable value for standard machine learning tasks, well before the advent of fault-tolerant quantum hardware.
Authors: Chi-Wei Huang, Chia-Chi Tsai
Abstract: Two-bit weight quantization is attractive for memory-efficient LLM inference, but the standard W2 level set {-2,-1,0,+1} often collapses under aggressive W2A4/KV4 settings. We study the scalar level-set geometry of two-bit weights in a Hadamard-rotated quantization pipeline. Conventional asymmetric W2 substantially improves over the standard level set, indicating that W2A4 failure is not only a bit-width problem but also a reconstruction-level problem. Across all 224 linear modules in each of LLaMA-2-7B and LLaMA-3.1-8B, pretrained weights are already nearly zero-centered, while Hadamard rotation primarily Gaussianizes their standardized shape: excess kurtosis and Q-Q error drop by orders of magnitude. Based on this approximate zero-centered Gaussian-like source model, we propose Qift, a fixed no-zero W2 level set for rotated W2A4/KV4 inference. The main level set is {+/-0.5, +/-1.5}, equivalently {+/-1, +/-3} under a half-scale reparameterization; a power-of-two variant uses {+/-1, +/-4} for sign-and-shift decoded weight application. Qift redesigns the fixed two-bit code-to-level mapping and is training-free, learned-codebook-free, group-grid-free, and zero-point-free, retaining the standard per-channel scale. A scale-invariant ratio analysis identifies an effective inner/outer centroid ratio range of 0.25 to 0.33, explaining why mirror no-zero (MNZ), Lloyd, NF2, and PoT-MNZ perform well while {+/-1, +/-2} does not. On both models, the no-zero level sets consistently improve pure W2A4 perplexity, L-layer mixed W2/W4 perplexity, downstream accuracy, and GPTQ residual behavior over the standard W2 level set. At L=16 mixed precision, they substantially narrow the gap to W3A4 while keeping half of the transformer layers at two-bit precision, giving a simple, source-aware, and deployment-friendly alternative to more complex learned W2 codebooks.
Authors: Arda Fazla, Abolfazl Hashemi
Abstract: Real-world datasets often contain spurious correlations that are not causally related to the target label. When such correlations dominate the majority of training samples, models tend to rely on them, leading to misclassification of minority samples that do not exhibit the same spurious patterns. While a potential approach is to select subsets of data to better represent the minority samples, this may require access to group labels, which are typically unknown. Furthermore, as we demonstrate, widely used sample scoring functions in the invariant subset or coreset selection literature largely depend on spurious features and therefore fail to accurately capture the importance or difficulty of core, causally relevant features. Accordingly, we propose to mitigate spurious correlations by developing a two-stage sample scoring function that disentangles the learning dynamics of core and spurious features and evaluates their difficulty separately. Based on our proposed metric, we introduce a new algorithm to find and prioritize informative samples both with and without spurious correlations. Extensive experiments demonstrate that a standard ERM model trained on our selected samples achieves superior performance compared to state-of-the-art debiasing techniques, while requiring as little as 10\% of the original training data.
Authors: Sigurd Gaukstad, Melvin Vaupel, Valdemar Karg{\aa}rd Olsen, Erik Hermansen, Benjamin Dunn
Abstract: Deep neural networks learn representations where individual features often lack interpretable meaning; a single neuron may activate for scattered, unrelated inputs. We introduce coherence, a geometric property inspired by neural coding in the brain, where neurons like grid cells and head direction cells respond to contiguous regions of state space. A non-negative matrix is coherent if each row (sample) attends to geometrically clustered columns (features) and vice versa, and in addition every sample is well described by some feature and every feature is needed by some sample. We prove that coherent matrices induce a bounded interleaving between the Vietoris-Rips filtrations of samples and features, guaranteeing that both spaces share compatible topological structure. This geometric constraint facilitates interpretability. For example, if data lies on a circle, coherent features must tile that circle into contiguous arcs. We introduce Coh, a differentiable objective function based on Fr\'echet variance that enforces coherence during training. Unlike sparsity, which bounds how many samples a feature activates on, coherence bounds which samples, requiring geometric connectivity rather than only rarity. This yields not just interpretable features but an interpretable feature space. We validate Coh in an auto-encoder using synthetic and rotated MNIST datasets and in a token embedding of BERT using language data.
Authors: Yixian Shen, Zhiheng Yang, Qi Bi, Changshuo Wang, Shuai Wang, Jia-Hong Huang, George Floros, Prayag Tiwari, Anuj Pathania
Abstract: Multimodal spatial reasoning often relies on long chains of intermediate textual and visual thoughts, where accumulating visual tokens and dense cross-modal attention incur substantial computation and memory overhead. To address this challenge, we propose Spectral-Progressive Thought Flow (SpecFlow), a novel lightweight multimodal spatial reasoning framework that represents intermediate visual thoughts in a fixed-size discrete cosine space. By exploiting strong energy compaction, SpecFlow preserves global layout and relational structure while introducing high-frequency details only when increased spatial precision is required. To align visual state evolution with linguistic intent, classifier-free guidance enables autoregressive textual thoughts to steer flow-based updates of the visual workspace/state without expanding the context. As a result, SpecFlow maintains a bounded visual workspace whose updates depend only on the current visual state and accumulated textual trace, enabling long-horizon inference with stable latency and memory usage independent of reasoning depth. Empirical results show that SpecFlow achieves competitive or superior reasoning performance while reducing computation and KV cache costs by up to 2.1 times.
Authors: Vinicius Bortolini, Gilson Adamczuk Oliveira, Erick Oliveira Rodrigues, Matheus Henrique Dal Molin Ribeiro
Abstract: Interval wind speed forecasting is essential for the efficient integration of wind energy into power systems, as it accounts for the inherent uncertainty of wind resources. This study presents a systematic literature review focused on hybrid approaches to interval forecasting of wind generation, exploring the combination of deep learning, modal decomposition, and statistical methods. To guide the paper selection, Latent Dirichlet Allocation (LDA) was applied for topic modeling, enabling the identification of patterns and research trends. The findings emphasize that integrating hybrid models with decomposition techniques-such as Variational Mode Decomposition (VMD) and Ensemble Empirical Mode Decomposition (EEMD)-enhances forecast accuracy and reliability by narrowing prediction intervals without compromising coverage. Regarding interval construction, most studies adopt a dual-model strategy, independently forecasting the lower and upper bounds. Input data are commonly decomposed using techniques like EMD, EEMD, or VMD, which extract frequency-based components. These components serve as inputs to models such as LSTM or ELM, trained separately for each bound. This approach allows for targeted modeling of uncertainty, improving flexibility and precision, Interval quality is typically evaluated through metrics that balance coverage and interval width. The review also highlights challenges, including the lack of standardized evaluation metrics, computational complexity, and limited real-world validation. Overall, the study reinforces the value of interval forecasting for wind energy operations and offers insights for advancing model robustness and decision-making.
Authors: Jainam Dhruva, Yousaf Raza, A. B. Siddique, Simone Silvestri
Abstract: Accurate short-term forecasting of residential energy load and indoor temperature is essential for home energy management systems, grid-level demand response, and community energy efficiency efforts. Domain adaptation and transfer learning have shown promise for improving forecasting accuracy under data heterogeneity and scarcity commonly seen in residential settings. However, progress is limited by the lack of comprehensive residential datasets: existing benchmarks are narrow in target coverage and rarely support structured cross-domain evaluation. We introduce RESCAST-100K, a large-scale residential forecasting benchmark for studying cross-domain generalization. It provides a configuration-driven interface that instantiates source and target domains along interpretable axes, including geography, climate zone, wall construction, and heating equipment, enabling systematic evaluation of transfer learning, domain adaptation, and zero-shot generalization under controlled domain shifts. The benchmark covers approximately 100,000 EnergyPlus-simulated U.S. homes derived from ResStock, with 15-minute time series for three coupled targets per home: total load, HVAC load, and indoor temperature. These are paired with weather channels, HVAC setpoints, and over 40 static building covariates. RESCAST-100K also integrates five real-world residential datasets under a unified schema, supporting sim-to-real evaluation on the same tasks. We benchmark recurrent, attention-based, and MLP-mixer architectures for zero-shot performance across domains, missing-input conditions, and forecasting tasks. Cross-attention and MLP-mixer models consistently outperform recurrent and classical transformer baselines under domain shift. RESCAST-100K is intended to aid the machine learning and building analytics communities advance cross-domain residential forecasting at home, community, and grid scale.
Authors: Liyan Tan, Yequan Zhao, Yifan Yang, Ruijie Zhang, Xinling Yu, Zheng Zhang
Abstract: Zeroth-order (ZO) optimization is a memory-efficient alternative to backpropagation for fine-tuning large language models, but its deployment is limited by the high variance of gradient estimation. We propose GRZO, a Group-Relative Zeroth-Order optimizer that draws one pseudo-independent perturbation per mini-batch example and aggregates the per-example losses through group-relative normalization, raising the effective gradient-direction count from one to the batch size at no additional forward cost while preserving inference-level memory. We prove that GRZO is directionally unbiased with variance shrinking proportionally to the batch size, yielding a tighter nonconvex convergence bound than MeZO. Across RoBERTa-large, Llama3-8B, and OPT-13B over multiple tasks, GRZO improves average accuracy on Llama3-8B by $+3.0$ over MeZO at $23\%$ lower peak GPU memory; as a drop-in replacement for the MeZO core, it lifts sparse, low-rank, and quantized ZO variants by $+6.0$ on average.
Authors: Archie Chaudhury
Abstract: Catastrophic forgetting is often framed as a representational problem: after sequential training, a model appears to lose the features that supported performance on earlier tasks. We challenge the stronger form of this view. Across controlled continual-learning settings, we find that a significant portion of apparent forgetting can be attributed to interface drift between internal stages rather than permanent erasure of task-relevant computation. We study this phenomenon through a stitched evaluation protocol that combines early computation from a post-update network with late computation from its predecessor, optionally mediated by a compact, task-specific transport key. We describe transport keys at a systems level as compact interface-alignment operators estimated from a small set of paired anchor activations and evaluated through model stitching. On split CIFAR-100 with a ResNet-style network, transport keys recover most of the original Task A performance after sequential training on Task B. On a compact vision transformer, we observe a similar recovery pattern. These results suggest that continual learning may require better mechanisms for indexing and re-accessing latent computations, not only methods that prevent weight change.
Authors: Jong-Ik Park, Shreyas Chaudhari, Carlee Joe-Wong, Jos\'e M. F. Moura
Abstract: Randomized smoothing (RS) uses a smoothed classifier to provide architecture-agnostic certificates of $\ell_2$ classification robustness, but its dependence on per-input Monte Carlo (MC) sampling undermines its use in real-time systems. We argue that this cost is structural rather than fundamental, such that it can be significantly reduced by sharing information across the deployment stream. We introduce RRISE, an RS framework that compresses certification into a single forward pass through a learned surrogate. RRISE trains the surrogate against precomputed MC class-count targets via a soft-label cross-entropy loss and converts surrogate predictions into provably conservative certified radii through a one-time conformal calibration step. The resulting certificate is deployment-verifiable: whenever the calibrated radius is positive, the surrogate's prediction provably matches the smoothed classifier's and the smoothed classifier is constant on a ball of that radius around the input. Across image classification benchmarks, RRISE matches fixed-budget MC certified accuracy within $0.84$ percentage points while replacing up to $10^4$ noisy base-model evaluations per query with a single surrogate forward pass, recouping MC training cost after $\approx 10^5$ deployment queries. On CIFAR-100 and Tiny ImageNet, where the only prior offline-surrogate method collapses, RRISE achieves $1.23$ to $1.91\times$ higher certified accuracy, establishing efficient randomized smoothing as a practical path to certified robustness in repeated-deployment settings.
Authors: Sanjit Dandapanthula, Nicholas M. Boffi
Abstract: Reward guidance algorithms steer a learned generative process toward the reward-tilted measure at inference time. While empirically powerful, these methods are prone to reward hacking: the guided model over-optimizes the reward at the cost of fidelity to the learned distribution. Prior work has attributed this to the complexity of neural reward functions or implicit biases in diffusion training, but its fundamental origins remain poorly understood. We show that reward hacking arises from an approximation made in most practical implementations of reward-guided diffusion -- finite-particle plug-in estimation of the Doob h-function -- even in the simplest non-trivial settings of Gaussian and Gaussian mixture targets with quadratic rewards. In closed form, we isolate two distinct failure modes of the plug-in estimator: it leads to reward hacking within each mode and it cannot select high-reward modes. We propose a closed-form reward damping schedule that corrects the within-mode bias with no additional compute, and clarify the role of best-of-n sampling in compensating for the mode selection failure. Experiments on Gaussian mixture targets, a 2D checkerboard, and FLUX.1 text-to-image generation confirm that our theoretical insights carry over to practical settings.
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: Ryan Swart, Johannes Brust
Abstract: Symmetric nonnegative matrix factorization (Symmetric NMF) approximates a matrix as $WW^T$ with nonnegative rectangular factor $W$. It has broad applications in graph clustering and machine learning. In contrast to the NMF, projected gradient methods for the symmetric problem had been associated with slow convergence. To address this, we introduce SNMPBB, the first adaptation of nonmonotone projected Barzilai-Borwein methods to Symmetric NMF, demonstrating that gradient algorithms are significantly more effective than previously understood. We further extend SNMPBB to graph clustering using the graph Laplacian regularization (Graph-SNMPBB) and to large problems with low-rank approximations (LAI-SNMPBB). For all variants we prove global convergence to first-order stationary points and also that Barzilai-Borwein curvature information is preserved with randomized approximations. On synthetic data, SNMPBB achieves 6 times speedup over the alternative SymANLS for similar residuals, with advantages growing at higher ranks. Across six real-world clustering benchmarks, Graph-SNMPBB matches or exceeds SymANLS accuracy. Lastly, LAI-SNMPBB outperforms state-of-the-art LAI-SymPGNCG on 34 SuiteSparse matrices in both runtime and residual quality.
Authors: Jiahao Shao, Xudong Wang, Anam Nawaz Khan, Christopher Brett, Xueping Li, Bing Yao
Abstract: Breast cancer recurrence, a leading cause of long-term mortality among survivors, requires timely and accurate risk assessment to guide follow-up care and treatment planning. Traditional predictive models, often limited to either structured or unstructured data alone, struggle to capture the full clinical context. This study examines the impact of integrating multi-modal clinical data, including treatment records, pathology reports, and clinician notes, on recurrence prediction. By integrating a rule-based regular expression extraction mechanism with a rigorous precedence-based conflict reconciliation strategy, our approach effectively recovers definitive tumor characteristics from free-text pathology narratives to augment structured records. We also benchmark performance against commonly used feature sets from prior breast cancer studies to assess the added value of multi-modal integration. Single-source and multi-modal inputs are evaluated across a range of machine learning models. Results show that multi-modal integration consistently improves predictive accuracy compared to single-modal methods.
Authors: Federico Di Gennaro, Alexander Shevchenko, Fanny Yang
Abstract: Language-model unlearning updates a trained model to behave as if it had not seen selected training examples, while preserving utility and avoiding costly retraining. Existing approaches typically fine-tune the pretrained model with a fixed training budget and select the final model afterwards by evaluating several saved checkpoints on downstream validation data. Two sources of unnecessary computation limit scalability: training beyond the desired forget-retain trade-off, and checkpoint selection that requires extra storage and repeated evaluations. To address these limitations, we introduce MArgin Self-Correction (MASC), an efficient unlearning method with an online stopping rule that does not require downstream evaluation. Given a text sequence to be forgotten, MASC actively reduces the logit gap between the original next token and the most likely alternatives. It outputs a final model once this gap is small on average over a sufficiently large proportion of token positions across all forget sequences. On TOFU, MUSE News, and MUSE Books, MASC achieves a competitive forget-retain trade-off at a fraction of the computational cost of existing baselines. We further observe that as we increase model size (a.k.a. number of parameters), the trade-offs improve for both MASC and SimNPO -- the forget metrics remain comparable while retain utility increases.
Authors: Mingtao Xia, Qijing Shen
Abstract: In this manuscript, we propose and analyze hierarchical Kolmogorov--Arnold neural network architectures employing radial basis functions as activation functions for approximating deterministic functions and random field models. Specifically, we develop a hierarchical radial-basis-function Kolmogorov--Arnold network (hierarchical RBF-KAN) for multidimensional deterministic function approximation and a hierarchical radial-basis-function stochastic Kolmogorov--Arnold network (hierarchical RBF-SKAN) for random field learning. From a theoretical perspective, we establish universal approximation results for both architectures. In particular, we derive quantitative approximation estimates for the hierarchical RBF-KAN, showing that the proposed framework has the potential to partially alleviate the curse of dimensionality in learning high-dimensional functions by reducing the effective dimensionality of the approximation problem. Furthermore, we show that the hierarchical RBF-SKAN can approximate random field models under the Wasserstein-2 metric. Empirically, we show that our proposed radial-basis-function-based neural network structure could effectively learn multivariate functions and random field models.
Authors: Charlotte Genevier Wyman, Leanne Hirshfield
Abstract: Interpretable brain-computer interface classifiers that generalize across subjects without calibration remain an open challenge. We test whether prototype-based cross-attention can provide competitive, interpretable event-related potential (ERP) classification under deployment-compatible conditions. We propose ERP-XTTN, a cross-attention architecture that routes input EEG patches to fixed difference-wave prototypes via query-key-only cross-attention with no value projection, so classification depends entirely on attention routing and attention faithfulness is structural rather than post-hoc. Prototypes are derived automatically from extrema in the training-fold difference wave. We evaluate across three public sources (BNCI Horizon 2020, HRI Cursor, and ERP CORE) spanning eight ERP components (ERN, LRP, ErrP, N170, P300, N2pc, MMN, N400), using leave-one-subject-out (LOSO) evaluation with causal filtering at two channel counts (3-channel and full montage), against EEGNet and xDAWN with Riemannian geometry (xDAWN+RG). The mean gap between the best baseline and ERP-XTTN was .018 AUROC at 3 channels and .034 at full montage, arising from two largely distinct sources: a temporal-flexibility cost relative to EEGNet and a spatial-exploitation cost relative to xDAWN+RG, the latter driven by signal-to-noise ratio at full montage. Beyond accuracy, the transparent routing reveals cross-subject signal structure that black-box models cannot: false positives resembled true positives more than true negatives did, indicating that classification errors are neurophysiologically explicable. ERP-XTTN generalizes across diverse ERPs under causal, calibration-free conditions with a small interpretability cost at minimal montages. To our knowledge, this is the first epoch-level LOSO benchmark on ERP CORE.
Authors: Yiran Qiao, Jing Chen, Jiaqi Xu, Yang Liu, Qiwei Zhong, Xiang Ao
Abstract: Live streaming has emerged as a primary medium for social interaction and digital commerce, yet it is increasingly plagued by sophisticated risks. A fundamental challenge in this domain is \emph{tactical out-of-distribution (OOD) shift}: while malicious actors maintain stable underlying objectives, they continuously redesign narrative packaging to evade detection. Such adversarial shifts expose critical limitations of existing OOD generalization paradigms, whose assumptions are difficult to satisfy in the presence of tightly coupled intent-tactic evolution and ill-defined raw-level counterfactuals. In this paper, we tackle this issue from a \emph{latent causal} perspective and propose \underline{L}atent-\underline{P}redictive \underline{C}ounterfactual \underline{D}ecoupling~(LPCD), a plug-in framework for robust live streaming risk assessment. LPCD enables counterfactual reasoning under adversarial tactical re-packaging by modeling intent and narrative variation at the latent level, and enforces \emph{latent counterfactual consistency} to anchor risk prediction on causally stable malicious intent. At inference time, LPCD applies a lightweight, parameter-free calibration to further mitigate tactic-induced distribution shifts. Extensive experiments on large-scale industrial datasets and online production traffic demonstrate that LPCD consistently outperforms state-of-the-art baselines, validating its effectiveness in moderating evolving adversarial risks in real-world live streaming. The project page is available at https://qiaoyran.github.io/LiveStreamingRiskAssessment/.
URLs: https://qiaoyran.github.io/LiveStreamingRiskAssessment/.
Authors: Ivan Saboli\'c, Marin Or\v{s}i\'c, Josip \v{S}ari\'c, Sven Lon\v{c}ari\'c
Abstract: Supervised fine-tuning is the predominant approach for adapting autoregressive vision-language models to downstream tasks. Recent work has shown that this paradigm is highly vulnerable to backdoor attacks, and that existing defenses are ineffective in open-ended generation settings. In response, we propose BYORn, a backdoor-robust fine-tuning framework motivated by the observation that poisoned target responses are often semantically implausible given the corresponding image-text inputs and a pretrained model. BYORn identifies such misaligned responses and dynamically replaces them with alternative responses generated by the model, thereby breaking the correlation between triggers and target outputs. The resulting objective gradient corresponds to the gradient of the empirical estimate of the population risk upper bound over the clean data distribution. Empirically, BYORn consistently improves robustness to backdoor attacks while preserving clean-task performance, establishing a new trade-off frontier between generalization and attack success rate. Finally, we demonstrate that BYORn remains effective against adaptive attacks specifically designed to circumvent the proposed defense.
Authors: Moses Charikar, Chirag Pabbaraju, Ambuj Tewari
Abstract: Curvature adaptivity is a classical theme in online optimization: for convex Lipschitz losses, adaptive methods interpolate between the optimal $O(\sqrt{T})$ regret for general convex losses and $O(\log T)$ regret under strong convexity. Recent work has shown that Follow-the-Perturbed-Leader (FTPL) achieves optimal $O(\sqrt{T})$ regret even for online non-convex Lipschitz losses, assuming access to an approximate offline-optimization oracle, but these guarantees do not exploit curvature. We show that FTPL can be made curvature-adaptive in the non-convex setting, without knowing in advance how curvature will accumulate over time. Our algorithm replaces the fixed perturbation scale of standard FTPL with a time-varying scale chosen using only past information. We give a simple follow-the-leader tuning rule for this scale and show that it competes, up to constants, with the best choice in hindsight. The resulting method achieves $O(\sqrt{T})$ regret for arbitrary non-convex Lipschitz losses and improves as cumulative curvature grows; with sufficiently accurate oracle calls, it achieves $O(\log T)$ regret when cumulative curvature grows linearly, which includes the classical strongly convex regime. We complement these upper bounds with matching lower bounds for prescribed cumulative-curvature sequences, already for one-dimensional convex losses, showing that the tradeoff between worst-case non-convex regret and curvature-driven fast rates is intrinsic.
Authors: Ryle Goehausen, Marcus Sousa
Abstract: Published evaluations of prompt-injection and jailbreak detectors for Large Language Models often suffer from two systematic weaknesses: per-dataset threshold tuning and undisclosed operating points. We describe an evaluation harness that addresses both. The detector under evaluation is scored across 16 public benchmarks (12,111 samples) using 5-fold cross-validation. StratifiedKFold (by row) is the headline pass; a parallel StratifiedGroupKFold pass over a composite key (parent-prompt id plus MinHash + LSH near-duplicate clusters at Jaccard $\gtrsim 0.8$) runs alongside it as a leakage-premium diagnostic. A single global operating point is selected on the held-out folds (max F1 subject to FPR $\leq 1\%$) and applied uniformly to every dataset, so per-dataset results reflect one threshold rather than per-benchmark optimisation. Generalisation is examined through a battery of diagnostics (leave-one-dataset-out cross-validation, a random-label control, adversarial validation, permutation feature importance, length-bias correlation, classifier-head agreement, cross-source near-duplicate detection, threshold transferability, train-vs-OOF agreement, and a paraphrase-invariance probe), most with a quantitative pass threshold and the remainder with a stated failure mode. For every external comparison, the detector's threshold is re-tuned to the competitor's published false-positive rate so head-to-head values are evaluated at matched operating points.
Authors: Taras Sereda, Burak Bartan, Ankita Nayak, Tom St. John, Natalie Serrino, Zain Asgar
Abstract: Production inference increasingly targets a heterogeneous mix of accelerators. Agentic pipelines interleave reasoning, tool calls, and multi-agent coordination, each with distinct compute and memory profiles. For optimal efficiency, each stage should run on the accelerator best suited to it. This creates a systems challenge: each pipeline now requires high-performance kernels across a growing set of hardware backends and programming models. Writing these kernels by hand is time-consuming, demands deep low-level expertise, and does not scale as kernel complexity grows. Recently, Large Language Models (LLMs) have been leveraged for automatic kernel generation, but challenges in low-level code generation and cross-backend generalization persist. We present KForge, a cross-platform framework built around an iterative refinement loop driven by two collaborating LLM-based agents: a generation agent that produces and progressively refines kernels using compilation and correctness feedback, and a performance-analysis agent that interprets profiling data, from programmatic APIs to GUI-based tools, and emits recommendations that steer the next round of synthesis. The loop alternates between functional passes, which drive a candidate to correctness, and optimization passes, which close the performance gap to hand-tuned baselines. We evaluate KForge on two backends with very different baseline reference availability. On NVIDIA B200, KForge achieves a 2.12$\%$ improvement in end-to-end throughput compared to TensorRT-LLM on the gpt-oss-20b inference speed benchmark. On Intel Arc B580, KForge generates Triton kernels achieving a 5.13$\times$ geometric mean speedup over the faster of PyTorch eager and torch.compile on 37 GEMM + tail-ops workloads from KernelBench Level 2, primarily via operator fusion and mixed-precision execution.
Authors: Jianliang He, Leda Wang, Fengzhuo Zhang, Siyu Chen, Zhuoran Yang
Abstract: Understanding how structured internal structure emerges during neural network training is central to the study of deep learning. We investigate this phenomenon through the group composition task, where a two-layer neural network is trained to predict $g_1 \star g_2$ for elements of a finite group $G$. By lifting the projected gradient flow to the Fourier domain, we demonstrate that the training dynamics are governed by a Riemannian gradient ascent on a representation-theoretic energy functional. We prove that, under random initialization, this flow drives each neuron to converge almost surely toward a single irreducible representation, while the cross-layer Fourier coefficients achieve a rotational rank-one alignment. This framework provides a representation-theoretic account of feature learning and characterizes a novel low-rank compression phenomenon for matrix-valued group representations. Moreover, for Abelian groups, we provide a complete population-level description: random initialization promotes uniform diversification across nontrivial representations and induces Haar-uniform phases, jointly approximating the indicator via a majority-vote mechanism. We further prove that both phase alignment and representation competition emerge with exponential convergence rates.
Authors: Nikhil Vincent
Abstract: Automated cough analysis offers a path to low-cost respiratory screening, but most existing work stops at binary COVID-19 detection. A practical tool needs to tell apart several respiratory conditions from one cough recording on a consumer smartphone. We present CoughSense, a system that sorts cough recordings into five classes. These are healthy, COVID-19, asthma or respiratory condition, bronchitis, and pneumonia. We aggregated 18,301 recordings from four public datasets (Coswara, CoughVID, Virufy, and the West China Hospital Pediatric Cough Dataset) and used the OpenAI Whisper encoder as a pretrained backbone for cough disease classification. The main contribution is active-frame QKV attention pooling, which restricts attention to the first 200 of 1500 encoder tokens. This avoids the silence-dilution problem that arises because a 3-second cough fills only 150 tokens of Whisper's 30-second input window. Other training parts handle the 19 to 1 class imbalance and the four-dataset domain shift. These include WeightedRandomSampler, SpecAugment, Balanced Mixup with forced minority pairing, a supervised contrastive auxiliary loss, FiLM symptom conditioning, and gradient-reversal domain adaptation. A dual-encoder model fuses Whisper with the OPERA-CT respiratory foundation model through cross-attention. CoughSense (Whisper-tiny, 8.6M parameters) reached 82.3 percent balanced accuracy on five-fold cross-validation (macro-F1 of 0.817, AUC of 0.941). It beat an ImageNet-pretrained EfficientNet-B2 by 11.1 points and a ViT trained from scratch by 29.6 points. All five classes passed 74 percent recall and four of five passed 80 percent. The dual-encoder model reached 85.4 percent balanced accuracy. Active-frame pooling is the largest single contributor across all ablation components at 5.1 points, which should help any short-audio task using Whisper as a backbone.
Authors: Evan Duan
Abstract: Quantization is a standard path to deploying large language models, and a quantized model is typically judged acceptable when its perplexity or downstream accuracy stays close to the full-precision original. Whether the model still computes in the same way, or whether the interpretable features identified in the full-precision model survive weight rounding, is rarely tested, even as safety audits and steering interventions increasingly rely on those features. We ask whether sparse autoencoder (SAE) features extracted from a dense full-precision model remain faithful once that model is quantized. Using a frozen SAE as a fixed measurement basis, we encode full-precision and round-to-nearest (RTN) quantized activations on identical tokens and quantify per-feature survival by Pearson correlation, sweeping bit-widths from INT8 to INT4 on Pythia-70M and Gemma-2-2B. We find that feature survival is graded: features degrade systematically rather than failing all at once, with 62.4 percent of active features surviving at INT6 on Pythia-70M and 51.3 percent surviving at INT6 on Gemma-2-2B, and with most non-survivors blurred rather than destroyed. Survival is predictable from full-precision statistics alone, with cross-validated AUCs of 0.92 to 0.97 and peak activation as the strongest marginal predictor. Critically, task metrics can miss this damage: on Gemma-2-2B, INT7 improves perplexity while degrading 18.7 percent of features. Finally, quantization and matched-perplexity magnitude pruning damage strongly overlapping feature sets, with Jaccard overlap of 0.79 to 0.86 and damage-score Spearman correlation of 0.98, suggesting a shared mode of compression-induced vulnerability. These results show that behavioral parity is insufficient evidence that interpretability findings transfer to quantized deployments, motivating feature-level audits of compression.
Authors: Hongbo Wang (Stony Brook University)
Abstract: A latent world model built from an equivariant encoder $E$ and an equivariant predictor $f$ inherits a provable symmetry of its training loss: when the world's dynamics genuinely carries a group $G$ acting on latents by an orthogonal representation $\rho(g)$, the one-step prediction relMSE is exactly invariant across the whole group, so fitting the dynamics on a restricted slice of orientations mathematically determines it on the entire orbit (j\v{u} y\=i f\v{a}n s\=an). We verify this end-to-end at laptop scale (CPU/MPS, fully seeded). [A] The symmetry survives a real Muon/AdamW + EMA + VICReg run -- composed encode-then-predict residual $\sim 10^{-6}$ after optimisation, not just at initialisation, and under any optimiser. [B] One-step error is flat to five digits across the group, while a same-hypothesis-class non-equivariant baseline fits the slice but breaks out-of-distribution (VN $\times 1.00$ vs baseline $\times 13.8$ in 2D, $\times 17.2$ in 3D, $\times 157$ over the full $\mathrm{SE}(3)$ ladder), with the equivariant model $4.5$-$7.4\times$ smaller. [C] The same isometry argument lifts to closed loop: under a matching equivariant planner the control trajectory at orientation $g$ is exactly $\rho(g)$ applied to the seen one, so closed-loop error is invariant across the group -- float-floor-exact in 2D/$\mathrm{SO}(2)$ on real PushT and statistically flat in 3D/$\mathrm{SE}(3)$ (disjoint 95% CIs). We stress-test the prior against Sutton's Bitter Lesson: augmentation, brute-force scale, and soft-equivariance each close at most the across-group task metric, never the float-floor exactness. Because equivariance is closed under composition, the $H$-fold rollout stays flat ($\times 1.00$, $\le 2\times 10^{-7}$) at every horizon, while the baseline's residual compounds with $H$. Out of scope: task-success sweeps, planner-free invariance, and scaling.
Authors: Saptarshi Mitra, Yifan Zhang, Rachid Karami, Phyo Pyae Moe Aung, Nazmul Takbir, Sreetama Sarkar, Souvik Kundu, Sitao Huang
Abstract: Mixture-of-Agents (MoA) systems improve reasoning accuracy by routing each query to multiple expert LLMs and aggregating their outputs. Efficiently executing this workload on limited GPU resources has bottlenecks. Skill-based routing creates skewed expert demand, and combining instruction-tuned LLMs with long-reasoning models results in extreme variability in generation lengths. Consequently, traditional scheduling strategies suffer from significant GPU idling and throughput collapse due to load imbalances. We present MOSAIC, a scheduling framework to accelerate MoA workloads. First, we formulate an Integer Linear Program (ILP) based scheduler that jointly optimizes expert placement and per-worker prompt assignment from offline-profiled costs, replicating reasoning experts across workers while pinning lightweight ones. Second, MOSAIC uses confidence-aware adaptive aggregation, leveraging inter-expert agreement to bypass the heavy final aggregator LLM for consensus queries. In our 4-GPU system, MOSAIC achieves up to 2.5x expert-stage, 4.23x aggregator-stage and 1.7~2.3x end-to-end speedups over the baseline scheduler, while matching accuracy within 0.1pp.
Authors: Yikang Gui, Bikramjit Banerjee, Prashant Doshi
Abstract: Reward transfer in Inverse Reinforcement Learning (IRL) is unreliable when policies must generalize to unseen combinations of environment dynamics and task goals. We propose Factorized Contrastive Abstractions for Transferable IRL (ConTraIRL), a framework that enables compositional reward transfer by learning decoupled latent representations of these two factors. ConTraIRL uses a dual-encoder architecture that maps observations into separate dynamics and goal latent spaces, trained with a dual contrastive objective. Temporal alignment encourages the dynamics encoder to learn goal-invariant structure, while the goal encoder captures dynamics-invariant features. This factorization supports reward inference under recombined dynamics-goal settings. Experiments on continuous control benchmarks demonstrate effective few-shot transfer to unseen dynamics-goal pairings, improving sample efficiency and reward recovery over transfer IRL baselines.
Authors: Yitian Zhang, Yonghong chen, Youming Chen, Yiyang Li, Xing Zhe, Renhe Lu, Shaolin Liao, Yuzhe Ma, Zhong Guan
Abstract: Neural field surrogates can accelerate photonic design loops, but a surrogate that looks accurate in global field error can still mis-rank candidate devices when the final decision depends on localized output-port readouts. This risk is acute in propagation-dominated MMI splitters and couplers, where port power, splitting, phase, and coupling are determined by accumulated modal interference and output-window aggregation rather than by average field similarity alone. We study this field-to-design mismatch through a Field/Mediator/Readout view that separates dense complex-field error from propagation-profile and output-window errors before port aggregation. To align the surrogate with this chain, we propose PaNO, a propagation-aligned neural operator that keeps the full-field prediction interface while organizing latent states around local boundary structure, transverse modal content, axial propagation, and cross-mode interaction. We also evaluate PaNO-R2, an output-aware feedback variant for residual field components near the port region. On a 15-wavelength tunable $3{\times}3$ MMI benchmark with 4608 held-out fields, PaNO lowers NeurOLight's port-power error from 0.2018 to 0.0739 despite slightly higher cMAE, showing that global field accuracy alone is not sufficient for design-relevant readout fidelity. PaNO-R2 attains the best cMAE, propagation-profile error, output-profile error, and port-power error, reducing NeurOLight's port-power and output-profile errors by 72.7\% and 72.5\%.
Authors: Seungu Kang, Songkuk Kim
Abstract: Knowledge Distillation (KD) is a powerful tool for model compression, yet the precise mechanisms by which student models acquire feature representations remain underexplored. In this work, we analyze student feature learning using the Interaction Tensor framework. Our analysis reveals that effective KD acts as a regularizer that prunes low-frequency, sample-specific features, encouraging the student to rely on a compact set of highly reusable features. Crucially, we observe that the dataset-level confusion matrix contains structural information analogous to the teacher's "Dark Knowledge." Leveraging this insight, we propose Confusion Distillation (CD), a teacher-free self-distillation method that utilizes the model's own evolving confusion patterns as dynamic soft targets. CD achieves competitive performance on ResNet-34 and ResNet-50 for CIFAR-100, outperforming existing self-distillation methods like CS-KD and PS-KD by 1.2% while offering a computationally efficient alternative to standard KD.
Authors: Arun Raja, Garrett M. Morris, Kian Ming A. Chai
Abstract: Large language models (LLMs) are increasingly used for molecular tasks, but it remains unclear which molecular representation to use. We present a systematic benchmark evaluating LLM molecular competence across nine representations and eight chemical tasks. We benchmark 16 LLMs across five model families, including reasoning and non-reasoning variants, chemistry-specialized LLMs, and closed frontier models. Performance is strongly representation-dependent and no single representation wins across tasks, though CML is the best, followed by MolJSON, InChI, and then canonical SMILES. Explicit structured text representations (CML and MolJSON) dominate structural tasks; IUPAC dominates semantic tasks, winning molecule retrieval for all 16 LLMs; and SMILES variants are rarely optimal despite their prevalence in pretraining. Chemistry-specialized models perform well with SMILES at the cost of large degradations with structured text representations, suggesting SMILES-only evaluation rewards specialization that does not generalize. Using LLM-as-a-judge, we find that IUPAC produces the highest fraction of correct molecule generations. A mechanistic study via tokenization audits, linear probes and attention shows that representations are encoded differently inside the model; for example, structured representations require higher attention across the molecular span. Our results argue against representation-invariant evaluation and motivate task-aware representation routing for LLM-based chemistry.
Authors: Jaejun Lee, Joyce Jiyoung Whang
Abstract: While Virtual Nodes (VNs) are often utilized in Message Passing Neural Networks (MPNNs) to facilitate effective message passing, existing VN-based methods have limitations, such as constraining all nodes to connect to the same number of VNs, fixing the connections before applying MPNNs, and connecting a node to a VN independently of the other nodes that connect to the same VN. We propose MAVN, an end-to-end differentiable MPNN framework that allows non-constrained connections between nodes and VNs and dynamically introduces VNs on demand in response to evolving node representations across layers. Specifically, MAVN learns to adaptively determine when (at which layer) and where (to which nodes) to introduce and connect VNs based on the relative importance of connections. From a pool of candidate VNs, MAVN selects the necessary VNs in each layer, where each selected VN is connected to a nonempty subset of nodes, guided by a dual-perspective scoring mechanism that jointly captures the nodes' preferences for VNs and the VNs' preferences for nodes. We theoretically prove that for any node-VN connectivity pattern, there exists a set of MAVN's parameters that can simulate the pattern. Experiments on nine real-world datasets demonstrate that MAVN consistently improves the performance of backbone MPNNs, achieving up to 46.5% improvement over the backbones and outperforms the baselines.
Authors: Zehua Liu, Yuxuan Yao, Xiaojin Fu, Tao Zhong, Mingxuan Yuan
Abstract: Asynchronous reinforcement learning can improve language-model post-training throughput by decoupling response generation from policy optimization, but stale responses introduce distribution drift. Standard behavior-corrected methods control this drift with behavior-policy probabilities, importance ratios, or clipping, which requires token-aligned, versioned, and numerically consistent behavior log-probabilities across rollout and learner systems. We ask whether asynchronous group-relative RL can instead be stabilized using only current-policy probabilities. We identify a scale-imbalance failure mode: when stale responses are evaluated under the current policy, positive and negative loss terms can appear at different negative log-probability scales, so zero-sum advantages no longer imply balanced loss contributions. We propose Asymmetric-Scale Policy Optimization (ASymPO), which normalizes each response's token loss by its current average token negative log-probability. ASymPO requires no behavior-policy probabilities, restores response-level zero-sum balance, and preserves a nonzero learning signal. We also introduce Scaled Policy Optimization (SPO), a fixed negative-scaling baseline, and evaluate both current-policy-only objectives in asynchronous mathematical reasoning post-training.
Authors: Minping Chen, Bowen Xiao, Du Liang, Chuxuan Zeng, Zeyi Wen
Abstract: Reinforcement learning (RL) for large language models (LLMs) is highly sensitive to hyperparameter configurations, making hyperparameter optimization (HPO) essential yet computationally expensive. Existing multi-fidelity HPO methods remain inefficient for LLM RL due to the massive model scale and resource-intensive training cycles. In this paper, we propose Joint Fidelity Hyperparameter Optimization (JF-HPO), which simultaneously adapts both model size and training budget as fidelity. JF-HPO is empowered by: (i) it leverages a small proxy model of the target LLM for efficient training and evaluation in each HPO trial; (ii) it integrates carefully designed early-stopping strategies based on training dynamics; (iii) it introduces an efficient checkpointing mechanism to eliminate redundant computations. Compared with existing HPO methods, JF-HPO significantly improves the computational efficiency of each trial (up to 14.9 times), while achieving better or competitive predictive accuracy under the same time budget. Notably, compared with utilizing hyperparameter configurations from the VeRL Recipe, JF-HPO delivers performance improvements ranging from 5.8% to 111.6%.
Authors: Zixuan Guo, Xiucheng Wang, Nan Cheng
Abstract: Diffusion models achieve high-fidelity radio map construction through iterative denoising, yet their sampling cost limits practicality in dynamic wireless systems where radio maps must be refreshed repeatedly. Meanwhile, classical propagation models encode valuable scene-level knowledge that standard diffusion inference discards entirely by initializing from pure Gaussian noise. This paper bridges propagation priors and diffusion refinement through a mid-start sampling strategy. A matched propagation prior is perturbed to an intermediate diffusion timestep, and the pretrained diffusion backbone executes only the remaining reverse steps, focusing computation on multipath-aware refinement rather than full reconstruction from noise. We provide theoretical analysis establishing an upper bound on the initialization gap, a sufficient condition under which truncation improves reconstruction fidelity, and a formal characterization of prior-quality sensitivity under aggressive truncation. Experiments on IRT4HighRes show that, at $P_{\text{start}}=0.5$, the proposed method achieves a $2.01\times$ speedup while simultaneously improving NMSE, RMSE, SSIM, and PSNR over the full-step baseline. A prior-quality ablation across three propagation models of different fidelity confirms that reconstruction quality tracks prior quality, with the sensitivity amplified under shorter reverse trajectories, consistent with the theoretical predictions. These results also suggest that mid-start reconstruction quality can serve as a proxy for ranking the scene-level fidelity of different propagation models.
Authors: Kaiwen Chen, Xin Tan, Jingzong Li, Hong Xu
Abstract: Reinforcement learning (RL) has become a standard post-training paradigm for large language models (LLMs), extending beyond preference alignment to complex reasoning and multi-turn agentic behaviors. In agentic RL, the rollout stage generates trajectories while invoking tools, producing long-tailed and non-stationary workloads that challenge conventional resource-management assumptions. Three fundamental challenges arise. First, due to the long-tail distribution, a small fraction of trajectories dominates rollout makespan. Second, rollout and training exhibit strong asymmetry in compute patterns, memory demands, and sensitivity to sequence length. Third, as the RL policy evolves, the trajectory-length distribution drifts over time, rendering any static resource split progressively suboptimal. We present Libra, which introduces two core mechanisms. The first is a periodic global resource planner that jointly optimizes GPU allocation across rollout and training clusters. It leverages an elastic hybrid pool to enable lightweight, non-blocking worker reallocation between stages. The second is a causality-driven multi-level feedback queue (C-MLFQ) scheduler, which routes requests to heterogeneous rollout buckets based on causal signals derived from tool-return outcomes, rather than relying on fragile length predictions. Evaluated on 48 A800 GPUs, Libra achieves up to 3.0$\times$ higher throughput and converges up to 2.5$\times$ faster in reward compared to the baselines.
Authors: Zirui Yan, Dennis Wei, Dmitriy A. Katz, Prasanna Sattigeri, Ali Tajer
Abstract: Causal tracing systematically intervenes on a large language model's (LLM's) internal representations to uncover and quantify the causal pathways linking specific inputs or computations to specific metrics of interest, quantifying the LLM's behavior. Building on previous single-component or single-layer studies, this paper presents a unified framework for causally tracing multiple components simultaneously. This framework systematically identifies the subsets of components (e.g., attention heads and multi-layer perceptron neurons) most critical to a desired target performance metric (e.g., accuracy and fairness). This is achieved by incorporating flexible interventions applied to a wide range of desired metrics. To address the combinatorial complexity of the multi-component problem, an efficient algorithm is designed that leverages soft interventions and a carefully designed metric transformation, converting the combinatorial search problem into a continuous one that can be solved efficiently under proper constraints, thereby generating proper binary decisions for selecting components. Experimental results demonstrate that the proposed method efficiently identifies subsets of the model's components that have a high impact on the target metric, outperforming existing baseline approaches. Our code is available at https://github.com/ZiruiYan/multi-component-causal-tracing.
URLs: https://github.com/ZiruiYan/multi-component-causal-tracing.
Authors: Chuanyu Qin, Chenxu Yang, Qingyi Si, Naibin Gu, Peng Fu, Zheng Lin
Abstract: Reinforcement learning with verifiable rewards (RLVR) improves the ability of large language model, yet headline accuracy gains often conceal a hidden cost: previously solved problems quietly become unsolvable as training proceeds. We frame this phenomenon as \emph{correct-set turnover}, representing the coupled dynamics of solution acquisition and regression over the mastered set. Under this view, retention becomes an explicit optimization target alongside acquisition. We analytically and empirically establish the \emph{repair-window principle}: the cost of restoring a regressed prompt grows sharply with review delay, defining a low-cost window that standard RLVR pipelines fail to exploit. To address this, we propose \textbf{\method{}}, a retention-aware review mechanism that tracks mastered prompts and periodically reintroduces them to \textbf{remind} the model of previous solutions. By utilizing pre-rollout batch replacement, \method{} incurs zero additional rollout overhead. Evaluated across 20 benchmarks spanning image-text, video, and text-only tasks with Qwen3-VL and Qwen2.5-Math, \method{} consistently improves performance over GRPO, DAPO, and replay baselines, demonstrating robust generalizability across modalities and algorithms.
Authors: Ming Wen, Yuxuan Liu, Kun Yang, Yunhao Feng, Zhuoer Xu, Yuhao Sun, Shiwen Cui, Xiang Zheng, Xingjun Ma, Yu-Gang Jiang
Abstract: On-policy self-distillation (OPSD) has emerged as an efficient post-training paradigm by using a teacher conditioned on privileged information to provide dense token-level supervision. Prior work has shown that OPSD can collapse in verifiable reasoning tasks, but safety alignment differs in that it is guided by high-level constitutions rather than explicit target answers, making it a natural setting to revisit dense distillation. However, our pilot study show that safety OPSD still suffers from severe collapse: constitutional conditioning contracts the teacher distribution toward short and overly conservative responses, and Reverse KL further amplifies this contraction into reduced expressiveness. We formalize this effect as geometric leakage under safety boundaries in a non-orthogonal semantic space, where safety pressure transfers into the expressiveness dimension. Based on this analysis, we propose Constitutional On-Policy Safe Distillation (COPSD), which first calibrates the teacher through a Cross-SFT cold-start and then performs constitution-conditioned on-policy distillation. Experiments on 12 benchmarks show that COPSD achieves a consistently stronger safety--helpfulness trade-off than baselines while substantially reducing the safety tax on general reasoning ability.
Authors: Pengyu Chen, Shaowei Li, Kai Wang, Yunsheng Yuan, Kai Han, Jun Luo, Feng Li
Abstract: Recent advances in language models have established reinforcement learning as the primary paradigm for eliciting self-correction and long-chain reasoning. While group relative policy optimization (GRPO) offers superior scalability by eliminating the critic network, deploying it on a central infrastructure entails collecting a large volume of data from distributed owners, which poses significant privacy risks. To address these concerns, we introduce federated GRPO (FGRPO), a framework designed to decentralize the fine-tuning of reasoning models across heterogeneous data owners. To effectively mitigate the instability caused by divergent reward scales across heterogeneous tasks, FGRPO incorporates an adaptive aggregation mechanism based on relative performance gain. By characterizing each client's improvement relative to its personalized historical baseline, the framework dynamically prioritizes effective learning trajectories regardless of local task difficulty. FGRPO ensures robust convergence on non-IID data while preserving data privacy.
Authors: Jacob Lavoie, Marwan Besrour, William Lemaire, Jean Rouat, R\'ejean Fontaine, Eric Plourde
Abstract: Objective: Diseases such as age-related macular degeneration and retinitis pigmentosa cause the degradation of the photoreceptor layer. One approach to restore vision is to electrically stimulate the surviving retinal ganglion cells with a microelectrode array such as epiretinal implants. Epiretinal implants are known to generate visible anisotropic shapes elongated along the axon fascicles of neighboring retinal ganglion cells. Recent work has demonstrated that to obtain isotropic pixel-like shapes, it is possible to map axon fascicles and avoid stimulating them by inactivating electrodes or lowering stimulation current levels. Avoiding axon fascicle stimulation aims to remove brushstroke-like shapes in favor of a more reduced set of pixel-like shapes. Approach: In this study, we propose the use of isotropic and anisotropic shapes to render intelligible images on the retina of a virtual patient in a reinforcement learning environment named rlretina. The environment formalizes the task as using brushstrokes in a stroke-based rendering task. Main Results: We train a deep reinforcement learning agent that learns to assemble isotropic and anisotropic shapes to form an image. We investigate which error-based or perception-based metrics is adequate to reward the agent. The agent is trained in a model-based data generation fashion using the psychophysically validated axon map model to render images as perceived by different virtual patients. We show that the agent can generate more intelligible images compared to the naive method in different virtual patients. Significance: This work shares a new way to address epiretinal stimulation that constitutes a first step towards improving visual acuity in artificially-restored vision using anisotropic phosphenes.
Authors: Zhe Li, Jindong Tian, Hao Miao, Zhi Lei, Chenjuan Guo, Bin Yang
Abstract: Multivariate time series forecasting plays a critical role in real-world applications, including weather prediction, stock analysis, and health monitoring. Due to the diversity of data sources, time series exhibit diverse temporal dynamics, often accompanied by various irregularities such as missing values and non-uniform sampling frequencies. Such irregularities lead to complex and asynchronous temporal dependencies across channels. Thus, a single model with a fixed patching scheme often fails to adapt well to diverse multivariate time series, hindering accurate forecasting. In this paper, we propose TiWeaver, a unified framework designed to handle temporal dynamics and fine-grained inter-channel dependencies adaptively. Specifically, we introduce a Graph-Guided Adaptive Tokenizer (G$^2$AT) that divides time series into high contextually coherent patches by jointly considering temporal density and representation consistency. In addition, we propose a Fine-grained Asynchronous Dependency Extractor (FADE), which is designed to model fine-grained asynchronous inter-channel dependencies while incorporating long-term historical dependencies. We evaluate TiWeaver on 12 real-world time series datasets, where it achieves state-of-the-art performance, outperforming existing methods up to 25%. These results demonstrate its robustness and effectiveness across diverse domains and data characteristics.
Authors: Dhruvi Khandelwal, Anurag Basistha, Ayushi Jolotia, Parikshit Pareek
Abstract: Deep learning proxies for Alternating Current Optimal Power Flow (ACOPF) lack systematic methods for determining architectural size. This paper conducts a constructive thought experiment to answer a fundamental inquiry: how wide must a neural network be to almost accurately approximate the ACOPF manifold? We introduce a Loss-Guided Neural Densification (LG-ND) algorithm that incrementally discovers necessary capacity by expanding only when the current deep neural network topology fails to improve further. Empirical results across various IEEE systems show that LG-ND achieves performance parity with literature baselines using up to ten times fewer neurons per layer. Such architectural minimalism is critical for the formal verification required in safety-critical grid operations.
Authors: Mahdi Erfanian, Nelson Daniel Troncoso, Aashna Garg, Amabel Gale, Xiaoyu Liu, Pareesa Ameneh Golnari, Shengyu Fu
Abstract: Small open-source code models that power IDE autocomplete still emit hallucinated Fill-in-the-Middle (FIM) completions: syntactically natural calls to methods, parameters, variables, and imports that do not exist in the surrounding project. Existing mitigations either require per-language execution sandboxes that do not apply at mid-keystroke or preference-optimisation pipelines that need large human-labelled corpora. We propose an execution-free alternative: use frontier code models to synthesise plausible-but-wrong completions as hard negatives, then leverage the contrast between these synthetic hallucinations and the ground-truth developer edit as a supervised fine-tuning signal. Our pipeline scrapes multilingual FIM contexts from public GitHub across eight languages and asks a panel of three frontier generators to produce one hard negative per context for each of four hallucination types drawn from the Delulu taxonomy, a Docker-verified multilingual FIM hallucination benchmark, yielding a paired chosen/rejected dataset. Fine-tuning Qwen2.5-Coder-7B-Instruct on a 100K-row curated subset lifts Delulu exact match by +18.8 points and edit similarity by +0.22 on every language and every type, while also improving every HumanEval-Infilling split and every SAFIM subset. The same recipe at 3B lifts Delulu by +12.8 EM with a small, characterised general-FIM trade-off. Five-axis ablations (size, type mix, language coverage, base-model family, and a difficulty-aware fool rate) plus a head-to-head SFT vs. DPO/ORPO comparison map which design choices drive the gain. We release the full pipeline source code -- generation, fool-rate LLM judging, curation, and the FIM fine-tuning recipe -- so that the experiments in this paper can be reproduced end-to end on any permissively licensed corpus.
Authors: Shuang Liu, Yuxuan Bo, Qiuyang Zhao, Caiyue Huang, Xiaorong Chen, Yanguang Liu, Mengnan Du
Abstract: Reward models are central to large language model (LLM) alignment, but they remain vulnerable to reward hacking. To evaluate reward-model robustness, we introduce RewardHackBench containing 13 reward-hacking patterns covering real life high-stakes domains and general settings, and we find severe failures on specific subcategories across eight reward models. To mitigate these failures, we propose HARVE, a training-free reward-head editing method for scalar reward models. Instead of fine-tuning the reward model, HARVE identifies a multi-directional hacking subspace from residual stream directions associated with selected hacking subcategories, and removes the component of the reward-head vector aligned with that subspace. This directly reduces the reward head's sensitivity to hacking-related features using only a small set of contrastive gold-hacked examples, without gradient updates or fine-tuning. Comprehensive experiments across eight reward models indicates that \model improves hacking robustness, outperforms fine-tuning baselines, and preserves reward-models' general capability. Further analyses suggest that reward hacking is better captured as a multidimensional residual-space structure than by isolated surface cues.
Authors: Jingbo Yang, Guanyu Yao, Yang Zhang, Ramana Rao Kompella, Gaowen Liu, Shiyu Chang
Abstract: Modern LLM agents increasingly rely on skill libraries to handle complex tasks, making skill evolution a primary driver of self-improvement. However, isolated single-user task streams lack the diversity required to build comprehensive skills. While cross-user collaboration can overcome this data bottleneck, current trajectory-sharing approaches compromise user privacy and impose a uniform global library that fails to accommodate client heterogeneity. We introduce FederatedSkill, a privacy-preserving framework for collaborative agent evolution. Moving beyond raw trajectory sharing, FederatedSkill utilizes semantic skill diffs, structured patches over local libraries, as the fundamental unit of communication. On the server side, an evolution agent aggregates these patches to dynamically model client-specific capability boundaries, facilitating strictly personalized skill evolution rather than a suboptimal global average. Evaluated across 20 distinct agent task families, FederatedSkill demonstrates substantial gains over self-evolving baselines, achieving up to a 44.4% increase in success rate and a 37.5% reduction in computational cost.
Authors: Alston Lo, Luka Mucko, Austin H. Cheng, Andy Cai, Alastair J. A. Price, Wojciech Matusik, Al\'an Aspuru-Guzik
Abstract: Organic crystal structure prediction (CSP) is a requirement for computational modelling of organic solids, but traditionally costs several CPU-years per molecule. Generative models such as OXtal dramatically reduce this cost by sampling stable organic crystal structures directly. However, OXtal forgoes explicit lattice parametrization in favour of modelling large crops of the bulk material with expensive triangle layers, which can incur a computational cost of minutes per molecule. In this paper, we reduce this to seconds with Clari, a large-scale flow matching model that generates redundancy-free unit cells and replaces triangle layers with pure pair-bias attention. Clari requires only atom types and bonds as input and does not need an RDKit-sanitizable input molecule, which expands its applicability to challenging chemistries such as fullerenes, metal complexes, and atom clusters. We further ablate key design choices such as auxiliary losses, timestep distributions, noise priors, and self-conditioning. On OXtal's test sets, we surpass OXtal's solve rate while obtaining a speedup of $15$-$30\times$. Because Clari also models explicit hydrogens, it supports inference-time scaling via direct energy ranking, without any decoration or relaxation step. When generating 150 crystals and selecting the top-30 by energy, we further improve solve rate while maintaining a speedup of $5$-$8\times$. We also introduce the CSD Teaching Subset as a new test split of diverse and complex molecules for future benchmarking. Our contributions enable CSP within seconds, making large-scale virtual screening of organic solids practical. Code is available at https://github.com/aspuru-guzik-group/clari.
Authors: Yunsheng Yuan, Shaowei Li, Kai Wang, Zhongyuan Sun, Zheng Zhang, Kai Han, Jun Luo, Feng Li
Abstract: Fine-tuning large language models (LLMs) in privacy-sensitive and resource-constrained environments remains challenging. Since training data are often distributed across multiple clients, decentralized fine-tuning offers a natural paradigm for collaborative adaptation without a central server. However, enabling full-parameter fine-tuning (FPFT) in this decentralized setting is difficult: FPFT provides strong adaptation capacity but incurs prohibitive resource consumption for billion-scale models. Existing decentralized LLM fine-tuning methods therefore mainly rely on parameter-efficient updates, which improve efficiency but may restrict downstream performance. Moreover, client data are typically non-IID, making decentralized optimization more vulnerable to client drift and unstable convergence. To address these challenges, we propose DECA, a resource-efficient decentralized FPFT framework for LLMs on non-IID data. DECA partitions model parameters into disjoint blocks and performs sequential block-wise Adam optimization, reducing resource consumption while preserving decentralized full-parameter adaptation. To stabilize training, DECA further introduces first- and second-order block-wise moment estimates with fresh local gradient statistics and consensus-derived discrepancy signals. We provide rigorous theoretical analysis and extensive experiments, showing that DECA achieves fast convergence, strong downstream performance, and significant resource efficiency.
Authors: Zerui Tao, Qibin Zhao
Abstract: Low-rank tensor decomposition (TD) is usually effective on clean, fully observed data, but it often degrades under severe missingness or noise. Low-rankness is itself a useful but limited structural prior, and additional handcrafted priors (e.g., sparsity or smoothness) still fall short of capturing the rich statistics of real-world data. To compensate for this weak inductive bias under heavy corruption, one would like to inject a learned, data-driven prior; however, the state-of-the-art diffusion models are not readily compatible with current TD and tractable posterior inference. To address these challenges, we introduce DiffBCP, a hybrid-prior Bayesian CP decomposition framework that couples a cumulative shrinkage process prior over the CP factors for automatic rank selection with an off-the-shelf pre-trained diffusion model as an implicit data prior on the reconstructed tensor. To make posterior inference tractable despite the coupling among the likelihood, low-rank constraint, and diffusion prior, we develop a split Gibbs sampler: CP factors admit conjugate updates, while the diffusion block is sampled via low-rank-guided denoising. A noise-adaptive coupling schedule further reduces sensitivity to hand-tuned annealing. Experiments on image inpainting and denoising, including high-resolution out-of-distribution images, show consistent gains over Bayesian, nonlinear, and plug-and-play TD baselines.
Authors: Tong Zhao, Ce Guo, Wayne Luk, Emil Lupu, Ray Dipojjwal
Abstract: Causal discovery with instantaneous effects in multivariate time series is challenging, as the instantaneous structure must be acyclic. Prior methods enforce this by either separating instantaneous and lagged estimation into multi-stage pipelines or imposing algebraic acyclicity constraints via complex augmented Lagrangian optimization, both of which incur high computational cost. In this work, we propose a different approach: we learn a differentiable permutation of variables using the Gumbel--Sinkhorn operator and triangularize the instantaneous coefficient matrix of a Structural Vector Autoregressive (SVAR) model in the learned order. This converts acyclicity from a hard constraint into a parameterization and keeps it valid throughout optimization. In doing so, our method enables unified, continuous optimization with gradient-based learning, leading to improved efficiency in time--series causal discovery. Across three real-world benchmarks, our method achieves the best overall performance compared with 12 baselines in both discovery accuracy and efficiency. On the large-scale benchmark, it further demonstrates strong scalability, achieving more than a 6x speedup over competing methods.
Authors: Parth Verma, Parv P. Singh, Vipul Garg, Ishita Thakre, N. M. Anoop Krishnan, Sayan Ranu
Abstract: Graph Neural Networks (GNNs) have revolutionized Neural Force Fields for atomistic simulations, achieving near-quantum accuracy at reduced cost, yet adapting these models to new chemical systems requires expensive retraining of foundation models. Inspired by model merging in vision and language processing, we introduce GFFMERGE, the first principled framework for closed-form model merging in GNNs. We exploit the linear structure of message-passing layers and formulate merging as a convex embedding-alignment problem with an analytical solution. Through the first systematic benchmarking of model merging for GNNs, we show that existing methods designed for vision and language catastrophically fail on force field regression, while GFFMERGE recovers performance approaching gold standard joint training. Across molecular (MD17, MD22), solid-state (LiPS20), and large-scale graph benchmarks, GFFMERGE and GNNMERGE (its generic GNN counterpart) achieve 5-27$\times$ speedups while enabling modular composition of specialized models. Remarkably, our closed-form solution alone outperforms all baseline methods before fine-tuning and provides superior initialization for faster, data-efficient convergence.
Authors: Ziyue Wang, Aomufei Yuan, Yongfu Zhu, Shuai Dong, Wenpu Liu, Yiran Yao, Weichu Xie, Yuqi Xu, Caoyuan Ma, Wenqi Shao, Xiaoying Zhang, Nan Duan, Jiaqi Wang
Abstract: Reinforcement Learning from Verifiable Rewards (RLVR) has become the dominant approach for improving mathematical reasoning in large language models, yet current methods reduce each correct rollout to a single reward bit, ignoring the geometric structure shared among their hidden states. Investigating this structure, we find that at the anchor token (the position immediately before the answer marker), correct rollouts converge naturally because they must produce the same answer (cosine similarity ~0.84), yet each retains residual variance from its unique reasoning path. Encouraging full alignment at this point pushes the model to extract a unified "correct decision" representation, reducing sensitivity to which reasoning path was taken. Based on this observation, we propose Hidden-Align, an auxiliary loss function that aligns the last-layer hidden states of correct rollouts at the anchor token during RL training, with zero overhead in both training and inference. On eight mathematical reasoning benchmarks, Hidden-Align improves average pass@1 over the DAPO baseline by 3.8, 6.2, and 5.4 percentage points on Qwen3-1.7B, 4B, and 14B respectively, with consistent pass@k gains across all three scales, supported by ablations on loss type, anchor position, layer depth, and loss weight.
Authors: Zelalem Abahana
Abstract: Reinforcement learning from human feedback (RLHF) makes large-scale post-training possible by replacing an underspecified human objective with learned and scalable proxies. The same substitution creates a structured failure surface: optimization can raise the learned reward while external quality falls, degrade both proxy and judge scores, reveal proxy under-alignment, or produce evaluator-specific disagreement. We present an empirical failure-mode study of a compact RLHF pipeline with proximal policy optimization (PPO), direct preference optimization (DPO), uncertainty-penalized PPO (UP-PPO), reward-model uncertainty, approximate policy drift, diversity and repetition diagnostics, and two external LLM judges. Rather than treating reward hacking as a single terminal event, we classify matched transitions between checkpoints using the directions of the learned reward, judge scores, and average judge score. Across 61 checkpoint rows and 1920 row-level transitions, aggressive PPO has the highest localized reward-hacking rate (14.45%; bootstrap 95% CI: 10.16-18.75), while UP-PPO yields lower rates in the same aggressive regime (11.33-10.94%). A pre-transition logistic model predicts future row-level reward hacking with ROC-AUC 0.821, and row-level analysis finds localized reward hacking that checkpoint averages miss in 3 of 12 settings. The central conclusion is methodological: RLHF failures are not only final-model pathologies, but training dynamics that can be classified, localized, and partially anticipated.
Authors: Sungwon Kim, Juho Song, Seungmin Shin, Guimok Cho, Sangkook Kim, Chanyoung Park
Abstract: Deep learning surrogates for 3D Partial Differential Equations (PDEs) often fail to generalize across geometric transformations because they depend heavily on specific coordinate systems. While equivariant networks offer a solution, they typically rely on local operations in the spatial domain, making the global receptive field, which is essential for PDE dynamics, computationally expensive. Conversely, Fourier Neural Operators (FNOs) efficiently capture global interactions, yet establishing 3D equivariance within them remains impractical due to the prohibitive cost of spectral group convolutions. To bridge this gap, we introduce EqGINO, a geometrically robust framework that enforces isotropy in the spectral domain. By design, EqGINO guarantees exact equivariance to the discrete symmetries inherent to the discretized computational domain. Beyond this discrete guarantee, our structural prior enables effective generalization to arbitrary continuous orientations even with a limited number of SE(3)-transformed training samples. Consequently, our method robustly models coordinate-invariant physical laws on complex irregular 3D geometries. Our code is available at https://github.com/sung-won-kim/EqGINO
Authors: Keke Wu, Yixuan Zhang, Jingrun Chen
Abstract: Neural operators learn mappings between infinite-dimensional function spaces and provide a data-driven surrogate modeling paradigm for parametric partial differential equations (PDEs). Existing architectures typically obtain expressivity by parameterizing integral kernels in prescribed transform domains or by applying attention-like interactions over discretized spatial points. While these approaches have achieved substantial progress, they often face a persistent trade-off among physical interpretability, nonlocal spatial communication, mesh scalability, and computational cost. We propose a Light-inspired neural operator(LiNO), an operator-learning architecture whose latent evolution is decomposed into three mechanisms motivated by elementary light transport: reflection, refraction, and scattering. Reflection and refraction act as adaptive pointwise transformations in latent feature space, enabling local feature reorientation and anisotropic modulation, whereas scattering performs input-dependent nonlocal propagation over the physical domain. We first formulate scattering as a normalized pairwise kernel with relative positional bias, and then develop an efficient scattering variant that replaces explicit pairwise interactions with positive-feature global propagation and a local diffusion branch, reducing the dominant spatial complexity from quadratic to linear. This yields a structured neural operator that separates local feature modulation from global spatial communication while retaining a modular and interpretable latent evolution.
Authors: Li Sun, Zhenhao Huang, Yiding Wang, Qin Chen, Pietro Lio, Philip S. Yu
Abstract: Foundation models have sparked a revolution via a pretraining-adaptation paradigm, with recent efforts extending this success to graphs. Unlike other modalities, graphs contain rich structural patterns, yet their structural transferability remains poorly understood. Prior studies consider common substructures in the discrete realm, and we are motivated by a fundamental question: Are common substructures transferable? The underlying theory is largely underexplored. In this work, we shift toward learning transferable structures through the lens of functional behavior. Theoretically, we connect transferable substructures to intrinsic geometry of the representation space. However, characterizing such intrinsic geometry has rarely been touched. Grounded in Riemannian geometry, we develop a graph intrinsic geometry learning framework called Neural Vector Bundle, which enables parsing intrinsic geometry with local coordinates. Building on this, we design GAUGE, a pretrainable neural architecture that constructs the vector bundle, flattening geometrically compatible local coordinates, and a new Dirichlet loss, which also measures the transfer effort. We empirically validate its superior expressiveness in challenging tasks including zero-shot link prediction and graph isomorphism.
Authors: Aleix Segui, Wesley Armour
Abstract: In AI for Science, physics-informed losses are increasingly used to train learned compressors for scientific data, but their rate-distortion implications remain poorly understood. At fixed bitrate, these objectives often improve preservation of a target physical observable while degrading standard reconstruction fidelity. We develop a local geometric theory showing that this tradeoff is governed by the interaction of latent-space sensitivities induced by the entropy model, the physical observable, and the distortion metric. At each operating point, these induce preferred directions along which compression noise should be suppressed, yielding an anisotropic error-allocation mechanism. When these directions are misaligned, improving the observable at fixed rate necessarily worsens standard distortion, establishing a fundamental limit on simultaneous preservation. We formalise this through a local tangent-space rate-distortion law and introduce a practical alignment diagnostic based on dominant eigenspace overlap. Experiments across scientific domains test the theory and validate that the alignment diagnostic correlates with observed data- and physics-space trade-offs.
Authors: Yancheng Chen, Dun Ma, Shuai Zhang, Yang Liu, Xixun Lin, Xiangyu Zhao, Wenguo Yang, Wei Chen, Chuan Zhou
Abstract: Graph Foundation Models (GFMs), built upon the Pre-training and Adaptation paradigm, have emerged as a research hotspot in graph learning. For GNN-based GFMs, graph prompt tuning has become the prevailing adaptation method for downstream tasks. Although recent methods explain why graph prompt tuning works, how to rigorously measure its adaptation capacity remains an open problem. Addressing this problem is critical for understanding the capability limits of graph prompt tuning and for developing more powerful adaptation methods. In this paper, we propose Prismatic Space Theory (PS-Theory), a novel mathematical framework to quantify the capacity of adaptation methods, while focusing on establishing the upper bound for the adaptation capacity of graph prompt tuning. Building upon the proposed PS-Theory, we further introduce Message Tuning for GFMs (MTG), a lightweight approach that injects a small set of learnable message prototypes into each layer of the GNN backbone to adaptively guide message fusion without updating pre-trained weights. Through our PS-Theory, we prove that the adaptation capacity of MTG can exceed the theoretical upper bound of graph prompt tuning. Extensive experiments demonstrate that MTG consistently outperforms graph prompt baselines across diverse benchmark datasets, providing strong empirical support for our theoretical findings.
Authors: Jaeyoon Sim, Soojin Hwang, Seunghun Baek, Guorong Wu, Won Hwa Kim
Abstract: Understanding complex interactions between brain regions is critical for early neurodegenerative disease classification such as Alzheimer's Disease (AD) and Parkinson's Disease (PD). While graph-based models are widely used to analyze brain networks, most existing approaches primarily focus on pairwise interactions between directly connected nodes, limiting their ability to capture higher-order dependencies across multiple regions. Although hypergraph-based methods have been proposed to model higher-order relations, many rely on predefined hyperedges or restrict learning to hyperedge weights, reducing flexibility and limiting their capacity to capture multi-resolution structural patterns. In this regard, we introduce an adaptive multi-scale hyperedge learning framework, i.e., MuHL, which constructs hierarchical node features and dynamically learns high-order interactions through continuous hyperedge construction over multi-resolution graph signals. Extensive experiments on multiple brain network benchmarks demonstrate that MuHL consistently improves disease classification performance across different stages, and further identifies key regions of interest (ROIs) and their group-wise interactions from the learned hyperedges that are associated with disease progression, highlighting its potential as a powerful tool for brain network analysis in neurodegenerative disorders.
Authors: Ankang Yang, Jitao Zhao, Dongxiao He, Liang Yang, Di Jin, Weixiong Zhang
Abstract: Graph foundation models aim to learn transferable knowledge from diverse graphs for generalization to unseen graphs and tasks. Unlike text and images, graphs lack a shared vocabulary or regular spatial grid, making cross-graph transfer challenging. This challenge comes from both feature discrepancies and, more critically, diverse graph structures. Existing GFMs mainly improve transferability by unifying feature spaces or incorporating structural tokens and vocabularies. However, existing topology-aware designs still have limitations. Structural tokens are usually discrete, while structural vocabularies often rely on predefined substructures such as trees and cycles, whose limited coverage may miss richer relational patterns across graphs. Moreover, graph signals contain both high-frequency local patterns and smoother low-frequency patterns, which require different propagation behaviors. These components are often entangled in raw graph signals, while this spectral perspective is rarely explored in existing GFMs. To address these challenges, we propose SPG, a graph foundation model with spectral parsing and prototype-guided spatial propagation. SPG applies learnable Chebyshev filters to decompose node features into multiple spectral responses, reducing the mismatch between frequency-specific graph signals and propagation behaviors. It then constructs a Gromov-Wasserstein prototype geometry to distill transferable pairwise relations beyond predefined substructures into a shared structural space. The learned prototype geometry is further projected back as a prototype-guided propagation operator. Experiments demonstrate consistent improvements in cross-domain generalization.
Authors: Doyeong Lim, Seungyoon Lee, In Cheol Bang
Abstract: Artificial-intelligence surrogates can support second-by-second thermal-hydraulic forecasting, but models selected and frozen offline may become condition-locked once deployed outside their pretraining envelope. This study develops a guarded continual-adaptation framework for experimental thermal-hydraulic loop data in which role-separated agents - Monitor, Diagnosis, Adaptation, Safety-Auditor, and Orchestrator - diagnose error signatures, prioritize candidate model families, and review promotions, while deterministic champion-challenger gates and background shadow learning retain final authority over model replacement. Seven surrogate families were screened by blocked three-fold cross-validation, and a temporal Fourier neural operator was selected as the initial champion for 60-s-history-to-10-s-trajectory forecasting on two held-out transients, with three seeds per adaptive mode. Static deployment gave a channel-averaged MAE of 7.06 and a 56.8% warning-exceedance ratio; rule-based adaptation reduced MAE to 6.54, whereas shadow refresh alone remained close to Static. The MA-Full mode, in which the role-separated multi-agent council reviews every evaluated stream step, achieved the lowest mean error, 5.72, and 35.8% exceedance, corresponding to a 19.0% improvement over Static. Paired bootstrap intervals against Static excluded zero, although intervals among adaptive modes overlapped and the six paired units limit broad statistical claims. Validated promotions from the neural operator to Transformer and graph neural network indicate that logged, gate-controlled adaptation can support auditable surrogate evolution while deterministic gates retain deployment authority.
Authors: Jaeyoon Sim, Minjae Lee, Guorong Wu, Won Hwa Kim
Abstract: The graphical representation of the brain offers critical insights into diagnosing and prognosing neurodegenerative disease via relationships between regions of interest (ROIs). Despite recent emergence of various Graph Neural Networks (GNNs) to effectively capture the relational information, there remain inherent limitations in interpreting the brain networks. Specifically, convolutional approaches ineffectively aggregate information from distant neighborhoods, while attention-based methods exhibit deficiencies in capturing node-centric information, particularly in retaining critical characteristics from pivotal nodes. These shortcomings reveal challenges for identifying disease-specific variation from diverse features from different modalities. In this regard, we propose an integrated framework guiding diffusion process at each node by a downstream transformer where both short- and long-range properties of graphs are aggregated via diffusion-kernel and multi-head attention respectively. We demonstrate the superiority of our model by improving performance of pre-clinical Alzheimer's disease (AD) classification with various modalities. Also, our model adeptly identifies key ROIs that are closely associated with the preclinical stages of AD, marking a significant potential for early diagnosis and prevision of the disease.
Authors: Hu Xu, Zhaolong Xing, Congcong Liu, Jiaxing Wang, Zhida Jiang, Junshi Huang, Zhen Chen, Jianfeng Xu
Abstract: Post-training pruning compresses large language models to high sparsity using a small unlabelled calibration set, and recent work has concluded that the choice of calibration source has only modest impact on averaged post-pruning accuracy. We ask whether this conclusion survives once calibration impact is evaluated separately across distinct capability dimensions rather than aggregated. Decomposing post-pruning capability into General, Commonsense, Code, and Math, and analysing $n{=}15$ calibration sources via Spearman correlations between OIT information metrics and per-dimension retention, we uncover an opposite-sign trade-off: calibration perplexity correlates positively with General retention ($\rho{=}{+}0.71$) but negatively with Math and Code retention ($\rho{=}{-}0.53,\,{-}0.59$; $p{<}0.05$), so no single source can preserve all capabilities. We respond with multi-source calibration mixing, and propose IGSP, an information-guided self-calibration protocol that automates multi-source construction without capability-aligned corpora by minimising 4-gram aggregation and balancing perplexity across dimensions. On LLaMA-3.1-8B at SparseGPT 60% sparsity, a uniform multi-source mix reaches 58.8% total retention, outperforming the best single source (MetaMath, 50.0%) by $+8.8$ and the C4 default (40.0%) by $+18.8$; IGSP improves over Self-Cal by $+2.4$ and SGS by $+4.8$.
Authors: Gurvan Richardeau, Gohar Dashyan, Erwan Le Merrer, Gilles Tredan
Abstract: Literature reveals that a Large Language Model's (LLM) behavior is not only conditioned by its original weights but also its instance-level parameters, such as instructional prompt, sampling configuration or quantization. A model that generates safe outputs under one configuration may produce toxic content under another. However, current LLM identification techniques (such as fingerprinting) focus on intellectual property protection, and their design favors robustness to changes in these instance-level parameters. This poses a critical challenge for AI regulation in which compliance assessments target actual deployed behaviors, not model provenance. In this paper, we introduce instance-level fingerprinting, a regulator-oriented paradigm that distinguishes configurations of the same LLM. Our method FLIPS, exploits biases in generated binary random sequences to reach 96% (closed-set) and 90% (open-set, where some targets are unknown) identification accuracy across 237 model instances, versus 35% for the adapted LLMmap baseline. This shows that instance-level fingerprinting is both necessary for regulation and practically feasible. Code available at https://github.com/GurvanR/FLIPS-LLM-Instance-Fingerprinting.
URLs: https://github.com/GurvanR/FLIPS-LLM-Instance-Fingerprinting.
Authors: Roman Plaud, Alexandre Perez-Lebel, Antoine Saillenfest, Thomas Bonald, Marine Le Morvan, Ga\"el Varoquaux, Matthieu Labeau
Abstract: Probabilistic models are typically trained using task-agnostic objectives like log-loss, which can lead to significant errors in downstream estimation. This disconnect is especially critical in Inverse Probability Weighting (IPW) for causal inference, where propensity score errors near $0$ and $1$ often lead to high bias and variance. We propose a principled framework for deriving task-specific strictly proper scoring rules by matching the local curvature of the downstream error metric. We apply this to the Average Treatment Effect (ATE) estimation, deriving a closed-form loss and its corresponding canonical probability mapping that can be readily integrated with any model like a neural network or a gradient boosting algorithm. Extensive evaluations on causal inference benchmarks demonstrate that our tailored objective consistently outperforms standard likelihood-based and covariate-balancing approaches.
Authors: Julie Mordacq, Vicky Kalogeiton, Steve Oudot
Abstract: Self-supervised learning (SSL) has emerged as a powerful paradigm for learning meaningful representations from unlabeled data. However, the standard protocol for evaluating these representations, linear probing, is computationally expensive, sensitive to hyperparameters, and provides limited insight into the geometric structure of the representation space. In this work, motivated by connections between neural network generalization and intrinsic dimension (ID) we propose IdEst, a method for estimating the ID of SSL representations via the Minimum Spanning Tree dimension estimator ($\mathrm{dim}_\mathrm{MST}$). Across diverse datasets, architectures, and SSL pretraining objectives, we show that IdEst strongly correlates with downstream linear probe performances. Furthermore, we demonstrate that IdEst enables efficient hyperparameter selection, significantly reducing the computational cost compared to supervised alternatives. Our results highlight intrinsic dimensionality as a principled geometric proxy for assessing SSL representations, complementing standard supervised probing protocols.
Authors: Jungkyu Kim, Taeyoung Park, Kibok Lee
Abstract: Score-based diffusion models have emerged as prominent deep generative models; however, their application to tabular data remains challenging because their backbones assume fully specified inputs, whereas real-world tabular data often contain missing values. We propose AugMask, a plug-and-play training framework that adapts missing-unaware backbones to incomplete data by separating conditioning from supervision. AugMask 1) constructs numeric inputs via conditional stochastic augmentation using lightweight auxiliary models, and 2) applies denoising supervision only to observed coordinates. In effect, augmented missing entries serve as uncertain conditioning context rather than training targets. We connect this training rule to a Rao--Blackwellized objective and show that marginalizing missing entries yields a variance-weighted sensitivity penalty, discouraging over-reliance on uncertain completions. Across diverse datasets and missingness regimes, AugMask enables standard diffusion-based tabular generators to outperform specialized missing-aware baselines.
Authors: Aishwarya Venkataramanan, Sai Karthikeya Vemuri, Joachim Denzler
Abstract: Physics models are inherently imperfect due to misspecified or missing mechanisms, resulting in systematic discrepancies between model predictions and real-world observations. The Kennedy-O'Hagan (KOH) framework addresses this issue through explicit discrepancy modeling. However, its non-amortized, per-instance formulation limits scalability across families of related systems. We introduce Amortized Physics-Informed Calibration (APIC), a population-level extension of KOH that leverages Neural Processes to perform scalable Bayesian inference across realizations. Our framework employs a two-branch latent architecture to disentangle instance-specific physical parameters from shared, state-dependent structural discrepancies. By integrating differentiable physics into an amortized inference backbone, APIC enables rapid calibration of unseen realizations from sparse observations while quantifying uncertainty. Experiments on the damped spring oscillator, the Lotka-Volterra system, and the advection-diffusion PDE with misspecified physics demonstrate improved parameter recovery and consistent identification of the systemic discrepancy structure compared to other calibration approaches.
Authors: Dejan Radovanovic, Maximilian Schirl, Andreas Unterweger, G\"unther Eibl
Abstract: Smart meter data can reveal sensitive socio-demographic characteristics of households, raising privacy concerns. While this risk has been demonstrated at fixed granularities, the role of temporal resolution in shaping inference performance remains insufficiently explored. This paper addresses this gap by analyzing how load profiles with granularities from 15 minutes to 7 days affect the predictability of eight socio-demographic attributes in a dataset of 1,589 households over one year. We introduce an evaluation framework where classifiers are trained on year-round data but tested on arbitrary weeks, forcing generalization across seasonal and weekly variations. Our results show three main findings. First, while coarsening granularity reduces predictive accuracy, two plateaus emerge: performance is stable between 15 minutes and 1 hour, and again between 1 and 7 days. This reveals opportunities for data minimization without sacrificing utility. Second, interpretable handcrafted and tsfresh features remain competitive with CNN-based autoencoder embeddings, while XGBoost consistently outperforms alternative classifiers. Third, feature importance analysis highlights differences between static and dynamic attributes: dwelling size can be inferred even from coarse data, whereas swimming pool usage requires fine-grained temporal signals. Overall, our study provides new insights into the privacy-utility trade-off in smart metering, showing how temporal resolution, feature extraction, and classifier choice jointly influence socio-demographic inference.
Authors: Can Lv, Mingju Chen, Heng Chang, Shiji Zhou
Abstract: Rubric-based rewards are increasingly used for open-ended language model post-training, but criterion-level scores are often aggregated as independent utilities. This flat scalarization ignores rubric-specified prerequisite and activation relations among criteria, allowing reward or penalty to be counted even when the condition that licenses it is absent. We call this structural reward-aggregation failure \textbf{False Credit Propagation} (FCP). To address this limitation, we propose \ourname (\textbf{G}raphical \textbf{E}vent \textbf{A}ggregation for \textbf{R}ubric rewards), a probabilistic graphical framework for dependency-aware rubric aggregation. \ourname models each criterion outcome as a latent Bernoulli event in a typed rubric graph, propagates soft suppression from unsupported parent events to their children, and aggregates the resulting event probabilities into a normalized expected signed utility. This yields a linear-time reward computation that can be plugged into standard rubric-based RL pipelines without changing the outer optimization algorithm. Experiments on HealthBench, WritingBench, and PLawBench with two policy backbones show that \ourname consistently improves over flat aggregation and deterministic gating, achieving relative gains of up to 15.5\% over flat aggregation. FCP diagnostics further show that \ourname reduces leakage by 96.5\% relative to flat aggregation while preserving more licensed downstream utility than deterministic gating. Our code is publicly available at https://github.com/LvCan926/GEAR.
Authors: Guillaume M\'erou\'e, Fabien Gandon, Pierre Monnin
Abstract: Embedding models (KGEMs) constitute the main link prediction approach to complete knowledge graphs. Standard evaluation protocols emphasize rank-based metrics such as MRR or Hits@$K$, but usually overlook the influence of random seeds on result stability. Moreover, these metrics conceal potential instabilities in individual predictions and in the organization of embedding spaces. In this work, we conduct a systematic stability analysis of multiple KGEMs across several datasets. We find that high-performance models actually produce divergent predictions at the triple level and highly variable embedding spaces. By isolating stochastic factors (i.e., initialization, triple ordering, negative sampling, dropout, hardware), we show that each independently induces instability of comparable magnitude. Furthermore, for a given model, hyperparameter configurations with better MRR are not guaranteed to be more stable. Moreover, voting, albeit a known remediation mechanism, only provides a limited enhancement of stability. These findings highlight critical limitations of current benchmarking protocols, and raise concerns about the reliability of KGEMs for knowledge graph completion.
Authors: Bingxu Liu, Jiashun Liu, Johan Obando-Ceron, Hao Wang, Runze Liu, Pablo Samuel Castro, Aaron Courville, Ling Pan
Abstract: While Proximal Policy Optimization (PPO) demonstrates strong performance in stationary settings, we show that its standard optimization paradigm struggles in continual and non-stationary environments. The failure does not stem from insufficient model capacity or overly restrictive clipping. Instead, PPO performs persistent, directionally inefficient local updates, which indicates a lack of geometry-aware guidance for accumulating meaningful behavioral change and ultimately hindering transitions toward new behavior patterns. Although divergence-based regularization introduces partial geometric awareness, its monotonically increasing penalties implicitly discourage large policy deviations, even when such shifts are necessary for effective adaptation. To address this limitation, we propose Gaussian Trust Region Policy Optimization (GTR), which reshapes the trust region using a Gaussian kernel. The resulting constraint is bounded and non-monotonic, providing strong local stability while progressively relaxing under sustained high-advantage updates. To further improve robustness, we introduce a Mixture Gaussian Anchor that adapts to recent policy trajectories, reducing variance induced by stale references. GTR is architecture-agnostic and achieves strong performance across games, simulated robotic control, open-world exploration, and language model post-training. These results demonstrate that geometry-aware trust-region design can be a promising direction for robust reinforcement learning in complex non-stationary environments. Our code is available at https://anonymous.4open.science/r/GTR_demo/README.md.
Authors: Canbin Huang, Tianyuan Shi, Xiaojun Quan, Jingang Wang, Jianfei Zhang, Qifan Wang
Abstract: Model merging has emerged as a cost-effective approach for consolidating the capabilities of multiple LLMs without retraining. However, existing merging techniques, largely based on linear parameter arithmetic or optimization, struggle when applied to Mixture-of-Experts (MoE) architectures. We identify a critical failure mode in MoE merging, termed routing breakdown, in which the merged router fails to dispatch tokens to suitable experts. Routing breakdown stems from the sensitivity of the non-linear softmax and discrete Top-k routing mechanisms to parameter perturbations from merging, a sensitivity further amplified by load-balancing constraints imposed during MoE pretraining. Because fine-tuned experts exhibit distinct specializations, even modest misrouting can cause severe performance degradation. To address this issue, we propose Hessian-Aware Router Calibration (HARC), a training-free framework that leverages second-order curvature information to realign the merged router. This approach admits a closed-form solution that can be efficiently solved using a matrix-free conjugate gradient method. Experiments on mathematical reasoning and code generation tasks show that HARC effectively mitigates routing breakdown across diverse MoE merging baselines and leads to substantial performance improvements. Our code is available at https://github.com/huangcb01/HARC.
Authors: Kexiang Mao
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: Lorenz K. Muller, Philippe Bich, Chiara Boretti, Hyun-Min Chang, Jiawei Zhuang, Lukas Cavigelli
Abstract: Test-time scaling is a powerful approach to obtain better reasoning in large language models, but it becomes memory-bottlenecked during long-horizon decoding, as the KV-cache grows. KV-cache quantization can help improve this, but current methods are evaluated under prefill-like settings and errors behave differently under autoregressive decoding. We show that in the latter regime, quantization errors accumulate across timesteps, driven primarily by incorrect token scales. We introduce KVarN, a calibration-free KV-cache quantizer that applies a Hadamard rotation followed by a dual-scaling variance normalization across both axes of the K and V matrices. We find that this combination fixes outlying token-scale errors and substantially reduces error accumulation over existing baselines. KVarN establishes a new state-of-theart for KV-cache quantization on generative benchmarks, including MATH500, AIME24 and HumanEval, at 2-bit precision. A vLLM implementation of the KVarN method is available at https://github.com/huawei-csl/KVarN
Authors: Anubha Goel, Juho Kanniainen
Abstract: Graph neural networks have achieved strong performance on graph-structured data, but their effectiveness depends heavily on the quality of the observed graph. In real applications, graph topology is often imperfect: noisy edges may connect unrelated nodes, while missing edges may prevent useful information from being propagated. Existing robust graph learning methods mainly address this problem by removing suspicious edges or by learning a new graph structure during training. However, edge removal alone cannot recover missing connections, and graph structure learning may introduce additional optimization complexity. In this paper, we propose Topology-Aware Gaussian Repair (TAGR), a simple graph repair framework for robust message passing in graph neural networks. Instead of learning a dense adjacency matrix, TAGR constructs a sparse feature-neighborhood graph using an adaptive Gaussian kernel and combines it with a topology-aware residual correction of the observed graph. The Gaussian repair component introduces auxiliary edges between feature-similar nodes, while the residual correction preserves and reweights the original topology according to local feature and structural consistency. The repaired graph can be used directly with standard graph neural networks without changing their architectures. Extensive experiments on benchmark citation networks show that TAGR improves the robustness of GNNs under both noisy-edge and missing-edge settings. The analysis further show that Gaussian feature-neighborhood repair provides the main robustness gain, while topology-aware residual correction improves stability when the observed graph is incomplete. These results suggest that effective graph robustness can be achieved through lightweight sparse graph repair rather than dense graph structure learning.
Authors: Artur Zagitov, Alexander Miasnikov, Maxim Krutikov, Vladimir Aletov, Gleb Molodtsov, Nail Bashirov, Artem Tsedenov, Aleksandr Beznosikov
Abstract: Post-training compression is essential for deploying large language models (LLMs) under tight resource constraints. Tensor decompositions have emerged as a promising direction, offering compact parameterizations well suited to Transformer weight structures. However, existing studies evaluate these methods in narrow settings, leaving unclear whether tensorization is effective at large-scale deployment. We systematically evaluate tensor compression across dense and MoE architectures, establishing performance trade-offs grounded in both empirical analysis and theoretical analysis. We identify a fundamental mismatch between the shared subspaces assumed by tensor decompositions and the heterogeneous representations learned by modern LLMs, thereby delineating their practical limits and clarifying their viable role in large-scale deployment. The code is available at https://github.com/brain-lab-research/TT-LLM.
Authors: Ekaterina Alimaskina, Gleb Molodtsov, Aleksandr Beznosikov
Abstract: Hyper-Connections (HC) replace the single Transformer residual stream with multiple streams, introducing a permutation symmetry over stream indices. We study how this symmetry is resolved in practice: whether streams specialize in a balanced way or exhibit dominant-stream usage. Using fine-grained diagnostics for HC-based language models, we trace how multi-stream representations are actually used. We find that after an early seeding stage, residual mixing often remains close to identity, limiting a core HC mechanism for exchanging information between streams. Moreover, both signal and interpretable features concentrate in a dominant stream, and the nominally multi-stream residual connection can underutilize its capacity, behaving closer to a single-stream residual pathway. Finally, we show that breaking symmetry at stream initialization reduces dominant behavior and improves performance across \textit{m}HC variants. Our code is publicly available.
Authors: Zongrui Li, Yuhang Zhao, Ying Zhao, Yuanzhao Guo, Qiang Huang, Yuan Tian
Abstract: Heterogeneous graph neural networks (HGNNs) have demonstrated remarkable performance in modeling complex relational data, however their interpretability in high-stakes applications remains a critical challenge. Existing explanation methods suffer from two major limitations: on the one hand, the generated explanations fail to reflect the inherent semantic hierarchy of HGNNs, resulting in a lack of fidelity to the model's internal decision-making mechanism; on the other hand, feature explanations often rely on complex search or perturbation mechanisms, leading to excessive computational complexity and poor efficiency. To address these issues, we propose HiSE, a lightweight feature-oriented interpretable model for HGNNs. HiSE achieves semantically aware feature explanations through hierarchical semantic modeling: at the semantic level, local surrogate models based on the Least Absolute Shrinkage and Selection Operator (LASSO) are employed to learn sparse feature representations under each semantic view; at the cross-semantic level, the contributions of different semantic views are adaptively characterized via KL divergence to produce a unified explanation. Extensive experiments demonstrate that HiSE outperforms existing methods in terms of fidelity, robustness, and cross-semantic explanation capability, while its lightweight framework incurs low computational overhead, enabling efficient application to large-scale, complex real-world heterogeneous graphs.
Authors: Ivan Ilin, Peter Richt\'arik
Abstract: Training modern machine learning models increasingly requires computation to be distributed across many accelerators. Data parallelism remains the default choice and is often paired with tensor-parallel sharding, but model parallelism becomes unavoidable once parameters, activations, or optimizer states no longer fit on a single device. This paper studies pipeline model parallelism through the lens of PipeDream (PD) (Harlap et al., 2018). Our first contribution is theoretical: we introduce Randomized PipeDream (RPD), a stale block-SGD abstraction that yields, to our knowledge, the first clean nonconvex convergence guarantee for a PD-style method. Our second contribution is a scaling diagnosis: we prove that the delay induced by steady-state PD grows as $S^2 - S/2 + O(1)$ for $S$ stages, so the stale-read contribution in the convergence theorem scales as $\Theta(\gamma^2 S^4)$, equivalently as $\Theta(S^4/K)$ in the tuned-rate form. Our third contribution is a comparison with LocalSGD, whose periodic model averaging trades weight staleness for synchronization bubbles. In our reported simulated-time experiments, the better-performing method depends on the objective: PD performs better on the quadratic objective and on a small language-modeling training-loss task, while for logistic regression LocalSGD becomes superior as the number of stages increases.
Authors: Siemen Herremans, Ali Anwar, Siegfried Mercelis
Abstract: To improve the real-world applicability of reinforcement learning (RL), the field of adversarially robust RL studies how to train agents under adversarial environment perturbations. In this setting, a protagonist agent optimizes a policy under environmental perturbations from an adversary, resulting in a zero-sum Markov game. When adversarially robust RL is combined with model-based RL, the adversary can target a learned transition model instead of the training environment. Extending this idea, this work introduces post-hoc robustification of deep RL agents at inference time. By using the learned model in combination with a trained nominal policy, our approach performs a robust policy improvement step. The goal is to improve robustness without any additional training of neural networks. Specifically, we utilize model-predictive control under adversarial rollouts, which are approximated via projected gradient descent within a bounded uncertainty set. Furthermore, these offline rollouts are performed while considering and mitigating out-of-distribution issues. The proposed methodology is validated by demonstrating significant improvements in robustness when the algorithm is evaluated in perturbed Gymnasium MuJoCo environments, while considering the computational limitations of the post-hoc inference setting.
Authors: Haowei Guo, Baolong Bi, Ruicheng Zhang, Bingqian Sun, Wentao Zhang
Abstract: Self on-policy distillation trains a student policy against a teacher derived from its own parameter history, yet the teacher's update schedule -- which governs the \emph{temporal coupling} between teacher and student -- has not been systematically studied as a stability variable. Through a controlled schedule sweep on Qwen3-8B, we establish that \emph{isolation periods}, defined as complete teacher freezing between updates, are the key structural property enabling stable learning, not teacher age. To characterize these underlying training dynamics, we introduce a diagnostic framework of temporal KL structure, refresh shock, and length-tail risk. This framework further uncovers \emph{state-oblivious collapse}: optimal short-horizon fixed schedules catastrophically fail under long-horizon training because a clock-driven refresh can copy a transiently drifting student into the teacher in a single, irreversible step. This failure mode is invisible under short-horizon evaluation and mechanistically distinct from EMA's chronic contamination. To address this, we propose \emph{Consolidation-Gated Teacher Refresh} (CGTR), which preserves isolation periods while gating each refresh on joint evidence of reward improvement and length-tail safety, ensuring every teacher movement responds to genuine student consolidation rather than a clock signal. With a single shared parameter set and no per-dataset retuning, CGTR achieves \textbf{zero collapse} and the best final score on all four tasks (Chemistry, Biology, Physics, ToolUse), self-regulating its refresh frequency to each task's learning dynamics.
Authors: Vadim Porvatov, Andrey Dukhovny, Andrey Lange
Abstract: Hyperparameter optimization (HPO) for Random Forest faces a specific difficulty in tuning the number of trees: the predictive score typically improves monotonically with ensemble size, so standard methods such as Tree-structured Parzen Estimator (TPE) and Hyperband require a predefined search range and often drive the estimate toward its right boundary. Early-stopping strategies avoid fixing such a range, but can be sensitive to score noise and prone to premature stopping. To address this, we propose an integrated triplet-based plateau-search algorithm that removes the number of trees from the direct TPE search space and still exploits information accumulated across HPO trials. The method adaptively tracks a near-minimal sufficient ensemble size by monitoring relative changes in the out-of-bag (OOB) score across a triplet of forest sizes and shifting this triplet accordingly. This yields an automated and user-interpretable procedure based on a tolerance parameter. We also provide a theoretical analysis: we relate the proposed relative OOB-score criterion to the gap between the current and limiting scores, and derive an asymptotic variance estimate for the corresponding OOB-based absolute relative difference. Experiments show that the selected number of trees can differ substantially from the common heuristic: for most classical benchmark datasets it is smaller, whereas for some high-dimensional bioinformatics datasets, such as Arcene and Dorothea, it is larger. The source code and reproducible experiments are available at https://github.com/lange-am/rf_plateau_hpo.
Authors: Yohei Kakimoto, Yuto Omae, Hirotaka Takahashi
Abstract: For nonconvex optimization problems whose objective is the prediction function of a trained Support Vector Regression (SVR) model with the Gaussian radial basis function (RBF) kernel (RBF-SVR), we present a framework that applies the difference of convex functions (DC) algorithm (DCA) by exploiting the analytical structure of the RBF kernel to construct an explicit DC decomposition. Specifically, we derive in closed form both the lower bound $\mu$ of the strong convexity parameter of the DC components and the upper bound $L$ of the gradient Lipschitz constant of the subproblem. Both $\mu$ and $L$ are determined solely by the post-training dual-coefficient sum $C_{\alpha}$ and the RBF kernel parameter $\gamma$, together with the DC decomposition parameter $\rho$, and they share a common leading term $C_{\alpha}\rho$. Through numerical experiments on six benchmark functions, we show that $C_{\alpha}\rho$ is the primary single quantity characterizing both the convergence properties and the initial-point dependence of DCA, and further demonstrate that it decomposes into two independent pathways, $C \to C_{\alpha}$ and $\gamma \to \rho$, with its primary variation governed by the SVR hyperparameters $(C, \gamma)$. Together, these results allow the convergence properties of DCA on RBF-SVR to be assessed in advance through the single scalar quantity $C_{\alpha}\rho$: approximately from $(C, \gamma)$ before training, and exactly in closed form after training.
Authors: Tugdual Kerjan, Rasmus H{\o}ier, Benjamin Scellier
Abstract: Equilibrium Propagation (EP) is a physics-based training framework that has primarily been employed in energy-based models, including continuous Hopfield networks, nonlinear resistive networks and coupled phase oscillators. However, EP's practical applications have so far remained limited to relatively small-scale problems. Predictive coding networks (PCNs), another class of energy-based models rooted in computational neuroscience, are typically trained with a specialized algorithm and have likewise not yet been demonstrated at large scale. In this work, we develop an EP-based training method for PCNs which combines the centered variant of EP with a novel equilibration scheme for PCNs. Using this approach, we train a 10-layer convolutional PCN (VGG10) on full-size ImageNet, achieving 13.23\% test error rate on the top-5 classification task, close to the 12.2\% backpropagation baseline. To our knowledge, this is the first demonstration of both PCNs and EP-based training at ImageNet scale. These results significantly extend the scalability of both approaches and suggest that the primary challenges in scaling EP in other physical systems may come more from the computational properties of these systems than from inherent limitations of the EP framework.
Authors: Bo Peng, Kaiwen Wu, Sirui Chen, Zhiheng Wang, Yu Qiao, Chaochao Lu
Abstract: Causal discovery from observational data remains challenging due to the fundamental limitations of purely statistical methods, such as statistical distinguishability within equivalence classes and sensitivity to finite sample sizes. While large language models (LLMs) offer a promising source of domain knowledge to complement statistical inference, existing LLM-augmented methods are vulnerable to LLM errors and incur high token costs. Moreover, reliance on a single data-centric algorithm can make results sensitive to algorithm-specific biases. To address these limitations, we propose CauTion, a framework that reliably integrates LLM domain knowledge into an ensemble of statistical causal discovery algorithms through consensus filtering and LLM reliability estimation. CauTion proceeds in three stages. First, an algorithm ensemble utilizes a consensus voting to resolve up to 96% of edges on which algorithms agree, achieving near-perfect accuracy on the filtered consensus edges. Second, a trust-calibrated arbitration mechanism estimates the relative reliability of the LLM and the algorithms via an annotation-free trust calibration procedure, which is then utilized to govern a trust-weighted voting process that restricts LLM arbitration exclusively to edges with unreliable algorithmic evidence. Third, a cycle repair step is applied to guarantee the final causal graph is validly acyclic. Experiments on six datasets demonstrate that CauTion consistently outperforms both data-centric and LLM-augmented baselines, with larger gains on larger graphs and strong robustness to LLM errors. Code is available at https://github.com/OpenCausaLab/CauTion.
Authors: Jiahui Li, Jianfeng Shan, Wenpei Chen, Shunyu Wu, Jian Lou, Wenjie Feng, Dan Li, See-Kiong Ng
Abstract: Test-time reinforcement learning has emerged as a promising paradigm for enhancing the complex reasoning abilities of large language models in a completely label-free manner. Despite existing studies focusing on Pass@1 performance, optimizing Pass@k remains under-explored yet critical in label-free settings, which measures generation coverage for sustained exploration. Optimizing Pass@k in label-free setting is highly non-trivial, as directly applying the Pass@k advantage designs effective for RLVR yields unsatisfactory performance. Through in-depth empirical analysis, we discover the root causes hindering performance: pseudo-label estimations for low-confidence samples have a high probability of being incorrect, while candidate answers for high-confidence samples suffer from severe diversity collapse. To overcome these hurdles, we propose TTRL-CoCoV (Test-Time Reinforcement Learning with Confidence-Conditioned Verification), a novel confidence-adaptive framework that expands Pass@k coverage and improves Pass@1 performance. Based on our key insight that verification capability generally leads generation capability, TTRL-CoCoV employs a confidence-conditioned mechanism: for high-confidence samples, it bootstraps verifier and applies an exploration-enhancing reward to prevent diversity collapse; for low-confidence samples, it delegates pseudo-label selection to the verifier to filter incorrect pseudo-labels; and for medium-confidence samples, it bypasses verification entirely. Extensive experiments demonstrate that TTRL-CoCoV outperforms the best competing methods across 6 widely-recognized benchmarks, achieves average absolute gains of +9.8% in Pass@1 and +18.7% in Pass@16 over TTRL, and even achieves absolute Pass@1 improvements of up to +5.0% across multiple reasoning benchmarks when compared against fully supervised RL methods. Our code repository: https://github.com/shanjf666/CoCoV.
Authors: Ke Wang, Yuning Wu, Haoran Liu, Chaoqun Jia, Devin Chen, Kai Wei
Abstract: Self-distilled policy optimization (SDPO) has become a popular paradigm for LLM post-training, where a model learns from its own predictions conditioned on privileged information. SDPO, however, is sensitive to how much each update step should be trusted: corrections from a self-teacher can be highly informative on some batches and misleading on others, and applying them uniformly with a fixed step size can destabilize training. Drawing inspiration from viscous-fluid dynamics and formalizing the analogy at the SDE level, we propose Physics-Guided Policy Optimization (PGPO), which introduces an information-modulated step-size multiplier derived from a mutual-information estimate between the student's predictions and the feedback-conditioned teacher. We show that this modulation preserves the order-1 weak-approximation guarantees of vanilla SGD, and incurs negligible overhead per iteration. We evaluate PGPO on the Science-QA dataset, where it outperforms SDPO on 3 of the 4 domains with gains of up to +4.5 points, while remaining stable in a setting where SDPO collapses late in training.
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: Fengtao Zhou, Yingxue Xu, Zhengyu Zhang, Yihui Wang, Zhengrui Guo, Ling Liang, Jiabo Ma, Cheng Jin, Ziyi Liu, Huajun Zhou, Hongyi Wang, Du Cai, Chenglong Zhao, Xi Wang, Can Yang, Yu Wang, Wenbin Li, Feng Gao, Zhe Wang, Zhenhui Li, Xiuming Zhang, Li Liang, Hao Chen
Abstract: Comprehensive molecular profiling is essential for modern precision oncology but remains hindered by prohibitive costs, specimen exhaustion, and protracted turnaround times. While pathology foundation models (PFMs) have demonstrated potential for inferring molecular phenotypes from routine hematoxylin and eosin (H&E) whole-slide images (WSIs), current architectures primarily rely on vision-centric self-supervised learning or vision-language alignment, lacking the spatially resolved molecular supervision required to connect subtle morphological features with underlying genomic alterations. Spatial transcriptomics (ST) emerges as a transformative technology that enables transcriptomic quantification within intact tissue sections, thereby preserving the precise spatial link between histology and molecular profiles. In this study, we present a Spatial Transcriptomics-guided Alignment framework for Molecular Profiling (STAMP), which endows PFMs with intrinsic molecular awareness. To support this paradigm, we curated HumanST-1k, a human ST dataset spanning diverse anatomical organs and sequencing platforms. This atlas yields 1.8 million pairs of H&E patches and corresponding transcriptomic profiles, providing a corpus that links histological structures with their molecular states. To mitigate the technical noise inherent to raw transcriptomics, STAMP applies a pathway-informed alignment strategy that aggregates transcriptomic data into biologically functional pathways, which are subsequently integrated into PFMs via parameter-efficient fine-tuning. This alignment enriches the representation space of PFMs and unlocks their capacity to resolve sub-visual molecular signatures. The clinical utility of these augmented representations was validated through a multi-tier evaluation framework.
Authors: Liuyuan Wen, Xun Zhu, Lihao Huang, Wenbin Li, Yang Gao
Abstract: Large Language Models exhibit paradoxical fragility in fundamental arithmetic, implying a disconnect between internal computation and discrete output. By analyzing the residual stream geometry during multi-operand addition, we identify the Iso-Raw-Sum Trajectory (IRST), a geometric structure where representations are anchored by semantic digits and modulated by continuous carry fibers. We propose the Noisy Quantization Model to explain this geometry, framing arithmetic errors as Geometric Slippages caused by internal neural noise pushing a continuous, latent Carry Potential across quantization thresholds. This geometric framework further elucidates Probe Versatility, explaining how lightweight probes can disentangle coexisting latent signals (such as ground truth versus hallucination) from a single activation vector. Finally, we validate these insights through a geometric consistency check method that effectively detects and corrects these quantization failures during inference. Our code is available at https://github.com/RL-MIND/Shape-of-Addition.
Authors: Salih Bora Ozturk, Alexander Pfefferle, Frank Hutter
Abstract: Pretraining cost is a major bottleneck for research on tabular foundation models, slowing the iteration cycle for new architectures, priors, and optimization ideas. Yet the community lacks a simple way to compare and accumulate pretraining speedups. We introduce a community speedrun for nanoTabPFN: contributors modify a single-file training script and compete to reach a fixed downstream ROC AUC target on subsampled TabArena using one NVIDIA L40S GPU. The current best record reaches the target in 0.92 minutes, an 81x speedup over the 74.32 minute baseline while using 22x fewer synthetic datasets. The speedrun format provides a simple protocol for the community to add, verify, and stack pretraining improvements, with the leaderboard open to contributions. Code and records are available at https://github.com/borawhocodess/modded-nanotabpfn.
Authors: Patrick Emami, Nan Qiang, Peter Graf
Abstract: Supervised fine-tuning (SFT) improves end-to-end classical planning in large language models (LLMs), but do these models also learn to represent and reason about the planning problems they are solving? Due to the relative complexity of classical planning problems and the challenge that end-to-end plan generation poses for LLMs, it has been difficult to explore this question. In our work, we devise and perform a series of interpretability experiments that holistically interrogate world model recovery by examining both internal representations and generative capabilities of fine-tuned LLMs. We find that: a) Supervised fine-tuning on valid action sequences enables LLMs to linearly encode action validity and some state predicates. b) Models that struggle to use output probabilities for classifying action validity may still learn internal representations that separate valid from invalid actions. c) Broader state space coverage during fine-tuning, such as from random walk data, yields more accurate recovery of the underlying world model. In summary, this work contributes a recipe for applying interpretability techniques to planning LLMs and generates insights that shed light on open questions about how knowledge is represented in LLMs.
Authors: Mariana Vargas Vieyra
Abstract: Survival Analysis (SA) is a statistical framework that models the time span until some event of interest occurs. Widely used in several domains, including healthcare and churn prediction, a central challenge in its applicability stems from the time of the event being partially observed or \emph{right-censoring}. Tabular Foundation Models (TFM) have attracted significant interest in recent years due to their ability to perform prediction tasks in a single forward pass, requiring no dataset-specific parameter fitting. Despite their success, their application to prediction tasks on time-to-event data remains difficult due to right censoring. In this work, we present a training-free method to survival regression by leveraging TFMs to both predict the time of the event and iteratively impute right-censored data. Our method uses a TFM to construct an Accelerated Failure Time (AFT) model requiring no training beyond fitting a single scalar parameter. Subsequently, by building on the Buckley-James estimator, we introduce a non-parametric in-context estimator for right-censored data. Our experiments on standard survival analysis benchmarks show that our method is competitive with several parametric and semi-parametric survival regression models that require training, including Cox regression and parametric AFT models.
Authors: Sangeun Park, Minhae Kwon
Abstract: A central goal of large language model (LLM) research is to build agentic systems that can plan, act, and adapt through sustained interaction with dynamic environments. While recent LLM-based agents exhibit impressive contextual reasoning, their long-horizon decision-making remains fragile, often suffering from objective drift, where goals and plans drift over extended interactions. We introduce Multi$^2$, a hierarchical multi-agent decision-making framework that explicitly decomposes agent behavior into complementary roles. A high-level agent (System 1) focuses on context-aware sub-goal generation using supervised fine-tuning (SFT), while a low-level agent (System 2) executes atomic actions through offline-to-online reinforcement learning (RL) in interactive environments. This separation enables stable long-horizon control, mitigates objective drift, and allows efficient adaptation. Across diverse interactive environments, Multi$^2$ consistently outperforms strong agentic baselines, demonstrating improved robustness and coordination in multi-turn interaction. Beyond performance, we introduce and release three hierarchical benchmark datasets, filling a long-standing gap in training and evaluating hierarchical decision-making for LLM-based agents.
Authors: Ding Zhang, Runtao Zhou, Wenqing Zheng, Rizal Fathony, Bayan Bruss, Chirag Agarwal
Abstract: Graph Language Models (GLMs) have become a promising direction for adapting Large Language Models (LLMs) to graph learning tasks. By transforming graph topology and node information into graph tokens, GLMs allow LLMs to jointly process structured graph inputs and textual instructions. Yet, it remains unclear how LLMs internally interpret these graph tokens and whether graph tokens act as meaningful carriers of graph structure. In this work, we analyze how LLMs process graph information through graph-token behavior in representative GLM architectures. Findings. We find that the internal saliency of graph tokens in GLMs is not equivalent to graph information utilization. Graph sink tokens consistently emerge as activation-level outliers: they can be identified by massive activation values along a small set of hidden-state dimensions and are biased toward early graph-token positions. However, this activation-level saliency does not imply that these tokens are the main carriers of graph information. Unlike classical attention sinks in language and vision-language models, graph sink tokens do not necessarily attract the largest attention weights from query tokens. Through pruning, repositioning, and swapping interventions, we show that graph sink tokens are not the most important semantic or structural tokens for downstream prediction. Implications. Together, these results suggest that after current GLMs map graph structure into the LLM token space, the resulting graph-token representations do not naturally form a fully usable topology-aware internal representation; instead, they exhibit a decoupling between activation-level saliency and graph-semantic utility. This decoupling points to limitations in existing graph-token construction, placement, and alignment mechanisms.
Authors: Zhengbao He, Ruiqi Ding, Zhehao Huang, Ruikai Yang, Tao Li, Xiaolin Huang
Abstract: Low-rank adaptation (LoRA) enables parameter-efficient specialization of foundation models, but the proliferation of task-specific adapters fragments capabilities across many adapters, complicating reuse and deployment. We study the problem of merging $T$ LoRAs into a single rank-$r$ LoRA, thereby preserving the benefits of low-rank structure. Existing Merge-then-Compress pipelines treat the rank constraint as an afterthought: they merge adapters in the full parameter space, then compress the merged result to rank $r$ via truncated SVD. However, full-parameter merging may destroy the low-rank structure, making it difficult for subsequent compression to recover an effective rank-$r$ LoRA. We propose Compress-then-Merge (CtM), a reversed pipeline that enforces the rank-$r$ bottleneck before merging: CtM computes shared $r$-dimensional subspaces using only the LoRA weights to capture cross-adapter common structure, projects each adapter into the shared subspaces to obtain $r\times r$ coordinates, and then applies standard merging rules in this reduced space. CtM guarantees a rank-$r$ LoRA by construction, avoiding post-hoc truncation, and enables efficient computation in the core space spanned by concatenated LoRA factors. Experiments across multiple models and tasks show that CtM consistently outperforms existing single-LoRA-output baselines while narrowing the performance gap to full-parameter merging methods.
Authors: Nicolas Emmenegger, Theo X. Olausson, Armando Solar-Lezama, Chara Podimata
Abstract: Large Language Models remain plagued by hallucinations. Recent work has sought to tame their prevalence using statistical techniques based on conformal prediction, with both theoretical and empirical success. However, these methods operate in a post-hoc fashion, treating the sampling procedure itself as atomic and then surgically altering samples to remove hallucinated claims. This disconnect between filtering and generation can result in samples that are incoherent, inconsistent, or simply unlikely under the model itself. Moreover, post-hoc surgery is unable to shift probability mass towards more useful and helpful responses. To address these issues, we propose to instead sample from approximations to an LLM posterior, where the conditioning event corresponds to a calibrated, high-scoring region. We develop a calibration procedure tailored to the setting of conditional sequential generation that effectively identifies this region and achieves target risk control. Empirically, we apply our method to case studies focused on open-ended biography generation and mathematical problem solving; compared to prior work, we obtain the same statistical guarantees, with higher downstream utility.
Authors: Hongye Cao, Nuo Yan, Haoyuan Deng, Ziwei Wang, Tianpei Yang, Jing Huo, Yuyao Zhang, Yang Gao
Abstract: Agentic reinforcement learning (RL) equips large language models (LLMs) with tool-use capabilities that substantially improve reasoning on complex tasks. However, integrating external tools often destabilizes training: over-reliance on tools can induce input distribution shift, while overly conservative tool use limits effective exploration. To address this issue, we propose a unified framework TAO-RL that couples tool-aware trajectory filtering with entropy-guided exploration for efficient policy optimization. Specifically, at the data level, TAO-RL filters rollout trajectories along two criteria: discarding those where all tool invocations fail to execute, and removing those where all rollouts are either correct or incorrect, as both cases yield degenerate advantage estimates that contribute no discriminative learning signal. This joint filtering retains data that are both tool-capable and informative, establishing a high-quality training distribution. At the algorithmic level, we introduce a tool-aware entropy-guided bonus that reshapes the advantage function at post-tool-call tokens, encouraging the policy to explore more diverse reasoning paths at critical decision points. These two components are mutually reinforcing: trajectory filtering establishes a clean and informative training foundation, while entropy-guided exploration drives stronger reasoning behaviors at critical tool-interaction junctures. Extensive experiments on 7 challenging reasoning benchmarks across 3 model scales demonstrate the superiority of TAO-RL over existing methods.
Authors: Romina Garcia Camargo, Zhiyang Wang, Alejandro Ribeiro
Abstract: Graph Neural Networks (GNNs) have emerged as a powerful tool for wireless resource allocation that leverages the underlying graph structure of communication networks. Their transferability property enables models trained on small-scale graphs to generalize to large-scale deployments with little performance deterioration, a desirable property for currently growing networks. Wireless networks are sparse regimes, where a single node is connected to a small number of other users. This work establishes theoretical results for transferability of GNNs over graphs derived from sparse Random Geometric Graphs (RGGs). In particular, we focus on conflict graphs of RGGs used to model interference among links. Our approach considers the closeness between RGGs and Deterministic Grid Graphs (DGG) to establish bounds in the performance loss when a model is transferred across scales. We validate our theoretical findings through the problem of link scheduling, demonstrating that our learned policies consistently outperform existing benchmarks at scale. Finally, we examine the impact of our theoretical assumptions on empirical performance.
Authors: Akshansh
Abstract: The supply of high-quality training tasks is a central bottleneck for reinforcement learning from verifiable rewards (RLVR) on agentic language models. Each task requires a sandboxed setup, a prompt, and a hand-authored reward function, and only tasks that pass a quality bar produce useful training signal. Hand-curation at this quality bar does not scale economically to the task counts effective RL training requires, and the substitution rate between automatically generated task variants and human-authored ones is not yet established. We investigate using pre-specified, gate-filtered augmentations of a small hand-authored base as a substitute for additional human curation during RLVR. We formalize the cost-adjusted trade rate $\rho_{\text{cost}}$ between augmented and human-authored tasks, measure it through a controlled ablation across training corpora with varying augmentation share, and characterize the end-to-end economics of the augmentation pipeline. Substituting augmented content for additional human-authored tasks retains aggregate held-out generalization on a ten-benchmark suite spanning code, instruction following, reasoning, and multi-turn agentic function-calling. The cost-adjusted trade rate $\rho_{\text{cost}}$ between gated synthetic and human-authored RLVR tasks stays in $[1.4\times, 11.6\times]$ across the plausible $c_{\text{human}}/c_{\text{aug}}$ range.
Authors: Stefan Pranger, Bettina K\"onighofer
Abstract: Safe exploration is a key challenge in Reinforcement Learning (RL) that aims to prevent agents from making harmful decisions while exploring their environment. Safe exploration is a key challenge in Reinforcement Learning (RL) that aims to prevent agents from making harmful decisions while exploring their environment. Shielding is one such technique that assumes domain knowledge in the form of an environment model to decide upon action safety. Although well-established, shielding has seen limited adoption in RL due to the lack of accessible end-to-end infrastructure connecting formal shield synthesis with standard RL frameworks. Applying shielding typically requires expertise in formal methods and substantial engineering effort, keeping it outside the typical RL workflow. We address this by extending our shield synthesis tool Tempest into a practical backend for safe RL. Our core contribution is tempestpy, a Python library that integrates Tempest-based shield synthesis directly into the Gymnasium API, allowing shields to be synthesized and deployed within existing RL pipelines. This lowers the barrier to entry for shielding and turns formal safe-exploration methods into a usable component for RL practitioners. We also extend Tempest's algorithmic support to compute sound shields for stochastic multiplayer games, preserving formal safety guarantees. We demonstrate the resulting workflow end to end and evaluate shielded and unshielded RL across multiple environments. To facilitate modeling, we provide symbolic models for MiniGrid and introduce MiniGridSafe, a collection of playground environments designed to make shielding easily accessible and experimentally transparent. MiniGridSafe extends MiniGrid with safety-oriented scenarios featuring probabilistic transitions and additional agents, enabling the study of challenging safety aspects in a simple and intuitive setting.
Authors: Vedant Jawandhia, Daksh Ahuja, Ghufran Alam Siddiqui, Prashant Trivedi, Yash Sinha, Pratik Narang
Abstract: We propose PURGE, a machine unlearning algorithm built on a simple but an under-exploited observation: continual learning (CL) and machine unlearning (MU) which are fundamentally dual problems. CL tries to learn new tasks without forgetting old ones; MU tries to erase specific data without hurting retained performance representing the same underlying tension in opposite directions. PURGE leverages this duality by adapting gradient projection from A-GEM (Chaudhry et al., 2019) so that every unlearning step is constrained to not increase the retain-set loss. On top of this, it performs multi-layer representation erasure, pushing forget-set activations in intermediate layers towards the retain distribution to remove information from hidden representations rather than just suppressing it at the output. A key design choice is the retain-confusion target: rather than pushing forget outputs toward the uniform distribution, which we found to be surprisingly easy for membership inference attacks to detect, we instead target the model's natural confusion pattern on retain data. This makes the unlearned model hard to distinguish from one retrained from scratch. Two self-regulating stopping criteria (a retain-loss budget and a forget-accuracy target) let the algorithm decide on its own when to stop, removing the need for manual epoch tuning. In experiments on five datasets (CIFAR-10, MNIST, SVHN, STL10, PathMNIST) across 22 class-level forgetting tasks, PURGE consistently keeps retain accuracy above 96% while achieving MIA AUROC close to 0.5 (the ideal), outperforming gradient ascent, KL-uniform, and several published baselines on the privacy-utility frontier.
Authors: Peer Rheinboldt, Fr\'ed\'eric Berdoz, Roger Wattenhofer
Abstract: One-shot block drafters for speculative decoding generate the full draft in a single forward pass, achieving strong throughput by eliminating sequential token generation. However, they predict each draft token conditioned only on the prefix context, with no dependence on previously drafted tokens. This non-autoregressive conditioning causes the drafter's distribution to diverge from the verifier's true autoregressive distribution as draft depth grows. This problem becomes more severe in tree-based drafting, where distinct branches are forced to share the same marginal distribution for subsequent tokens. We propose TreeFlash, which addresses this by incorporating an MLP layer conditioned on the drafter's hidden state and the previous token to approximate an autoregressive distribution. TreeFlash retains the $\mathcal{O}(1)$ decoding time complexity of one-shot drafters by employing a two-stage approximation mechanism. TreeFlash achieves state-of-the-art performance across a variety of tasks and models, improving over marginal tree drafting by $12\%$ higher block efficiency and $9\%$ higher speedup.
Authors: Rupa Kurinchi-Vendhan, Sara Beery
Abstract: Active learning is now standard practice in labeling ecological data, enabling ecologists to quickly process large volumes of field data to understand and monitor natural environments. Current practices evaluate active learning inductively, estimating predictive performance on a held-out test set. We argue that this evaluation is misaligned with most ecological tasks, where the goal is to transductively label an entire pool of data as efficiently as possible. We demonstrate that ignoring the human-in-the-loop underestimates the importance of continuing to label, particularly for classes in the long tail which may be of disproportionate ecological importance (rare species, uncommon behaviors, etc.). Our analysis shows that, for this long tail, the transductive objective shifts importance from prediction to discovery: the true challenge becomes finding "needles in the haystack," examples of rare classes that are embedded within dense regions of abundant classes in the latent geometry, which we quantify with a novel metric of sampling difficulty. Finally, to translate these insights to practical ecological workflows, we propose a conservative hybrid stopping criterion inspired by ecological rarefaction curves, and show that combining predictive performance with discovery criteria reduces premature stopping on long-tailed pools, improving rare-class recovery when discovery, not classification, is the limiting factor.
Authors: Oliver Sieberling, Bharat Runwal, Rameswar Panda, Yoon Kim
Abstract: Transformers have become the dominant architecture for large language models, largely due to the scalability and flexibility of attention, feed-forward layers, residual connections, and normalization. This paper introduces dynamic short convolutions as an additional neural network primitive for improving Transformers. Unlike static short convolutions, dynamic convolutions use input-dependent filters, which preserves the locality bias of convolution while increasing expressivity. Motivating experiments show that applying dynamic short convolutions to key, query, and value representations improves performance on challenging associative recall tasks compared with static convolutional variants. Across language-modeling experiments ranging from 150M to 2B parameters, dynamic convolutions consistently outperform standard Transformers and Transformers augmented with static short convolutions. Fitting scaling laws indicates a 1.33$\times$ compute advantage over compute-matched Transformers when dynamic convolutions are applied to the key, query, and value vectors, and a 1.60$\times$ advantage when adding dynamic convolutions after every linear layer. Dynamic convolutions also offer improvements on linear RNNs (Mamba-2/Gated DeltaNet) and mixture-of-experts architectures. We make these gains practical with custom Triton kernels that enable efficient training with a manageable end-to-end slowdown. These results suggest that dynamic short convolutions are a scalable, hardware-efficient, and expressive primitive for advancing Transformer-based language models.
Authors: Yan-Feng Xie, Shuche Wang, Peng Zhao, Zhi-Hua Zhou
Abstract: This paper investigates non-stationary online learning using the metric of interval regret, which requires an online algorithm to perform well over every time interval. We propose the first online learning algorithm that achieves an interval regret bound scaling with gradient variation, a fundamental measure of the cumulative change in online function gradients, which relates to various problem-dependent quantities and is closely connected to stochastic optimization and other problems. Our method employs a simple and efficient two-layer online ensemble structure that achieves strong theoretical guarantees. Specifically, it enjoys a regret bound that simultaneously adapts to various problem-dependent quantities while also preserving the minimax-optimal rate in the worst case. Moreover, recognizing the challenge of hyperparameter tuning, we introduce a Lipschitz- and smoothness-agnostic variant that automatically adapts to these potentially unknown constants. This is primarily enabled by a novel Lipschitz-adaptive meta algorithm, which may be of independent interest. Beyond interval regret, our method also yields broader implications: it provides versatile bounds for interval dynamic regret, a stronger measure that competes with changing comparators over any interval, and yields the first piecewise characterization for stochastic extended adversarial optimization. Theoretical findings are validated by experiments.
Authors: Haowei Han, Yuxiang Wang, Guojia Wan, Hao Wang, Shanshan Feng, Hao Huang, Jiawei Jiang, Xiao Yan
Abstract: Text-Attributed Graph (TAG) is an important type of graph structured data, where each node has a text description. TAG models usually train a Graph Neural Network (GNN) and language model jointly, which leads to high space and time consumption, especially on large datasets. To mitigate this, we propose TAGSAM, a condensation method that compresses TAGs while preserving training accuracy. TAGSAM comes with two key designs, i.e., subgraph text Selection and Attribute similarity Matching, which compress the text description and graph topology of TAG, respectively. For the texts, subgraph text selection selects and merges representative text chunks from multiple related text descriptions by maximizing mutual information. For the graph topology, popular condensation methods based on Matching Training Trajectories (MTT) suffer from high variance, which hinders accuracy. Our attribute similarity matching mitigates this issue by aligning stable similarity matrices. We evaluate TAGSAM against six state-of-the-art baselines, where it showcases superior performance. For the same compressed size, TAGSAM improves upon the best-performing baseline by an average of 4.9% in accuracy. Furthermore, it maintains competitive training accuracy even when the TAG is condensed to just 1% size. Our code is available at https://github.com/SundayVHan/TAGSAM
Authors: Amogh Inamdar, Matthew So, Vici Milenia, Richard Zemel
Abstract: Continual learning methods aim to maximize the stability and plasticity of machine learning models that are trained on a sequence of tasks. The standard measure of stability (i.e., forgetting) is the 0-shot performance of a model on previously learned tasks, and plasticity, the performance on the most recently learned task. However, 0-shot evaluation does not fully measure a model or method's ability to retain learned information or adapt quickly to new information, as it requires perfect recall across multiple tasks. In this paper, we propose few-shot evaluation as a more comprehensive assessment of the stability and plasticity of a continual learning system. We conduct a fine-grained assessment on task sequences for continual image classification and find that this paradigm produces novel insights into the performance of popular continual learning strategies. Through few-shot evaluation with a novel metric -- per-shot plasticity -- we show that adding `foresight' to continual learning methods via the meta-learning of a short sequence of future tasks induces learning-to-learn behavior over the task sequence.
Authors: Tommaso Cesari, Roberto Colomboni
Abstract: We study the two-action apple-tasting problem with switching costs against an oblivious adversary. In an equivalent normalized formulation, at each round the learner chooses between a revealing action and a blind action: the revealing action gives reward $0$ and reveals the hidden value $x_t\in[-1,1]$ of the blind action; the blind action gives reward $x_t$ but reveals nothing. The learner pays one unit whenever they switches actions, and regret is measured against the best fixed action in hindsight. General feedback-graph algorithms with switching costs give $\widetilde O(T^{2/3})$ regret guarantees for this problem. The two-action apple-tasting graph was the natural candidate for the missing $\Omega(T^{2/3})$ obstruction in the switching-cost classification: such a lower bound would have transferred to a large family of still-unclassified feedback graphs. We prove that this obstruction is not there: the oblivious minimax expected regret for this problem satisfies \[ \frac{1}{2\sqrt3}\cdot\sqrt T \le R_T^\star \le 2\sqrt{3}\cdot \sqrt{T}. \]
Authors: Kieran A. Murphy, Shameen Shrestha
Abstract: Feature attribution methods explain predictions by assigning importance scores to input features. Path-based methods such as Integrated Gradients are especially appealing because they satisfy \textit{completeness}: attributions sum to the change in model output between a reference state and the input. Yet most path methods define this trajectory in input space, explaining a model through pointwise perturbed inputs along a chosen path. An input-space path integrates the model's raw response at each point it passes through, with no control over the resolution at which a feature is queried; the early, baseline-adjacent part of the trajectory contributes to the explanation on equal footing with the input itself. Here, we lift path attribution from input space to a space of structured probe distributions around the example of interest, and call our method Reveal-IG. Rather than traversing raw input values, Reveal-IG progressively reveals information about the input and attributes changes in the model's expected output along this distributional path. The result is a path-attribution framework that retains completeness with respect to the expected model response, and naturally accommodates multiscale image probes and feature-wise uncertainty in tabular data. Synthetic diagnostics show that Reveal-IG avoids path artifacts that affect input-space methods, and across ImageNet classification and tabular regression it produces stable, signed attributions -- leading on metrics that use attribution sign while remaining competitive on the rest.
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: Fengbei Liu, Rachit Saluja, Sunwoo Kwak, Ruibo Wang, Ruining Deng, Heejong Kim, Johannes C. Paetzold, Mert R. Sabuncu
Abstract: Multi-objective optimization (MOO) underlies many machine learning problems, yet MOO solvers across the loss-balancing, gradient-balancing, and Pareto-based families almost universally hand their reconciled directions to Adam~\cite{kingma2015adam}. We show this coupling introduces two systematic gaps between the solver's intent and the optimizer's execution. The first is a \emph{weighting mismatch}: Adam's second-moment denominator entangles the time-varying preference vector with gradient statistics, marginalizing the preference into a history average and collapsing distinct Pareto trade-offs toward a near-uniform mixture. The second is a \emph{geometric mismatch}: Adam's adaptive metric distorts the Euclidean geometry MOO solvers assume, turning aligned objectives into apparent conflicts. To resolve both jointly, we introduce \textbf{MAdam} (Metric-Aware Multi-Objective Adam), a drop-in wrapper that leaves both solver and optimizer unchanged. MAdam preconditions the reconciled direction by the preference-conditioned curvature of the scalarized objective; on this whitened input, Adam's second moment collapses to identity, so the realized update is governed by the preference-conditioned metric. Across multi-task learning, Pareto-front recovery, physics-informed neural networks, and medical imaging, MAdam consistently improves over Adam for every solver family.
Authors: Thien Le, Tianyu Zhao, Melanie Weber
Abstract: Graph coloring seeks to assigns colors to a graph's nodes so that adjacent nodes receive different colors, using as few colors as possible. Here, we study approximate $k$-coloring, where the goal is to use at most $k$ colors while minimizing the number of monochromatic edges. This problem is central to graph theory and has applications in areas such as scheduling and resource allocation. Recent unsupervised GNN approaches optimize each instance directly, precluding generalization across graph sizes and distributions. We instead propose a contrastive learning framework that learns transferable coloring geometry where the embeddings of same-color nodes align, while adjacent nodes' representations are pushed toward distinct directions. We analyze the resulting population objective over bounded-size graphs. For unit-norm embeddings, we show that its optima have a line-prototype structure: Representations of nodes of the same color collapse to a shared one-dimensional subspace, and edges connect orthogonal subspaces. This geometry yields stationarity conditions in the supervised setting and is preserved by projected subgradient dynamics under a balanced-coloring assumption. In an unnormalized variant, gradient descent has a max-margin bias governed by a quotient-graph hard-margin problem. Experiments on synthetic and real-world graphs show that contrastive GNN encoders generalize effectively and produce low-conflict colorings, matching and sometimes improving on greedy approaches.
Authors: Xinyang Liu, Xuanyu Liang, Shiqi Ding, Boyang Li, Zhiqiang Que, Jiayang Li, Guosheng Hu
Abstract: The Forward-Forward (FF) algorithm offers a computationally efficient and biologically plausible alternative to backpropagation (BP) by training neural networks through purely local, layer-wise optimization. However, FF is inherently designed for classification via contrastive positive-negative sample pairs, and extending it to regression poses fundamental challenges: continuous target space lack natural "opposites" for contrastive learning, and the standard goodness function carries no information about target magnitude or ordering. We propose FFR (Forward-Forward for Regression), to our knowledge, the first framework to extend FF to real-world regression and demonstrate competitive performance across diverse real-world datasets. FFR introduces three key innovations: (1) an ordinal competitive goodness function that replaces contrastive pairs with competitive learning between partitioned neuron groups under distance-aware ordinal supervision; (2) a stratified ladder architecture where shallow layers learn coarse ordinal discrimination and deeper layers refine into fine-grained regression, with multi-scale feature aggregation for inter-layer collaboration; and (3) hierarchical prediction with uncertainty estimation, where multi-scale predictors jointly provide robust predictions and prediction confidence as a free-lunch. Extensive experimental results show FFR recovers on average 98.6% of BP's accuracy across five real-world regression benchmarks while reducing peak training memory to only 27% of BP's at depth 8 and 8% at depth 32, with per-iteration time around 72% of BP's, and substantially outperforms all BP-free competitors.
Authors: Ting-Yun Chang, Harvey Yiyun Fu, Deqing Fu, Chenghao Yang, Jesse Thomason, Robin Jia
Abstract: Reasoning models improve accuracy through extended chains of thought, but their long outputs create a memory and compute bottleneck. KV cache eviction methods reduce this cost by evicting unimportant key-value pairs from the cache, yet they often yield worse accuracy than selection-based sparse attention alternatives, which keep the full KV cache. We identify key factors crucial to KV cache eviction accuracy. First, a small fraction of value states have abnormally large magnitudes, and evicting them causes catastrophic failure where models enter repetitive reasoning loops. Second, introducing stochasticity during eviction improves accuracy by increasing cache diversity. Based on these findings, we propose Value-aware Stochastic KV Cache Eviction (VaSE), a training-free recipe that protects large-magnitude value states and promotes diverse eviction decisions. Across six reasoning tasks, Qwen3 models using VaSE with 4x KV cache compression yield higher average accuracies than SOTA selection method at the same sparsity, while outperforming the strongest eviction method by more than 4%. Overall, VaSE bridges the gap between efficiency and accuracy, supporting FlashAttention2 and enabling a static memory footprint for reasoning models.
Authors: Niccol\`o Perrone, Fanny Lehmann, Stefania Fresca, Filippo Gatti
Abstract: Neural operator surrogates (NO) approximate PDE solutions orders of magnitude faster than numerical solvers, but suffer from spectral bias: high-frequency content is systematically attenuated, limiting reliability where fine-scale structure matters. Sparse sensor measurements of the field are often available too, offering pointwise accuracy without spectral distortion but covering only a small fraction of the domain. We address this by treating NO predictions as auxiliary observations in a diffusion posterior sampling framework. Our method, FreqNO-DPS (https://github.com/niccoloperrone/FreqNO-DPS), combines an unconditional score-based diffusion prior, trained on high-fidelity simulations, with diffusion posterior sampling (DPS) conditioned on sparse observations and guided by a frozen neural operator. Naive integration reintroduces the surrogate's spectral bias; we resolve this with a closed-form, spectrally shaped guidance score that weights the surrogate by its frequency-dependent accuracy and needs no denoiser backpropagation. A distribution-free analysis bounds the approximation error across the frequency-diffusion-time plane and shows the guidance's frequency dependence is preserved regardless of distributional assumptions. On 3D elastic wavefield prediction at 5% and 2% sensor coverage, the method reaches near-zero spectral bias across all bands, where both the surrogate and sensor-only DPS show systematic high-frequency attenuation. Isotropic guidance, the natural baseline, improves pointwise accuracy but carries the bias into the posterior nearly intact, confirming that frequency-dependent calibration is essential, not merely beneficial. The framework needs only paired surrogate/reference data and exploits no problem-specific structure beyond the residual's approximate spectral diagonality, verifiable for new surrogates via the coherence diagnostic we provide.
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 ${\sim}56$ epochs (${\sim}4.6\times$ fewer), or ${\sim}67$ epochs (${\sim}3.8\times$ fewer) when matched to the baseline's ensemble size, and continues to improve beyond it. These gains reach cumulative ${\sim}12.9\times$ 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: Mubarak A. Ojewale, Adriana E. Chis, Jorge M. Cortes-Mendoza, Bernardo Pulido-Gaytan, Horacio Gonzalez-Velez
Abstract: Federated Learning (FL) of foundation and edge models increasingly targets deployments where client data distributions drift over time, yet existing forgetting-mitigation methods assume each client's distribution is stationary. Flashback, the strongest recent FL method against cross-client (spatial) forgetting, uses monotonically accumulating per-class label counts as a knowledge proxy; this proxy becomes miscalibrated under temporal distribution shift and anchors the global model to an outdated class balance. We formalise temporal forgetting in FL with a per-phase metric isolated from protocol-level fluctuations and propose Flashback Continual Learning (FlashbackCL), a drop-in extension of Flashback with (i) temporally-decayed label counts; (ii) a device-aware replay buffer with Class-Balanced Reservoir Sampling (CBRS); and (iii) server-side active coreset curation on the public distillation set. The results show that FlashbackCL achieves 6.9% to 10.0% relative improvement relative to Flashback, on CIFAR-10 with 50 clients and three controlled temporal shift modes, while simultaneously reducing temporal forgetting by up to 68%. A 5-variant ablation identifies CBRS replay as the critical component. FlashbackCL also improves Flashback by 3.5 points on stationary CIFAR-100, suggesting that class-balanced replay regularises spatial heterogeneity as well as temporal shift.
Authors: Anthony GX-Chen, Ankit Anand, Gheorghe Comanici, Zaheer Abbas, Eser Ayg\"un, David Smalling, Shibl Mourad, Doina Precup, Andr\'e Barreto, Mark Rowland
Abstract: Classical reinforcement learning (RL) typically seeks a deterministic policy that maximizes the expected sum of a scalar reward. Yet, modern applications such as language model fine-tuning or scientific discovery demand diversity. Existing remedies such as entropy regularization or diversity bonuses often require fragile trade-offs that sacrifice performance for stochasticity or rely on heuristic metrics that can misalign policy rankings. We argue that diversity is more naturally understood as the rational response to uncertainty in the reward. When the reward function is not perfectly known--as is the case with ambiguous preferences or imperfect reward models--committing to a single action can be sub-optimal. Building on this, we propose a fundamental reformulation of the RL objective by replacing the scalar reward with a distribution over reward functions, and applying a non-linear objective over sets of actions. The result is a framework in which calibrated behavioural diversity emerges naturally, remains controllable through the reward function distribution, and is obtained without sacrificing expected reward. Focusing on the contextual bandit setting, we derive a principled gradient estimator for this objective and prove that our formulation naturally generalizes both vanilla policy gradient and more recently developed action-set approaches. Our empirical results demonstrate that this framework offers a robust and theoretically grounded alternative for complex RL tasks where the traditional formulation of the problem fails to induce the desired breadth of agent behaviour.
Authors: Ali Behrouz, Farnoosh Hashemi, Vahab Mirrokni
Abstract: The past few decades have witnessed significant advances in the design of machine learning algorithms, from early studies on task-specific shallow models to more general deep Large Language Models (LLMs). Despite showing promising results in tasks that require instant prediction or in-context learning, existing models lack the ability to continually learn and effectively transfer their temporal in-context knowledge to their long-term parameters. Inspired by human learning process, we introduce a ''Sleep'' paradigm that allows the models to continually learn, distill their short-term fragile memories into stable long-term knowledge with replay, and recursively improve themselves with ''Dreaming'' process. In more detail, sleep consists of two stages: (1) Memory Consolidation: an upward distillation process, called Knowledge Seeding, where the memories of a smaller-self are distilled into a larger network to provide more capacity while preserving the knowledge. As a proof of concept, we present a new Generalized Distillation process for {Knowledge Seeding} (i.e., the combination of on-policy distillation with Reinforcement Learning (RL)-based imitation learning); (2) Dreaming: a self-improvement phase, where the model uses RL to generate a curriculum of synthetic data to rehearse new knowledge and refine existing capabilities without human supervision. Our experiments on long-horizon, continual learning, knowledge incorporation, and few-shot generalization tasks support the importance of the sleep stage.
Authors: Tao Chen, Gangwei Jiang, Pengyu Cheng, Siyuan Huang, Yihao Liu, Jingwei Ni, Jiaqi Guo, Mengyu Zhou, Kai Tang, Junling Liu, Qinliang Su, Xiaoxi Jiang, Guanjun Jiang
Abstract: Reward models (RMs) provide critical feedback signals for LLM post-training, notably in reinforced fine-tuning (RFT) and reinforcement learning (RL) pipelines. However, current reward evaluation relies on heterogeneous criteria such as rule-based verifiers, ground-truth references, procedural checklists, and complex rubrics, where a unified mechanism to integrate all types of evidence remains unexplored. To this end, we propose Skill Reward Model (Skill-RM), a unified framework that reformulates reward modeling as the execution of a reusable Reward-Evaluation Skill. By treating reward computation as a structured agentic task, Skill-RM provides a consistent interface to orchestrate heterogeneous resources, dynamically selecting and aggregating evidence tailored to the specific requirements of each input. This approach enables the reward model to move beyond static evaluation, ensuring consistency and transparency across diverse tasks. Extensive experiments on reward benchmarks and downstream applications, including best-of-N selection and reinforcement learning, demonstrate that Skill-RM consistently outperforms traditional judge baselines. Our findings suggest that Skill-RM not only provides a unified solution for reward modeling but also achieves superior performance through the strategic and dynamic orchestration of evidence. The code is at https://github.com/Qwen-Applications/Skill-RM.
Authors: Amil Dravid, Yasaman Bahri, Alexei A. Efros, Yossi Gandelsman
Abstract: We investigate whether neuron populations within neural networks evolve predictably with scale, extending scaling laws beyond macroscopic observables such as loss. To probe this question, we study Rosetta Neurons, a previously characterized class of neurons whose activation patterns are similar across independently trained models (Dravid et al., 2023). In separate analyses of language models up to 30B parameters and vision models up to 5B parameters, we observe that the population of Rosetta Neurons follows a sublinear power law in model size, growing in absolute number but occupying a shrinking fraction of the total neuron count. We further observe a Neuron Polarization Effect: Rosetta Neurons become more selective and increasingly monosemantic with scale, separating from a growing non-Rosetta population that remains less selective. An analytical model balancing feature utility against limited neuron capacity explains the sublinear power-law scaling and this polarization effect. Finally, we find that Rosetta Neurons become more domain-specialized with scale and illustrate their selectivity through a targeted data-filtering case study for continued pretraining. Our results point to a scaling law for interpretable, shared neuron-level structure, linking model size to systematic changes in neuron universality, selectivity, and specialization.
Authors: William Rudman, Abhishek Divekar, Kanishk Jain, Sebastian Joseph, Stella S. R. Offner, Matthew Lease, Kyle Mahowald, Greg Durrett, Junyi Jessy Li
Abstract: Fitting quantitative models to data is a central step in scientific workflows, yet it remains one of the least automated. Recent agent-based systems leverage language and vision-language models (VLMs) to iteratively propose and refine statistical models, but these systems struggle on more challenging modeling tasks. To address these limitations, we introduce VESTA: Visual Exploration with Statistical Tool Agents, a framework that equips VLMs with a dynamically growing exploration toolkit to guide model refinement through data transformations, hypothesis-driven visualizations, and robust statistical tests. Unlike prior systems that rely on iterative critique alone, VESTA actively explores data before and during refinement by selecting or creating diagnostic tools, which accumulate in the model's context and can be reused later. We evaluate VESTA against established baselines in three toolkit configurations: no tools, static expert-written tools, and dynamic model-written tools. To support this evaluation, we introduce DAWN (Dataset for Automated Workflows and Numerical Modeling), a benchmark targeting distribution fitting and time series modeling with varying difficulty tiers, and culminating in real-world astronomy tasks including modeling initial mass functions and gravitational-wave chirp signals. We find that VESTA's dynamic tool creation outperforms prior agentic pipelines, with the largest gains on complex and domain-specific tasks. We further show that dynamically generated tools are substantially more sophisticated than those produced by existing visual tool-creation systems, covering more diagnostic categories per function and strongly preferring visual outputs that the VLM critic can reason over directly.
Authors: Peiqi Li, Jie Chen, Shubin Fu
Abstract: In this paper, we study the efficient numerical solution of Darcy equations in strongly heterogeneous media with high-contrast permeability and propose a hybrid framework that combines learning with multiscale numerical methods. The learning component is used for the prediction of multiscale basis functions in the mixed generalized multiscale finite element method (mixed GMsFEM), with the goal of reducing the repeated local computations required in the offline stage. Once these basis functions are predicted, the global system is assembled and the pressure field is computed by a two-grid preconditioned solver. The resulting method accelerates the costly local basis-construction stage while retaining the multiscale discretization and preconditioned iterative structure of the underlying solver. Numerical experiments on two-dimensional heterogeneous Darcy problems show that the proposed framework yields more accurate final pressure reconstruction than several representative learning-based methods and remains stable under strong heterogeneity and high-contrast coefficients. In comparison with the traditional mixed GMsFEM, its main advantage lies in the efficiency of the basis-generation stage, while the quality of the global solve is still ensured by the two-grid preconditioner. These results indicate that accelerating multiscale basis construction through learning, while preserving a mature numerical solver for the global problem, provides a viable approach for high-resolution Darcy-type simulations.
Authors: Alejandro Ascarate, Leo Lebrat, Rodrigo Santa Cruz, Clinton Fookes, Olivier Salvado
Abstract: We study autoencoder and variational-autoencoder latent spaces through the lens of spin-glass theory. The paper has two components. First, we formalize a latent-space spin-glass dictionary: for a fixed decoder, the reconstruction term together with a hyperspherical coordinates prior induces a Hamiltonian on the latent sphere, where latent coordinates play the role of continuous spins and the prior acts as an external magnetic field. This allows us to import operational spin-glass diagnostics -- overlap distributions, susceptibility, and block-spin coarse-graining -- to detect ordered, disordered, and edge-of-stability phases in trained latent representations. Second, we show that deliberately driving the latent system toward the edge-of-stability of the topological trivialization regime has concrete downstream consequences. In generation, hyperspherical compression improves the reconstruction-generation trade-off on CIFAR-10 and CelebA64, yielding lower self-FID while preserving or improving reconstruction. In anomaly detection, the same semi-ordered latent geometry improves both fully unsupervised and conditional OOD detection, including real-world Mars Rover and Galaxy Zoo datasets, as well as CIFAR-10/100 and Imagenette-based OOD benchmarks. We therefore advocate a phase-aware evaluation paradigm for AEs/VAEs, in which spin-glass observables complement standard ML metrics and expose the latent regimes that underlie downstream success or failure in many cases.
Authors: Arafat Hossain Sayem
Abstract: Camouflaged object detection has improved substantially, but most standard benchmarks evaluate models only on clean images. This is not realistic because real cameras often capture blur, sensor noise, weather effects, and compression artifacts. We present COD10K-C, a corruption robustness benchmark based on COD10K. It includes 8 corruption types and 5 severity levels, giving 40 conditions and 81,040 evaluation pairs in total. We evaluate three popular camouflaged object detection models, SINet-v2, PFNet, and ZoomNet, as well as a lightweight model called RobustCODLite. All models show clear performance drops on corrupted images. Motion blur and Gaussian blur cause the largest drops, with SINet-v2 losing 18.5 Dice points under motion blur. Brightness and fog are less harmful. RobustCODLite uses corruption augmentation, a frequency-prior branch, and an uncertainty-consistency loss. It retains 92.3% of its clean Dice score under corruption, compared with 87.7% for SINet-v2, 84.8% for ZoomNet, and 84.1% for PFNet. On the hardest corruptions, RobustCODLite matches or outperforms models that perform better on clean data. We will release the COD10K-C GitHub repository to support future research in robust camouflaged object detection.
Authors: Yuan Yuan, Jesse Rusak, Alexander Merose, Adam Subel, Pavel Perezhogin, Alistair Adcroft, Carlos Fernandez-Granda, Laure Zanna
Abstract: Ocean general circulation models (OGCMs) are essential to climate science but computationally expensive, limiting ensemble size and forcing scenarios. Neural emulators promise orders-of-magnitude speedups, yet existing ocean emulators have not combined fine spatial resolution with multi-year autoregressive rollouts. Samudra, the first autoregressive neural ocean emulator to produce multi-decade global rollouts, is limited to $1^\circ$ resolution and exhibits two long-horizon failure modes: \emph{variance collapse}, the loss of temporal variability, and \emph{imprinting artifacts}, in which velocity patterns leak into deep-ocean fields. We present Samudra 2, which introduces a wider U-Net backbone with modified ConvNeXt-style blocks and a reduced block-internal expansion factor, together with a dynamic loss that reweights output channels according to their prediction errors, strengthening gradients for slow-evolving deep-ocean fields. At $1^\circ$, Samudra 2 increases upper-ocean global-mean temperature $R^2$ from 0.56 to 0.87 and reduces deep-ocean temperature error by roughly sevenfold. The same architecture scales to $1/2^\circ$ and $1/4^\circ$ over approximately 8-year autoregressive rollouts, recovering mesoscale eddies and sharp western boundary currents. Running on a single GPU, Samudra 2 enables larger ensembles for sea-level projections, ocean heat uptake, and climate variability studies. We provide code, documentation, and benchmark resources at https://openathena.ai/Ocean_Emulator/.
Authors: Abhishek Chandra, Taniya Kapoor
Abstract: Solving time-dependent partial differential equations (PDEs) is an important problem in computational science and engineering. Physics-informed neural networks (PINNs) learn PDE solutions from governing equations. However, accurately capturing temporal evolution remains challenging. Recent sequence-model-based approaches parameterize time evolution using general-purpose sequence models, which capture temporal dependencies but do not explicitly encode the structured dynamics of PDE solutions. In addition, their memory requirements can scale unfavorably with sequence length and resolution, limiting applicability in large-scale or high-dimensional settings. This work introduces a PINN approach that incorporates oscillatory state-space dynamics to represent the modal structure of PDE solutions. The proposed method leverages a linear-oscillator-based temporal evolution, together with a PDE-aware spectral basis in space. This design enables closed-form spatial differentiation and consistent enforcement of boundary conditions. The method is evaluated on forward, inverse, and high-dimensional PDE problems, including cases up to 100 spatial dimensions. The results show improved accuracy and reduced memory usage compared to recent sequence-model-based PINN approaches. Overall, this work highlights the benefits of incorporating structured dynamical priors into the temporal evolution of neural PDE solvers and suggests designing more physics-aligned and computationally efficient PINN architectures.
Authors: Jin Gao, Juntu Zhao, Zirui Zeng, Jiaqi Shen, Junhao Shi, Dukun Zhao, Yuming Lu, Dequan Wang
Abstract: AI for scientific discovery is entering an agentic era, where protein-engineering systems are expected to prioritize future wet-lab experiments rather than merely fit static measurements. We introduce TadA-Bench, a million-variant wet-lab replay benchmark from 31 TadA directed-evolution rounds for future-round discovery toward agentic protein engineering. TadA-Bench preserves the campaign chronology and defines a fixed-data replay task: given earlier experimental rounds, models rank variants that appear only in later rounds. It provides aligned DNA, RNA, and protein views, and uses Seq2Graph, a graph-based label-unification pipeline, to reconcile noisy enrichment measurements into consistent cross-round activity labels. Random-split controls show strong interpolation, but future-round ranking and finite-budget candidate selection are much weaker. Controlled analyses suggest that evolutionary coverage is more informative than local data density, positioning TadA-Bench as a reproducible wet-lab replay substrate for future-round discovery toward agentic protein engineering; the data and code are released on Hugging Face and GitHub.
Authors: Zixin Shi, Chen Zhao, Meiling Zhou, Kevin A. Maupin, Joyce H. Keyak, Nancy E. Lane, Kuan-Jui Su, Hui Shen, Hong-Wen Deng, Kui Zhang, Weihua Zhou
Abstract: Purpose: To compare dual-energy X-ray absorptiometry (DXA)-derived hip skeletal phenotypes in relation to hip fracture risk using prespecified confounder adjustment and to assess whether phenotypes ranked by their backdoor-adjusted average treatment effects (ATEs) improve risk stratification. Methods: We analyzed 21,098 UK Biobank participants with linked health records, hip DXA-derived skeletal measures, and prespecified covariates. Sixteen phenotypes spanning bone mineral content (BMC), bone mineral density (BMD), and T-score across hip-related regions were evaluated. Confounder selection was guided by a prespecified directed acyclic graph (DAG). Backdoor-adjusted ATEs were estimated on the absolute risk-difference scale per standard deviation (SD) increase. Effect heterogeneity was evaluated for total femur BMD, and downstream prediction was assessed using clinical variables combined with phenotypes ranked by ATE magnitude. Results: Among 21,098 participants, 115 had hip fractures. All 16 phenotypes showed negative backdoor-adjusted ATEs per SD increase. The largest ATEs were observed for total femur BMC and total femur BMD, each with a risk difference of -0.0047, corresponding to approximately 4.7 fewer hip fractures per 1,000 participants per SD higher phenotype value. Conditional effects of total femur BMD were stronger among older participants and those with lower BMI. In prediction, clinical variables plus the top 11 ATE-ranked phenotypes achieved higher AUC than FRAX with femoral neck BMD (0.842 vs. 0.709), with higher sensitivity (0.748 vs. 0.443) and similar specificity (0.793 vs. 0.777). Conclusion: DXA-derived hip skeletal phenotypes differed in their backdoor-adjusted ATEs. Phenotype-level causal evaluation may help identify informative DXA measures for risk stratification.
Authors: Zaifei Yang, Samuel Ping-Man Choi, James Kwok
Abstract: Protein-protein interactions (PPIs) are essential for many biological processes. However, existing PPI prediction approaches suffer from two major limitations: they overlook the hierarchical organization of proteins, particularly meso-scale motifs that critically regulate PPIs, and fail to effectively integrate sequence, structure, and function modalities. To address these limitations, we propose MMM-PPI, a Hierarchical Motif-based Multi-Modal protein Encoder for PPI Prediction that constructs PPI embeddings in a bottom-up multi-modal manner across three scales. At the micro-scale, we encode three modal residue features; at the meso-scale, a novel multimodal motif encoder aggregates residues into spatially-informed motif embeddings; at the macro-scale, a multimodal protein encoder integrates motifs into protein embeddings by jointly modeling motif importance and inter-modal correlations. The pre-trained encoder can be used off-the-shelf for large-scale PPI prediction. Extensive experiments on multiple PPI datasets show that MMM-PPI outperforms state-of-the-art multi-label PPI prediction models, particularly under challenging data partitions and limited data scenarios. Codes are in https://github.com/yzf-code/MMM-PPI.
Authors: Shenghao Ding
Abstract: This paper studies whether audio, images, and video can share a common wavelet token schema rather than relying on separate modality-specific latent grids. It introduces a preliminary continuous-token model built around a one-level Haar DWT/IDWT frontend, a shared coefficient-token layout, optional structural metadata, lightweight modality value adapters, and a shared token-wise encoder-decoder trunk. On Speech Commands, EuroSAT RGB, and DAVIS 2017 data, a dense shared model reaches 39.92 dB audio, 29.37 dB image, and 23.93 dB video PSNR. A matched-rate sweep under continuous latent scalar budgets indicates that the visual gains are not explained solely by latent capacity, while also showing that additive metadata embeddings are not a universal source of improvement. Finally, fixed-rate energy selection provides a strong non-parametric baseline: energy_global improves average PSNR over uniform selection by 16.73 dB for audio, 16.90 dB for images, and 15.86 dB for video under compressed keep ratios. Masked sparse training reaches 34.45 dB video PSNR with 50% of dense tokens. The results support a unified wavelet token schema and sparse token interface, while stopping short of establishing a universal discrete vocabulary.
Authors: Tyler H. McCormick
Abstract: Modern Machine Learning (ML) and Artificial Intelligence (AI) models, especially large language models (LLMs), are increasingly used to generate scientific hypotheses and mechanistic explanations from observational data. This position paper argues that in the high-dimensional proxy regimes where modern ML excels, mechanistic learning is generically underdetermined: many incompatible mechanisms induce essentially the same observational relationships on the support of the data, so predictive success and coherent explanations are insufficient evidence of mechanism discovery. This underdetermination becomes uniquely hazardous with large language models (LLMs), which tend to collapse large equivalence classes of explanations into a single fluent narrative. This paper proposes concrete standards for ``mechanistic ML,'' and argues these norms are necessary if LLM-centered workflows are to support science rather than merely simulate it.
Authors: Chenshuang Zhang, Kyeong Seon Kim, Chengxin Liu, Tae-Hyun Oh
Abstract: Despite the success of audio-visual large-language models (LLMs), they can produce plausible but ungrounded outputs, termed hallucination. Existing benchmarks focus on environmental sounds (e.g., dog barking) to indicate event occurrence. In contrast, human speech carries fundamentally different, rich semantics and temporal structures, yet it remains unexplored whether current models can accurately align speech content with corresponding visual signals. In this work, we show that speech content can induce hallucinations in audio-visual LLMs. To systematically study this, we introduce SVHalluc, the first comprehensive benchmark for evaluating speech-vision hallucination in audio-visual LLMs. Our benchmark diagnoses speech-vision hallucinations from two critical and complementary aspects: semantic and temporal. Experimental results demonstrate that state-of-the-art open-source audio-visual LLMs struggle with aligning speech content with corresponding visual signals, with a near-random accuracy on multiple tasks. In contrast, Gemini 2.5 Pro significantly outperforms the open-source models. Our analysis suggests that their failures stem from limited ability in cross-modality understanding, despite strong performance in single-modality perception. Our work uncovers a new and fundamental limitation of current audio-visual LLMs and highlights the need for speech-grounded video comprehension. Project page: https://chenshuang-zhang.github.io/projects/svhalluc/.
URLs: https://chenshuang-zhang.github.io/projects/svhalluc/.
Authors: Donghwan Lee
Abstract: Periodic target updates in Q-learning and soft target updates in actor-critic methods are empirically well established stabilization mechanisms, but their precise theoretical explanation is still incomplete. This paper gives a rigorous and exact analysis of these mechanisms for Q-learning with linear function approximation (linear Q-learning) using the exact switched linear system (SLS) dynamics induced by the Bellman maximum and the joint spectral radius (JSR) of the resulting switching matrix families. Although linear Q-learning can fail to converge in general, we prove that, under explicit spectral and step-size conditions, periodic hard target updates and soft target updates can guarantee convergence to the exact projected Q-Bellman solution. The main analysis is carried out for deterministic linear Q-learning, where the target-update mechanism is most transparent. Once the corresponding JSR certificate is established for the mean recursion, the stochastic reinforcement-learning setting can be treated by replacing deterministic modes with sampled stochastic modes and adding the corresponding stochastic-noise analysis.
Authors: Sohail Sarkar
Abstract: External regret certifies stability only against replacing one's behavior by a fixed alternative. In a quantum game, this misses a natural physical move: a player can apply a local completely positive trace-preserving (CPTP) map to the state it actually received or prepared. We introduce coherent swap regret as the regret benchmark against all such local CPTP deviations, and give an algorithm achieving $O(\sqrt{dT\log d})$ coherent swap regret via entropic mirror ascent on the CPTP Choi slice with a fixed-point play rule. The main result is a three-level deviation-class landscape. Replacement channels recover ordinary external regret at rate $\Theta(\sqrt{T\log d})$. Unital channels, including unitary deviations and mixtures of unitaries, have zero minimax regret. Deterministic measurement-and-preparation channels already force $\Omega(\sqrt{dT\log d})$ regret in the moderate-horizon regime, and this rate is also sufficient for all CPTP deviations. Thus the hardness comes from non-unital use of the recommendation register, not from quantum coherence alone. As an application, decentralized full-information learning in finite quantum games reaches an $\varepsilon$-approximate separable quantum correlated equilibrium after $T=O(\max_i d_i\log d_i/\varepsilon^2)$ rounds. We identify these equilibria with channel-proofness of mediated quantum recommendation protocols, give an SDP audit for local CPTP exploitability applicable to arbitrary finite-dimensional states, and include a probing-bandit extension with pseudo-regret $O(d^{4/3}T^{2/3}(\log d)^{1/3})$ under Haar-random pure-state probes.
Authors: Yunlong Zhou, Chen Zhao, Danyang Peng, Fanfan Ji, Xiao-Tong Yuan
Abstract: Accurate precipitation nowcasting is vital for disaster mitigation, but deep learning methods face a key trade-off: regression models produce over-smoothed, spectrally decaying predictions that blur convective details and violate turbulence power laws; diffusion models generate realistic yet unanchored hallucinations lacking physical grounding. We propose Spectral-Decoupled Iterative Refinement (SDIR), a deterministic framework that reformulates nowcasting as progressive frequency-decoupled refinement. SDIR first extracts a stable low-frequency synoptic skeleton, then iteratively refines high-frequency textures under physical constraints, eliminating both blurring and hallucinations. It features a dual-path design: the Synoptic Frequency-Guided Former (SFG-Former) with Scale-Adaptive Transformers for global structure, and the Fourier Residual Refiner (FR-Refiner) with Scale-Conditioned Fourier Neural Operators for fine residuals. A Physically Consistent Power Spectral Density (PCPSD) loss with dynamic masking enforces a turbulence-consistent spectral distribution. Experiments on three benchmarks show SDIR significantly outperforms SOTA methods in spatial accuracy while achieving spectral fidelity competitive with diffusion-based methods, enabling reliable high-resolution operational nowcasting. Code link: https://github.com/RuntimeWarning/SDIR.
Authors: Imani Beckett
Abstract: Latent state-space models are widely used to study partially observed dynamical systems, yet most formulations assume that process variability is independent of latent-state position. In many biological, behavioral, and physiological systems, however, variability may depend systematically on the underlying dynamical state, producing structured stochasticity that is not captured by constant-variance models. We introduce a state-coupled stochastic volatility framework in which latent process variance depends on displacement from a latent equilibrium. To estimate this relationship under partial observation, we develop a particle expectation-maximization procedure combining bootstrap particle filtering and backward trajectory smoothing. The model includes a coupling parameter, $\gamma$, that quantifies the strength of association between latent-state position and process variability. A large-scale simulation benchmark evaluated recovery and detection performance across varying coupling strengths, observation noise levels, trajectory lengths, and persistence regimes. The proposed framework consistently reduced recovery bias relative to an observed-state heteroskedastic proxy, with the largest improvements occurring under strong coupling. Recovery performance improved with increasing latent persistence, while detection performance remained competitive across a broad range of conditions and became increasingly advantageous as observation noise increased. Taken together, the results demonstrate that state-coupled volatility can be identified and estimated under partial observation when latent-state structure is explicitly modeled. The framework provides a practical methodological foundation for studying state-dependent variability and evaluating whether structured stochasticity contributes information about system dynamics beyond that contained in mean-state trajectories alone.
Authors: Runlin Lei, Xiaokui Xiao, Zhewei Wei
Abstract: Graphs have been used to enhance large language models (LLMs) for structured reasoning, mostly as external knowledge sources are provided to models at test time. In this paper, we take a different view: the value of graphs for LLMs lie not only in supplying information, but also in organizing reasoning. Inspired by how humans use graph-structured mind maps to organize branching and converging thoughts, we ask whether graphs can serve as an internal form of reasoning assistance. We study this question on multi-hop question answering tasks, where teacher-provided reasoning traces are rewritten as graph mind maps and used to guide a student model. Our experiments reveal a clear modality gap. When graph structures are flattened into text, their benefits become limited once direct answer hints are removed. Under this abstract guidance setting, both reasoning efficiency and answer quality degrade substantially. In contrast, visual graph guidance remains effective without direct answer clues, and its advantage persists after supervised fine-tuning and KL-based distillation. The above findings support the claim that graphs should be studied not only as external knowledge structures for LLMs, but also as visual scaffolds for organizing reasoning.
Authors: Yueh-Hua Wu, Tatsuya Matsushima, Kei Ota
Abstract: Generalization remains a central bottleneck for vision-language-action (VLA) models: under distractors, appearance shifts, and semantically similar tasks, the policy must often infer local execution details from coarse instructions while also deciding which parts of the image matter for control. We present S2 (See Less, Specify More), a framework for improving VLA generalization by training the executor under a cleaner interface. Specify More preserves the original instruction as a stable high-level goal while relabeling each trajectory into refined trajectory- and subtask-level language that disambiguates the current execution mode. Unlike native attention, See Less imposes an explicit visual evidence budget, training the executor to act from task-sufficient evidence rather than unconstrained visual context, without any region or mask annotation. This interface lets the executor follow detailed guidance without relying on distracting visual patches or resolving avoidable ambiguity on its own, and it remains compatible with off-the-shelf VLM planners through in-context learning. Across our main evaluation settings, S2 improves overall generalization metrics by changing the executor's learning problem: coarse instructions induce avoidable supervision aliasing, goal-preserving local guidance outperforms instruction replacement in our main ablations, and explicit evidence budgeting reduces dependence on broad visual context beyond efficiency considerations. Across eight real-robot tasks on TX-G2 (an AgiBot G2-compatible variant) and HSR, S2 raises mean subtask success from 54.2% to 79.0% over pi0.5. Together, these results suggest that VLA generalization improves when the executor is trained to act from informative local guidance and task-sufficient visual evidence, rather than recovering both from weak supervision.
Authors: Oliver J. Hines, Christian L. Hines
Abstract: Gradient boosted decision trees require a stopping rule to avoid overfitting. The standard rule monitors a validation loss and stops if the loss fails to improve for a fixed patience period. However, the patience parameter has no interpretable scale and validation losses can be noisy or implicitly defined by a user-specified gradient. We propose ScoreStop, a gradient-based early-stopping rule that casts the stopping decision at each iteration as a test of the null hypothesis that the current predictor is the population risk minimizer. We use a functional score test, computed on validation data, with a statistic that is scale-invariant in the update direction, with a known asymptotic distribution under the null. Because our test uses gradients rather than loss values, the same construction applies to implicit losses such as LambdaRank, and data-dependent losses such as Cox regression via influence functions. In synthetic experiments and real-data benchmarks, we show that ScoreStop is competitive with loss-based methods.
Authors: Jaehyeon Son, Junhyun Kim, Kyle Kam, Jeremiah Coholich, Seok Joon Kim, Jinhoo Kim, Chris Dongjoo Kim, Jaemin Cho, Dieter Fox, Zsolt Kira
Abstract: Vision-language-action models (VLAs) are promising general-purpose robot policies, but adapting them to new tasks typically requires costly task-specific teleoperation data. As an alternative, we study one-shot demo-conditioned VLAs, where a robot policy is conditioned on a single demonstration video of an unseen task. We find that existing end-to-end approaches often struggle when successful execution requires precisely localizing small target regions. To address this limitation, we propose SeeTraceAct, a demo-conditioned VLA framework that encourages precise spatial grounding through visibility-aware prediction of future end-effector traces. To enable reproducible evaluation with cross-embodiment demonstrations, we introduce and release RoboCasa-DC, a demo-conditioned extension of RoboCasa with episode-paired humanoid videos. Experiments on RoboCasa-DC and a real-world benchmark, where a Franka Panda arm is conditioned on human demonstrations, show that SeeTraceAct outperforms baselines, achieving the best success rate across all four RoboCasa-DC settings and improving real-world average success by 12.5 percentage points.
Authors: Michael Astwood
Abstract: We introduce Lie groupoid equivariant neural networks as a specialization of recently proposed topological category-equivariant neural networks to the differentiable setting. Lie groupoid equivariant neural networks are composed from Lie groupoid lifting convolutions and Lie groupoid convolution layers, and we show how for suitable Lie groupoids they are equivalent to certain Lie algebroid-equivariant neural networks. We additionally describe groupoid invariant global pooling as a generalization of group invariant global pooling. Furthermore, we show that each of the aforementioned layers is a special case of recently introduced admissible category-equivariant layers by demonstrating that they define continuous natural transformations between continuous feature functors.
Authors: Jiho Lee, Nisar R. Ahmed, Rebecca Russell
Abstract: Kalman filtering performance is highly sensitive to model mismatch and noise covariance tuning. Learning-based approaches address these limitations but typically rely on supervised training with large datasets and do not produce consistent uncertainty estimates. In this paper, we propose a self-supervised Hybrid Adaptive Kalman Filter that learns structured corrections to system dynamics and process noise covariance from measurements alone while preserving the probabilistic structure of the filter. This allows the innovation likelihood to be computed and subsequently used for model classification via generalized Bayesian inference. Experimental results on real-world and simulated datasets demonstrate improved estimation accuracy and statistical consistency as well as robust classification performance across both low-data and large-data scenarios.
Authors: Pratik Priyanshu
Abstract: I present EXOVEIL, a transit detection system that learns what a star's brightness should look like and flags when reality disagrees. Unlike existing systems that require phase-folded input, EXOVEIL operates on raw flux time series and can detect planets that transit only once.A Transformer world model, trained on 16,499 Kepler light curves with transit-masked self-supervised learning, predicts expected stellar flux. A matched-filter detector with variance weighting extracts transit signals from the prediction residuals. A learned classifier (XGBoost) separates planets from false positives, achieving AUC 0.938 on Kepler DR25. Applied to single-transit injection-recovery, EXOVEIL recovers 32% of transits at 1000 ppm depth a task where all classification-based systems score 0% by construction. A blind search of 3,737 Kepler stars yields 179 new transit-like signals not present in the DR25 TCE catalogue, including 46 monotransit candidates. Applied withoutretraining to 47 confirmed TESS planets in the PLATO LOPS2 field, EXOVEIL achieves 100% recovery, demonstrating zero-shot cross-mission transfer. At PLATO's 25-second cadence, detection reaches 100 ppm -- approaching the Earth-analog regime. I provide the first application of conformal prediction to transit detection (95.9% empirical coverage) and release the system as pip install exoveil with pretrained weights and a candidate catalogue.
Authors: Floriano Tori, Brecht Verbeken, Vincent Ginis
Abstract: Reconstructing the direction of incoming neutrinos in the IceCube Neutrino Observatory is an important problem in astrophysics. The public IceCube--Neutrinos in Deep Ice Kaggle competition provided 140 million simulated events to benchmark reconstruction techniques. To address this challenge from a novel perspective we introduce neutrino fingerprints compact $72 \times 72 \times 3$ images in which each pixel represents a single detector, with pulse timing and charge statistics encoded as color channels. This representation transforms sparse, irregular pulse data into dense images suitable for convolutional processing. Our ResNet18 model achieves a mean angular error of $1.10$ rad, indicating that convolutional networks trained on fingerprints rival more complex architectures while offering an effective, interpretable baseline for IceCube event reconstruction.
Authors: Aditi, Niket Agarwal, Arslan Ali, Jon Allen, Martin Antolini, Adeline Aubame, Alisson Azzolini, Junjie Bai, Maciej Bala, Yogesh Balaji, Josh Bapst, Aarti Basant, Mukesh Beladiya, Mohammad Qazim Bhat, Zaid Pervaiz Bhat, Dan Blick, Vanni Brighella, Han Cai, Tiffany Cai, Eric Cameracci, Jiaxin Cao, Yulong Cao, Mark Carlson, Carlos Casanova, Ting-Yun Chang, Yan Chang, Yu-Wei Chao, Prithvijit Chattopadhyay, Roshan Chaudhari, Chieh-Yun Chen, Junyu Chen, Ke Chen, Qizhi Chen, Wenkai Chen, Xiaotong Chen, Yu Chen, An-Chieh Cheng, Click Cheng, Xiu Chia, Jeana Choi, Chaeyeon Chung, Wenyan Cong, Yin Cui, Magdalena Dadela, Nalin Dadhich, Wenliang Dai, Joyjit Daw, Alperen Degirmenci, Rodrigo Vieira Del Monte, Robert Denomme, Sameer Dharur, Marco Di Lucca, Ke Ding, Wenhao Ding, Yifan Ding, Yuzhu Dong, Nicole Drumheller, Yilun Du, Aigul Dzhumamuratova, Aleksandr Efitorov, Hamid Eghbalzadeh, Naomi Eigbe, Imad El Hanafi, Hassan Eslami, Benedikt Falk, Jiaojiao Fan, Jim Fan, Amol Fasale, Sergiy Fefilatyev, Liang Feng, Francesco Ferroni, Sanja Fidler, Xiao Fu, Vikram Fugro, Prashant Gaikwad, TJ Galda, Katelyn Gao, Yihuai Gao, Wenhang Ge, Sreyan Ghosh, Arushi Goel, Vivek Goel, Akash Gokul, Rama Govindaraju, Jinwei Gu, Miguel Guerrero, Elfie Guo, Aryaman Gupta, Siddharth Gururani, Hugo Hadfield, Song Han, Ankur Handa, Zekun Hao, Mohammad Harrim, Ali Hassani, Nathan Hayes-Roth, Yufan He, Chris Helvig, Cyrus Hogg, Madison Huang, Michael Huang, Sophia Huang, Yufan Huang, Jacob Huffman, DeLesley Hutchins, Suneel Indupuru, Boris Ivanovic, Arihant Jain, Joel Jang, Ryan Ji, Yanan Jian, Dongfu Jiang, Jingyi Jin, Atharva Joshi, Nikhilesh Joshi, Pranjali Joshi, Jaehun Jung, Weiwei Kang, Scott Kassekert, Jan Kautz, Ashna Khetan, Julia Kiczka, Slawek Kierat, Gwanghyun Kim, Kuno Kim, Sunny Kim, Kezhi Kong, Xin Kong, Zhifeng Kong, Tomasz Kornuta, Egor Krivov, Hui Kuang, Saurav Kumar, Chia-Wen Kuo, George Kurian, Wojciech Kutak, JF Lafleche, Himangshu Lahkar, Omar Laymoun, Jayjun Lee, Sanggil Lee, Gabriele Leone, Boyi Li, Freya Li, Jiajun Li, Jinfeng Li, Ling Li, Pengcheng Li, Shangru Li, Tingle Li, Xiaolong Li, Xuan Li, Zhaoshuo Li, Zhiqi Li, Hao Liang, Maosheng Liao, Chen-Hsuan Lin, Tsung-Yi Lin, Ming-Yu Liu, Sifei Liu, Zihan Liu, Hai Loc Lu, Xiangyu Lu, Alice Luo, Ruipu Luo, Wenjie Luo, Jiangran Lyu, Martin Ding Ma, Nic Ma, Qianli Ma, Dawid Majchrowski, Louis Marcoux, Miguel Martin, Qing Miao, Ashkan Mirzaei, Shreyas Misra, Kaichun Mo, Durra Mohsin, Hyejin Moon, Pawel Morkisz, Saeid Motiian, Kirill Motkov, Seungjun Nah, Yashraj Narang, Deepak Narayanan, Thabang Ngazimbi, Julian Ouyang, David Page, Yatian Pang, Sehwi Park, Mahesh Patekar, Mostofa Patwary, Marco Pavone, Trung Pham, Wei Ping, Soha Pouya, Shrimai Prabhumoye, Varun Praveen, Delin Qu, Hesam Rabeti, Morteza Ramezanali, Marilyn Reeb, Xuanchi Ren, Kristen Rumley, Wojciech Rymer, Jun Saito, Yeongho Seol, John Shao, Piyush Shekdar, Tianwei Shen, Humphrey Shi, Min Shi, Stella Shi, Kevin Shih, Mohammad Shoeybi, Mateusz Sieniawski, Shuran Song, Alexander Sotelo, Amir Sotoodeh, Sunil Srinivasa, Vignesh Srinivasakumar, Bartosz Stefaniak, Rahul Heinrich Steiger, Shangkun Sun, Jiaxiang Tang, Shitao Tang, Yangyang Tang, Yue Tang, Tolou Tavakkoli, Kayley Ting, Krzysztof Tomala, Wei-Cheng Tseng, Jibin Varghese, Sergei Vasilev, Thomas Volk, Raju Wagwani, Roger Waleffe, Andrew Z. Wang, Boxiang Wang, Haoxiang Wang, Qiao Wang, Shihao Wang, Shijie Wang, Ting-Chun Wang, Yan Wang, Yu Wang, David Wehr, Fangyin Wei, Xinshuo Weng, Jay Zhangjie Wu, Kedi Wu, Hongchi Xia, Summer Xiao, Tianjun Xiao, Kevin Xie, Daguang Xu, Jiashu Xu, Mengyao Xu, Ruqing Xu, Xingqian Xu, Yao Xu, Dinghao Yang, Dong Yang, Hans Yang, Xiaodong Yang, Xuning Yang, Yichu Yang, Yurong You, Zhiding Yu, Hao Yuan, Simon Yuen, Xiaohui Zeng, Pengcuo Zeren, Cindy Zha, Haotian Zhang, Jenny Zhang, Jing Zhang, Liangkai Zhang, Paris Zhang, Shun Zhang, Xuanmeng Zhang, Zhizheng Zhang, Ann Zhao, Yilin Zhao, Yuliya Zhautouskaya, Charles Zhou, Fengzhe Zhou, Shilin Zhu, Yuke Zhu, Dima Zhylko, Artur Zolkowski
Abstract: We introduce Cosmos 3, a family of omnimodal world models designed to jointly process and generate language, image, video, audio, and action sequences within a unified mixture-of-transformers architecture. By supporting highly flexible input-output configurations, Cosmos 3 seamlessly unifies critical modalities for Physical AI -- effectively subsuming vision-language models, video generators, world simulators, and world-action models into a single framework. Our evaluation demonstrates that Cosmos 3 establishes a new state-of-the-art across a diverse suite of understanding and generation tasks, demonstrating omnimodal world models as scalable, general-purpose backbones for embodied agents. Our post-trained Cosmos 3 models were ranked as the best open-source Text-to-Image and Image-to-Video models by Artificial Analysis, and the best policy model by RoboArena at the time the technical report was written. To accelerate open research and deployment in Physical AI, we make our code, model checkpoints, curated synthetic datasets, and evaluation benchmark available under the Linux Foundation's OpenMDW-1.1 https://openmdw.ai/license/1-1/ License at https://github.com/nvidia/cosmos}{github.com/nvidia/cosmos and https://huggingface.co/collections/nvidia/cosmos3 . The project website is available at https://research.nvidia.com/labs/cosmos-lab/cosmos3 .
URLs: https://openmdw.ai/license/1-1/, https://github.com/nvidia/cosmos, https://huggingface.co/collections/nvidia/cosmos3, https://research.nvidia.com/labs/cosmos-lab/cosmos3
Authors: Esmaeil Shakeri, Ronnie de Souza Santos, Behrouz Far
Abstract: Deep reinforcement learning (DRL) is increasingly applied to de novo molecular design, but choices in data, rewards, and evaluation can yield uneven performance across disease areas and chemotypes. Despite this, there is no concise synthesis of how fairness is defined, measured, and tested in DRL-based drug discovery. In this rapid evidence review, we synthesize fairness definitions and metrics for DRL-driven molecule generation in healthcare. We focus on three questions: (i) how dataset composition and split strategies, especially scaffold versus random splits, affect evaluation and distribution shift; (ii) how reward design (e.g., QED, docking, toxicity, synthetic accessibility) can create or mitigate bias, with emphasis on cancer targets; and (iii) which measurable metrics best capture fairness. This includes parity across cancer versus non-cancer indications and across cancer subtypes. It also includes distributional balance in key physicochemical descriptors, scaffold/chemotype diversity, groupwise validity, toxicity, and synthetic accessibility. From 2017 onward, we searched major biomedical, computer science, and engineering literature databases and used arXiv for horizon scanning. Records were screened using PRISMA-style procedures and analyzed via content coding to link reported parity outcomes to dataset and reward choices. Our review provides a concise set of fairness definitions and metrics for DRL molecule generation. It offers practical guidance for reporting distribution parity and outcome parity. It also summarizes how dataset and reward choices relate to observed parity effects and identifies open gaps relevant to trustworthy, cancer-relevant DRL generation.
Authors: Hyunseok Seung, Matthias Katzfuss
Abstract: Gradient observations can substantially improve Gaussian process (GP) surrogates, particularly in high-dimensional settings where function evaluations are expensive. However, exact inference with $n$ function values and $n$ full gradients in $d$ dimensions scales cubically in the joint state size, imposing an intractable $\mathcal{O}(n^3 d^3)$ computational bottleneck. We introduce TERA, a highly scalable derivative GP method based on target-specific exact gradient reduction. We prove that for stationary kernels, the gradient components orthogonal to the directions connecting the target and conditioning points are conditionally independent of the target function value; consequently, the exact conditional density is fully characterized by at most $m^2$ directional derivatives once a conditioning set of size $m$ is specified. By using these reduced, dimension-free conditionals as local factors in a Vecchia approximation, TERA effectively decouples $n$ and $d$ from the dense matrix inversion. This reduces the per-target evaluation cost to $\mathcal{O}(dm^2 + m^6)$ time and $\mathcal{O}(dm^2 + m^4)$ memory, leaving the underlying derivative GP model mathematically unchanged. Empirical evaluations demonstrate that TERA achieves state-of-the-art predictive accuracy while operating orders of magnitude faster than standard derivative GPs. Crucially, both computation time and peak GPU memory remain essentially flat with respect to $d$, enabling highly scalable inference in high-dimensional spaces.
Authors: Waleed Esmail, Stuart Russell, Jana Klinge, Alexander Kappes, Christine Thomas
Abstract: Forecasting seismic waveforms beyond observed data remains challenging due to the nonlinear, dispersive, and multi-scale nature of seismic wave propagation. In this work, we introduce \textsc{SeismoGPT}, a transformer-based autoregressive model designed to forecast three-component seismic waveforms directly in the time domain. Forecasting is formulated as a physically constrained continuation problem in which the model receives waveform context beginning at the P-wave arrival and extending a defined time beyond the S-wave arrival, after which future motion is generated recursively without access to ground-truth samples. Evaluation is performed on synthetic seismograms spanning source depths of 5--100\,km, epicentral distances of 10--90$^\circ$, and magnitudes $3 \leq M_w \leq 7$. To disentangle the effects of context length and prediction horizon, we define three evaluation configurations using a distance-normalized context ratio and fixed prediction horizons of 120 and 240\,s. Across all configurations, the model achieves median normalized cross correlation above 0.93. Analysis of representative forecasts shows that successful predictions preserve both phase coherence and spectral energy distribution. Where failure cases arise, this is primarily due to gradual phase drift during autoregressive rollout rather than unphysical signal generation. These results demonstrate that transformer-based sequence models can learn stable dynamical continuation of seismic wavefields, highlighting the potential of foundation-model approaches for physics-driven time-series forecasting. There are potential applications of this methodology in seismic warning and hazard mitigation, particularly for next-generation gravitational-wave observatories, such as the Einstein Telescope.
Authors: Siva Rajesh Kasa, Yasong Dai, Sumit Negi, Hongdong Li
Abstract: Diffusion large language models promise parallel token generation, yet inference remains bottlenecked by deciding which masked tokens can be safely committed together. Fast-dLLM addressed this with KV caching and confidence-guided parallel decoding, but its decoding theory uses a homogeneous high-confidence assumption that effectively reduces each candidate set to its weakest selected token. We argue that this leaves speed on the table because real decoding steps exhibit heterogeneous confidence profiles. We propose \textbf{Fast-dLLM++}, a training-free extension that introduces \emph{Fr\'{e}chet profile decoding}: selecting parallel commit sets from the full sorted confidence profile rather than a single worst-case confidence. The resulting rule is a heterogeneous-confidence generalization of Fast-dLLM's factor selector and it recovers the previous rule exactly in the equal-confidence case and adds a provable \emph{heterogeneity bonus} when the selected tokens have uneven confidences. Fast-dLLM++ leaves the model, diffusion process, and cache implementation entirely unchanged, making it a drop-in replacement for existing Fast-dLLM decoding. Experiments on GSM8K, MATH, HumanEval, and MBPP with the LLaDA-8B model show that the theoretical improvement translates directly into empirical gains: profile-aware selection improves the accuracy--throughput frontier by exploiting safe parallelism that weakest-token rules miss, achieving up to 37\% higher throughput at comparable accuracy. Our anonymous code release is at https://github.com/Ringo-Star/FastdLLM_plusplus.
Authors: Richard Schwarzkopf, Fabian Immel, Alexander Blumberg, Jonas Merkert, Nils Rack, Kaiwen Wang, Fabian Konstantinidis, Julian Truetsch, Carlos Fernandez, Annika B\"atz, Kevin R\"osch, Marlon Steiner, Willi Poh, Yinzhe Shen, Royden Wagner, Felix Hauser, Dominik Strutz, Jaime Villa, Gleb Stepanov, Holger Caesar, \"Omer \c{S}ahin Ta\c{s}, Frank Bieder, Jan-Hendrik Pauls, Christoph Stiller
Abstract: Existing autonomous driving datasets have enabled major progress, but fall short in sensor fidelity, map completeness, or geographic diversity. We present KITScenes Multimodal, a European dataset built around high-fidelity sensors and maps. Our fully synchronized sensor suite combines high-resolution global-shutter cameras, long-range lidar beyond 400m, 4D imaging radar, and redundant GNSS/INS localization. Our HD maps are, to our knowledge, the most complete of any sensor dataset, validated through autonomous driving trials on open-source software. For the first time in a public dataset, all driving-relevant traffic elements, such as traffic lights, are mapped in 3D to a reprojection-accurate level with full topological connectivity. Recorded in cities with irregular street layouts and mixed traffic modes, our dataset complements existing datasets by broadening the available geographic diversity. We also introduce four benchmarks, each advancing spatial learning for embodied AI: online HD map construction, long-range depth estimation, novel view synthesis, and end-to-end driving. Project page: https://kitscenes.com/
URLs: https://kitscenes.com/
Authors: Chunan Shi, Yilei Chen, Yilin Chen, Xupeng Miao, Bin Cui
Abstract: Large Language Model (LLM) inference relies on key-value (KV) caches to avoid redundant attention computation. While approximate KV cache retention techniques reduce memory usage by sacrificing model accuracy, lossless approaches instead evict KV cache blocks from GPU memory and reconstruct them on demand to preserve exact outputs. Existing lossless KV cache management systems primarily base eviction decisions on access frequency or positional heuristics, without considering how different KV cache blocks affect the execution efficiency of GPU attention kernels. In this paper, we propose AsymCache, a computation-latency-aware KV cache management system for LLM inference that explicitly aligns cache residency decisions with GPU attention kernel performance, including three key components: Multi-Segment Attention (MSA) for efficient non-contiguous KV context processing, a cache eviction policy that jointly optimizes hit rate and position-aware recomputation cost, and an adaptive chunking scheduler for high hardware utilization. Experiments show that AsymCache reduces TTFT by up to 1.90-2.03x and time-per-output-token (TPOT) by 1.62-1.71x over latest baselines, confirming the effectiveness of the method in common workloads and validating its design goal of balancing computational efficiency with cache hit rate. Moreover, the low-level design of AsymCache allows seamless integration into agent serving systems such as Continuum, where it further reduces average job latency by up to 18.1%.
Authors: Maheen Arshad, Qindeel E Zahra, Muhammad Khuram Shahzad
Abstract: Human Activity Recognition (HAR) using WiFi signals has emerged as a transformative technology for smart homes, healthcare monitoring, security systems, and ambient assisted living. Unlike traditional camera-based systems that raise significant privacy concerns and fail in low-light conditions, or wearable sensors that require user compliance, WiFi-based HAR is non-intrusive, privacy-preserving, cost-effective, and works seamlessly in any lighting condition. This paper presents a comprehensive approach to recognize three distinct human activities: "No Presence" (empty room), "Walking", and "Walking + Arm-waving" using the Wallhack1.8k WiFi spectrogram dataset. We propose three key improvements to address the main challenges in WiFi-based HAR. First, to address high performance variance, we implement ensemble learning with five different CNN architectures (Deep CNN, Wide CNN, MobileNetV2, ResNet50V2, and EfficientNetB0). Second, to address the small dataset size limitation, we apply aggressive data augmentation techniques including time-warping, frequency masking, and noise addition. Third, to evaluate real-world generalization capability, we perform cross-scenario evaluation (training on Line-of-Sight and testing on Non-Line-of-Sight) and cross-antenna evaluation (training on Biquad antenna and testing on PIFA antenna). Our ensemble model achieved a test accuracy of 94.87% on the LOS scenario with Biquad antenna, outperforming the best individual model by 0.66%. Data augmentation improved Random Forest performance from 60% to 95%. Cross-scenario evaluation showed minimal accuracy drops of only 1.37% and 2.07%, demonstrating strong generalization capabilities. The results indicate that the proposed approach is robust, reliable, and suitable for real-world deployment in diverse environments with different hardware configurations.
Authors: Kathiravan Palaniappan
Abstract: The rapid growth of large language model (LLM) inference services has increased the demand for efficient multi-tenant GPU scheduling. While modern inference runtimes such as vLLM improve throughput through continuous batching and optimized memory management, accurately estimating the runtime cost of heterogeneous inference requests remains a significant challenge. In practice, observed output lengths often deviate from admission-time estimates, creating runtime token drift that can lead to workload misclassification, queue imbalance, increased tail latency, and degraded Quality-of-Service (QoS). This paper presents DriftSched, an adaptive QoS-aware scheduling framework for multi-tenant LLM inference serving on NVIDIA L4 GPUs. DriftSched combines workload classification, token-budget estimation, tenant-aware queue management, and runtime feedback-driven drift compensation to improve admission-time scheduling decisions. The framework evaluates FIFO, Priority, Weighted, Shortest-Job-First (SJF), and Aging Priority scheduling policies under heterogeneous multi-tenant workloads. Experimental results demonstrate measurable runtime token drift across workload categories. Adaptive bias correction reduces workload estimation error by an average of 38.8% (MAE) and 40.5% (RMSE), improving workload classification stability and scheduling accuracy. Among all evaluated schedulers, SJF achieves the best overall performance, reducing median end-to-end latency by approximately 42% and P99 latency by approximately 16% relative to FIFO under sustained GPU contention. The work contributes an adaptive drift-aware scheduling architecture, a runtime token-drift compensation mechanism, and a reproducible benchmarking framework for evaluating QoS-aware LLM inference scheduling on shared GPU infrastructure.
Authors: Anjun Gao, Yueyang Quan, Yufei Xia, Zhuqing Liu, Minghong Fang
Abstract: Large language models remain vulnerable to jailbreak backdoor attacks, where adversaries poison safety alignment data to embed hidden triggers that bypass safety mechanisms. Existing defenses often require comprehensive attack information or multiple triggered examples, making them impractical when defenders only observe a single reported failure case without knowing whether it stems from a backdoor attack or a natural alignment bug. This paper presents Patcher, a post-hoc defense framework that repairs backdoored language models using only a single reported failure case and the model parameters. Patcher operates in two stages. First, it localizes backdoor triggers by computing response-conditioned gradient-based saliency scores and applying adaptive clustering to separate triggers from benign context. Second, it patches the model through a constrained fine-tuning objective that breaks the trigger-response association while preserving benign-task utility and robustness to non-triggered jailbreak attacks through KL-divergence constraints. We conduct extensive evaluations across multiple backdoor attack strategies and demonstrate that Patcher successfully localizes triggers and neutralizes backdoors while maintaining model utility. We further show robustness against adaptive attacks designed to evade our defense. This work represents a significant step toward practical defenses against training-time attacks in deployed language models.
Authors: Hongju Park, Zhenyao Ye, Shuo Chen
Abstract: Modeling interactions among multimodal, high-dimensional data is intrinsically challenging due to ultra-high dimensionality and complex dependence structure with high level noise. Screening methods are effective for reducing dimensionality, but most existing approaches shrink only the predictor space while retaining all outcomes. In cross-modal analyses, different outcomes often select different predictor subsets, so the union remains large and the response dimension is unchanged, limiting the practical benefit of screening. This gives rise to heavy computational burdens and poor interpretability. To address these limitations, we propose a new screening framework, Graph Independence Dual Screening (GIDS), which simultaneously reduces the dimensionality of response variables and predictors. We design computationally efficient algorithms that facilitate downstream selection procedures, improving accuracy and scalability, and establish supporting theoretical results. Extensive simulation studies demonstrate that GIDS outperforms existing methods that screen only predictors. To illustrate its utility, we applied GIDS to the Alzheimer's Disease Neuroimaging Initiative (ADNI) dataset, analyzing interactions between genome-wide 865,353 DNA methylation and 49,386 transcriptomic variables. GIDS reduced the feature space to approximately 9,000 CpGs and 2,000 transcripts, uncovering blockwise interaction structures: clusters of CpG sites and gene transcripts with strong associations. These findings not only improve computational tractability but also yield interpretable biological insights, highlighting coordinated regulatory mechanisms underlying Alzheimer's disease.
Authors: Ting Liu
Abstract: Spiking language models expose activation sparsity that dense Transformer runtimes do not directly exploit. This paper studies that property from a systems perspective. Building on the SymbolicLight V1 spike-gated language model family, we implement a C++ CPU inference runtime that treats sparse binary spike states as an execution primitive rather than only applying post-hoc weight compression. The runtime combines a manifest-driven weight loader, mixed row/column memory layout, AVX2/FMA kernels, per-channel symmetric INT8 quantization, and integer-domain accumulation for spike-conditioned sparse paths. On an AMD Ryzen 7 5800X, an early scalar FP32 baseline decodes at 9.5 tokens/s. Mixed-layout AVX2 FP32 raises this to 14.7 tokens/s, and AVX2 INT8 reaches 19.9 tokens/s on the same step-30k export while reducing the weight footprint from 3.49 GB to 1.06 GB. For the available 186k-step 874M-parameter INT8 export, the C++ runtime decodes at 22.63 tokens/s in a single-thread CPU benchmark, compared with 16.31 tokens/s for TinyLlama-1.1B Q8_0, 11.26 tokens/s for Falcon3-1B Q8_0, and 9.70 tokens/s for Qwen2.5-1.5B Q8_0 under llama.cpp. Thread scaling reaches 47.90 tokens/s at four CPU threads, and 512-token prefill improves from 29.86 to 94.68 tokens/s from one to eight threads. The throughput result comes with a quality cost: the SNN reports WikiText-2 perplexity 24.80, worse than the dense baselines in the same benchmark. We frame the result as an inference-systems study for sparse language runtimes, with longer-term motivation in embodied and edge agents that may benefit from local, low-core inference near sensors and actuators. Spike-aware execution can improve CPU throughput and memory behavior for sparse spiking language models, while model quality, controlled dense training baselines, embodied-task evaluation, and measured CPU energy remain open problems.
Authors: Phillip Jiang
Abstract: Relational databases underpin modern enterprise, scientific, and healthcare systems, yet predictive machine learning on such data remains challenging due to their multi-table, heterogeneous, and temporal structure. Relational Deep Learning (RDL) addresses this by representing databases as heterogeneous graphs and applying graph neural networks (GNNs) directly. RelBench v2 recently introduced autocomplete tasks -- a practically motivated task type where the goal is to predict an existing column value from relational context, analogous to an intelligent form-filling assistant. We propose RelGT-AC (Relational Graph Transformer for Autocomplete), extending the RelGT architecture with three targeted contributions: (1) a column masking strategy that prevents trivial solutions by masking the target column during subgraph encoding; (2) a unified task head supporting binary classification, multiclass classification, and regression autocomplete tasks within a single model; and (3) a TF-IDF text encoder that automatically detects and encodes free-text columns, recovering strong lexical signal that categorical encoders discard. Across 7 tasks spanning 3 RelBench v2 datasets (rel-trial, rel-f1, rel-stack), RelGT-AC outperforms the GraphSAGE baseline on all 3 regression autocomplete tasks and achieves up to +10 AUROC points on text-heavy eligibility tasks via the TF-IDF encoder.
Authors: Alfreds Lapkovskis, Ali Beikmohammadi, Sindri Magn\'usson, Praveen Kumar Donta
Abstract: Emerging distributed computing paradigms, such as the computing continuum, are inherently heterogeneous, stochastic, and complex. Efficiently and effectively utilizing all available resources across the continuum demands a unified formal model of the system. To address this gap, we propose a general framework for modeling distributed computing systems as a generative Markov model, factorized over a structured system state. In our model, the state decomposes into high-dimensional variables, each further factorized over its elements, reflecting the sparse dependency structure inherent to distributed systems. This yields a tractable model enabling simulation, inference, and policy learning over otherwise intractable system states, bridging distributed computing with Markov chain theory and reinforcement learning (RL). We demonstrate our framework through a case study of collaborative AI inference, in which a dedicated server combines resources with those volunteered by service users. Our results show that centralized scheduling becomes a bottleneck at scale, while distributing computation across user devices reduces both latency and server resource consumption. These findings highlight the value of adaptive decision-making in distributed computing systems and demonstrate the framework's utility for modeling, simulation, and optimization.
Authors: Valentina Kuskova, Dmitry Zaytsev, Michael Coppedge
Abstract: A recurring data mining task in complex networks is to determine how individual nodes contribute to system behavior. Existing approaches rely on either static-graph centralities or control-theoretic quantities such as controllability Gramians, which assume linear, time-invariant dynamics. Estimated systems, however, are typically nonlinear and time-varying. We define "emergent contribution (EC)," a finite-horizon measure of a node's dynamical leverage: the metric-weighted energy of its impulse response accumulated along the system trajectory. Computed from the Jacobians of any differentiable model, EC is estimator-agnostic and reduces exactly to average controllability in the linear, time-invariant limit. Our contribution is a characterization of when the two measures agree and diverge. Using a controlled synthetic family with known ground-truth contribution, we construct a phase diagram spanning nonlinearity, regime structure, persistence, and perturbation amplitude. EC and average controllability agree under static or smoothly drifting dynamics and both track ground truth. Divergence emerges under persistent regime switching, is strongest under persistent sign reversal, and disappears when the sign reversal is removed. At extreme perturbation amplitudes, both measures degrade, identifying the limits of local linearization. We place five estimated real systems from several domains within this phase space. Their placement serves as a diagnostic of when EC provides information beyond static controllability and therefore justifies its additional computational cost. On one panel examined in depth, a twenty-seed retraining ensemble reveals a robust variance--leverage dissociation: nodes whose perturbations propagate widely despite low within-system variance, which is not recovered by static centralities nor variance-based summaries.
Authors: Aqsa Naseer, Maryam Bibi, Syeda Samiya Urooj, Muhammad Khurram Shahzad
Abstract: Generalized segmentation of medical images prevents performance degradation when different imaging devices and clinical protocols are used across multiple domains. The Whitening Transform-based Probabilistic Shape Regularization Extractor (WT-PSE), published in IEEE Transactions on Medical Imaging in 2024, addresses this challenge by employing feature decorrelation and Wasserstein distance-based knowledge distillation to achieve robust cross-domain segmentation. This study systematically examines improvements to the WT-PSE learning framework. Four limitations in the original implementation are identified: limited training augmentations that fail to simulate real scanner variations, reliance on per-pixel binary cross-entropy loss that is sensitive to edge noise, the absence of a scheduled loss weighting strategy that may destabilize early training, and the lack of ablation switches for controlled scientific comparison. To address these issues, we propose four enhancements: (1) domain-adaptive augmentation including random erasing, gamma correction, and salt-and-pepper noise; (2) a hybrid BCE and Dice loss function for improved edge-aware segmentation under noisy conditions; (3) a curriculum-based Dice weight scheduling strategy; and (4) command-line control flags for systematic ablation studies. Experiments on the fundus optic disc segmentation benchmark demonstrate that the improved pipeline achieves a final epoch optic-disc Dice score of 0.956 and an ASD score of 13.31, outperforming the baseline epoch-5 Dice score of 0.939. These results indicate that training-level improvements can provide consistent performance gains without modifying the underlying WT-PSE architecture.
Authors: Dongsheng Wang, Dawei Su, Hui Huang
Abstract: Recently, zero-shot 3D scene understanding via 2D Vision-Language Models (VLMs) has gained increasing research interest due to their promising spatial reasoning capabilities. Typically, multiple 2D views are sampled from a 3D point cloud and fed into pre-trained VLMs to answer a given question. This paradigm highlights the critical role of input context quality and raises the challenge of retaining as many task-relevant 3D details as possible under a limited input budget. We propose \texttt{KeyVT}, a hierarchical approach for input context collection at both the view and token levels. Specifically, we combine pixel features with camera parameters and assess view importance based on both semantic content and geometric position, resulting in spatially consistent and task-relevant views. Furthermore, we address redundancy among patches across selected views by identifying representative tokens under the optimal transport (OT) framework, where view tokens and key tokens are formulated as two discrete distributions in the embedding space. These key tokens are expected to cover all view features by minimizing the OT distance. We evaluate our framework on three widely used benchmarks, demonstrating significant improvements over existing tuning-free methods and performance comparable to training-based approaches.
Authors: Jingzhe Kang
Abstract: With the increasing scale and number of wind farms, wind turbines' daily operation and maintenance costs are increasing. To reduce operation and maintenance costs and enhance the reliability of wind turbine and system operation data before reaching catastrophic failures, monitoring the operating status of the equipment and detecting failures at an early stage is crucial. It is of great practical significance to utilize the working condition data for abnormal assessment of the operating status of wind turbines to realize abnormal monitoring of the operating status of wind turbines. However, the existing anomaly detection methods can neither perform effective relational modeling in data filled with a large amount of redundant information nor reasonably utilize the valuable anomaly data. For this reason, this paper proposes an anomaly detection model that fuses a Transformer and a generative adversarial network. Firstly, it reduces the leakage detection rate of minor deviation anomalies by amplifying the reconstruction error. Secondly, it uses autoregressive inference to extract multimodal features to enhance the stability and generalization ability of training. Finally, the temporal feature extraction module is constructed to promote the interactive learning between features of different time scales and effectively reduce the time redundancy. The results of multiple sets of experiments conducted on real WTG datasets show that TransGAN-WT achieves an average F1 score of 96.10% across multiple wind turbine datasets, which is 5.84% and 2.89% higher than several other state-of-the-art baseline methods. It also realizes a false positive rate (FPR) of 0.06%, and is verified by the Wilcoxon signed-rank test to have achieved a statistically significant performance enhancement compared to the state-of-the-art baseline methods, effectively ensuring the stable operation of wind turbines.
Authors: Zehua Chen, Yucheng Yang, Binjie Yuan, Kaiwen Zheng, Jun S. Liu, Jun Zhu
Abstract: Guidance methods, such as classifier-free guidance (CFG) and auto-guidance (AG), have advanced noise-to-data generation in diffusion models. Recently, bridge models have introduced a data-to-data generative process that can exploit an instructive clean prior. In this work, inspired by previous methods creating quality difference between denoising results as guidance, we propose a training-free bridge guidance method, termed Prior Guidance (PG). Specifically, we introduce a weak prior, which is unseen during bridge pre-training, hindering prior exploitation and thereby degrading denoising result. Then, we contrast it with the seen prior to highlight and enhance prior exploitation via a scaling factor. Moreover, we analyze the underlying mechanism of prior exploitation in the bridge process and design frequency-modulated prior guidance (FMPG), which tailors the guidance scale to low- and high-frequency bands coherent with bridge generative dynamics. To address prior exploitation in image in-painting, we develop a cascaded framework, CFG-FMPG, which first generates a noisy hidden representation via CFG and then exploits it as a generative prior with FMPG, fulfilling their complementary strengths without compromising inference efficiency. Experiments demonstrate that our PG methods consistently improve pre-trained bridge models across diverse image translation tasks.
Authors: Bagus Rakadyanto Oktavianto Putra, Muhamad Risqi Utama Saputra, Widyawan, Guntur Dharma Putra
Abstract: Smart contracts face critical security challenges that require thorough auditing in decentralized web services. While Large Language Models (LLMs) have shown promise in automated vulnerability detection, existing approaches lack severity evaluations with actionable remediation and demand unnecessarily massive computational overhead. In this study, we introduce an efficient end-to-end smart contract security audit framework utilizing lightweight, highly optimized open-source LLMs (0.6B-4B parameters). Our framework decouples comprehensive audit tasks into four interconnected components: vulnerability detection, explanation, severity classification, and remediation recommendation. To maintain high accuracy without massive parameters, we implement Rank-Stabilized Low-Rank Adapters (rsLoRA), knowledge distillation, and a custom Chain-of-Verification (CoVe) aggregation strategy to systematically screen and consolidate multiple draft responses from the model into a highly accurate audit report. Experimental results demonstrate that our lightweight pipeline consistently outperforms state-of-the-art open-source coder dense LLMs (7B to 34B parameters), achieving 98.25% accuracy in vulnerability detection and an alignment score of 0.4375 in generative explanation tasks. Furthermore, our extensive ablation studies empirically validate the superiority of our decoupled audit processes over unified prompting and uncover a novel severity centrality bias, establishing a critical benchmark for future research in LLM-assisted auditing.
Authors: Aarav Bedi (University of California, Berkeley)
Abstract: Imitation-learning policies for robot manipulation inherit the quality of the success labels attached to their training episodes, and those labels are usually produced by the robot's own success check. A particularly damaging error is the false success: an episode the robot logs as a success when the task outcome was actually wrong. We ask a narrow but practical question about these episodes. Once an episode has already been flagged as a success, how much of the information needed to overturn that label is present in proprioception, and how much requires vision? We build a simulated testbed on two bimanual ALOHA tasks, induce failures through environment perturbations rather than label edits, label every episode by privileged simulator state that the detector never sees, and keep only episodes the robot flagged as successful. We then compare detectors restricted to proprioception against a vision-based detector. We find that recoverability spans a wide range: in cube transfer the false successes are almost fully recoverable from joint data alone, while in peg insertion proprioception recovers only part of them and a vision detector closes most of the gap. We also show that the proprioceptive separability we measure rests on velocity differences far below any realistic sensor noise floor, so it is best read as an optimistic upper bound that a noiseless simulator inflates. We release the generation and evaluation pipeline.
Authors: Xiaoyue Duan, Nanxing Hu, Yutang Feng, Xudong Yan, Jiatao Chen, Jinchao Zhang, Jie Zhou
Abstract: Recent song generation systems can synthesize realistic audio, yet generating complete songs remains challenging for two reasons. First, explicit song-level arrangement planning remains limited in existing methods, so models often need to organize overall arrangement development while generating low-level audio details. This often leads to incoherence in arrangements, such as weak section transitions and limited dynamic progression. Second, coarse modeling of different musical parts obscures their distinct roles and interactions, limiting arrangement richness of generated songs. In this paper, we present SketchSong, a hierarchical song generation framework that addresses these issues through song-level sketch planning and fine-grained multi-track modeling. Along the temporal dimension, SketchSong first predicts a compact sequence of high-level sketch tokens derived from compressed audio representations, and then generates audio tokens conditioned on these sketches. This coarse-to-fine process gives the model an explicit arrangement plan before detailed audio generation. Along the track dimension, SketchSong explicitly models four tracks, i.e., vocals, bass, drums and other instruments. This enables the model to capture the roles and interactions of different musical parts more precisely. Experiments on song generation benchmarks show that SketchSong consistently outperforms our baseline on both objective metrics and human listening tests. Despite not employing additional post-training for preference optimization such as lyrics and text-prompt alignments, SketchSong achieves competitive results against strong, post-trained open-source systems, demonstrating the effectiveness of our overall design.
Authors: Zijing Wei, Chao Peter Yang, Xuanjie Chen
Abstract: The rise of `kidfluencers' on YouTube has raised ethical concerns about child digital labor and exploitation. While emerging legislation attempts to regulate this ecosystem, empirical evidence linking exploitation to engagement remains scarce, given the difficulty of operationalizing exploitation at scale. This study presents a multimodal AI audit of 5,051 videos across 79 kidfluencer channels, using weak supervision to detect exploitation signals without large-scale manual labels. We aggregate noisy labeling functions -- including LLM-based classification of titles and GPT-4 Vision analysis of thumbnails and descriptions across six literature-grounded dimensions -- to assign a probabilistic exploitation score to each video. A multi-annotator validation study (N=107) shows strong agreement with human judgment (macro-average F1 $= 0.911$) and high sensitivity for overall exploitation risk (recall $= 0.960$, F1 $= 0.793$). Our findings reveal a significant engagement premium for performative labor, emotional bait, and privacy violations. Exploitation scores correlate with view counts (Spearman $\rho = 0.229$, $p < 10^{-50}$), and mixed-effects regression controlling for channel-level variation shows that a one-unit increase in exploitation score yields a $4.4\times$ increase in views ($p < 0.001$). Within-channel analyses indicate median view boosts of $+65.6\%$ for emotional bait and $+56.0\%$ for performative content (FDR-corrected $p<0.001$), with effects holding in same-year robustness checks ($p=0.030$). Explicit commercial content (product placement), by contrast, shows no premium ($-3.8\%$, n.s.), suggesting the platform rewards commodification of the child's identity and labor over traditional advertising. These findings challenge policy frameworks focused solely on financial trusts, showing that engagement is systematically tied to the intensive, performative labor of children.
Authors: Jonggwon Park, Seongeun Lee, Junhyun Park, Hannah Yun, Hyunwoong Kim, Sohyun Jeong, Hyewon Kang, Byungmu Yoon, Kyoyun Choi
Abstract: Vision-language models (VLMs) for radiology have emerged as a scalable paradigm by leveraging image-report pairs naturally produced in clinical workflows. However, this pairing reveals a mismatch in scale: each finding occupies only a small region of the image, yet supervision is provided only at the global image-report level. This poses a central challenge: prior approaches spread weight densely across all patches rather than concentrating on the sparse subset relevant to a given query. To address this, we present GLINT (Gated Language-Image alignmeNT), a framework that explicitly models this sparse correspondence. On the alignment side, we introduce Sparsely Gated Alignment, a novel architecture in which a sigmoid gate over a separate gate embedding space activates only the patches relevant to each textual query, enforcing explicit sparsity. On the representation side, we add Dense Feature Regularization, which anchors the trainable encoder's intermediate features to a frozen self-supervised learning (SSL) teacher, preserving the fine-grained patch features that the gate relies on. The same recipe applies to both 2D chest X-ray (CXR) and 3D chest computed tomography (CT), built with DINOv3 and V-JEPA 2.1, respectively. GLINT enables zero-shot classification, grounding, and segmentation from free-text queries, and to our knowledge is the first to demonstrate zero-shot segmentation on 3D CT volumes without mask supervision. Notably, the most pronounced gains arise on zero-shot grounding and segmentation, where sparse, query-specific localization is required, consistent with our design intent. In downstream evaluation, GLINT outperforms both SSL encoders and medical VLMs on classification, report generation, and segmentation.
Authors: Jiaze Sun, Kelvin J. L. Koa, Ruiyang Ni, Yize Liu, Haonan Chen, Ke-Wei Huang
Abstract: Financial forecasting is difficult due to low signal-to-noise ratios, latent factors, heavy tails, regime shifts, and jumps. Real-world benchmarks offer limited failure attribution: researchers can observe underperformance, but often cannot isolate why because mechanisms are unobservable and entangled. Real financial data reveal only one realized path, making it difficult to assess tail-risk calibration or data efficiency. We introduce FinStressTS, a mechanism-aware synthetic benchmark that links model behavior to controlled structural causes. FinStressTS comprises 30 diagnostic environments around six mechanism families: volatility clustering, multi-scale persistence, heavy-tailed shocks, regime switching, self-exciting jumps, and zero-inflated processes. We evaluate two tasks: point forecasting, using NMAE across five settings, and probabilistic forecasting, using CRPS under known data-generating mechanisms. We benchmark 15 models, from classical methods (HAR, VAR) to Transformer forecasters (PatchTST, iTransformer) and deep probabilistic architectures (DeepAR, TSFlow), and use learning curves to measure sample efficiency. Our evaluation reveals three insights. First, performance is mechanism-dependent: autoregressive and linear models are highly competitive, and often outperform Transformer-based models, in several volatility-, tail-, and jump-driven environments. Second, distributional alignment matters: parametric probabilistic models such as DeepAR calibrate well in stationary settings, while flexible models can help when distributions become multimodal or sparse. Third, neural models often require more data to match simple baselines, with larger gains mainly when learning latent regimes or complex distributions. FinStressTS provides an open framework for diagnosing failure modes and advancing risk-aware forecasting.
Authors: Yongjin Choi, Hyeonbin Moon, Seunghwa Ryu
Abstract: Automatic-differentiation-based inverse analysis methods, including physics-informed neural networks (PINNs) and differentiable programming, have recently shown great promise due to their ability to compute accurate gradients and convergence efficiency. However, their applicability to falling weight deflectometer (FWD) backcalculation remains unexplored. This study critically evaluates PINN-based inverse analysis for a multilayer pavement system and investigates differentiable finite element method (DiffFEM) as an alternative based on a synthetic benchmark. The standard PINN does not recover layer moduli because of the sharp domain discontinuities inherent to layered pavement systems. Although we use an extended PINN with domain decomposition (XPINN), which shows better performance on discontinuous domains, its performance remains highly sensitive to loss weighting and network architecture, and degrades under measurement noise. By contrast, DiffFEM consistently achieves more accurate, stable, and computationally efficient inversion results. These results indicate that DiffFEM, which enforces the governing physics as a hard constraint, yields better accuracy, robustness, and computational efficiency than PINN-based approaches, in which the governing physics is imposed as a soft constraint through the loss function. More broadly, the findings suggest that the choice between PINN- and DiffFEM-based inverse analysis needs careful consideration, with DiffFEM offering practical advantages when an efficient and robust differentiable forward solver is available.
Authors: Ralf Raumanns, Gerard Schouten, Veronika Cheplygina, Josien P. W. Pluim
Abstract: In this study, we evaluate the performance of skin lesion classification using ResNet-based convolutional models, focusing on the impact of demographic bias in training data, particularly variations in patient sex and age. We use linear programming to generate datasets with controlled demographic characteristics, allowing systematic investigation of bias effects. Three learning strategies are evaluated: a single-task model, a reinforcing multi-task model, and an adversarial learning scheme. Our sex-based analysis indicates that sex-specific training datasets optimise model performance. Notably, including male patients in the training data improved performance for the male subgroup, even in female-majority cases. Reinforcing and adversarial learning schemes narrowed or eliminated bias gaps in balanced and female-majority datasets. However, these strategies proved less effective in male-majority settings, where models continued to perform better for males than females. The two learning schemes showed marginal bias reduction compared to the baseline model in predominantly male patient populations. Age-based analysis demonstrates comparable baseline performance across the three model approaches, with performance declining across age categories. Younger groups consistently achieve the highest performance, regardless of training data distribution. Although balanced training yields optimal results for the youngest age category, performance decreases in older categories. We find that sex biases arise mainly from data imbalances, while age biases consistently favour younger groups regardless of distribution. These distinct mechanisms require targeted mitigation strategies. Additionally, cross-dataset validation on two external datasets revealed that domain shifts notably affect performance and patterns of demographic bias.
Authors: Kaito Takanami, Cengiz Pehlevan
Abstract: Chain-of-thought (CoT) reasoning has become a widely used mechanism for eliciting multi-step reasoning in large language models by generating intermediate reasoning steps at inference time. Yet the scaling behavior of generalization with CoT depth remains poorly understood. To address this question, we study a theoretically solvable model of CoT for in-context weight prediction in linear regression, where test-time reasoning is represented as an iterative refinement of the weight-parameter estimate. Using tools from random matrix theory under high-dimensional asymptotics, we derive an exact formula for the generalization error as a function of reasoning depth, pretraining data amount, and context length. Our analysis reveals a sharp phase transition separating exponential and polynomial improvement, saturation, and overthinking, and characterizes how the optimal reasoning depth scales. We further show that deeper reasoning is most effective with sufficiently rich pretraining and in-context information, whereas limited pretraining or context makes longer reasoning prone to error amplification or saturation. We also validate these predictions through experiments on fully learned linear attention and softmax attention models. Our results provide a unified theoretical account of how test-time CoT depth affects generalization.
Authors: Anuj Tiwari, Oluwapelumi Ogunremu, Terry Oko-odion, Jesujuwon Egbewale, Hannah Nwokocha
Abstract: African languages have very little labelled data, and it is unclear if augmenting the quantity of annotation data reliably enhances downstream performance. The study is a systematic sample-size scaling study of natural language inference (NLI) on 16 African languages based on the AfriXNLI benchmark. Under controlled conditions, two multilingual transformer models with roughly 0.6B parameters XLM-R Large fine-tuned on XNLI and AfroXLM-R Large are tested on sample sizes of between 50 and 500 labeled examples and average their results across random subsampling runs. As opposed to the usual belief of monotonic increase with increased data, we find a strongly language sensitive and often non-monotonic scaling behavior. Some languages show early saturation or decrease in performance with sample size as well as high variance in low resource regimes. These results indicate that the volume of data is not enough to guarantee stable profits to African NLI, creating the necessity of language sensitive datasets creation and stronger multi-lingual modelling strategies.
Authors: Rakshit S Trivedi, Natasha Jaques, Logan Cross, Alexander Sasha Vezhnevets, Joel Z Leibo
Abstract: AI's central challenge is shifting from capability to coexistence. The dominant paradigm in AI research focuses on developing powerful agents that treat the world as an exogenous and stationary source of feedback. We contend that superintelligence, an extremely capable task solver, born out of such a solipsistic approach to AI design, is unlikely to be cooperative. Deploying AI systems induces endogenous non-stationarity, resulting in a train-test-deploy gap where historical distributions diverge from the deployment context. We refer to this as the self-undermining property of unilateral optimization. Closing this gap requires AI that participates in cooperation: the equilibrium-selection process through which multiple actors navigate their interdependence. We call for a non-solipsistic research paradigm that treats this interdependence as a core design principle rather than approaching cooperation as a task to solve. This entails building dynamic evaluation testbeds involving adaptive counterparties, treating institutions as design primitives, and preserving human agency as a structural feature of the systems we build.
Authors: Johannes Resin, Lu Yang, Tilmann Gneiting
Abstract: Concepts of calibration formalize the compatibility between probabilistic predictions and the respective outcomes. In a nutshell, the outcomes ought to be indistinguishable from random draws from the predictive distributions. In this paper, we review, extend, and bridge notions of calibration that have been proposed for classification and regression tasks. Particular emphasis is given to hierarchical relations between the various notions, as they apply to general real-valued data, continuous outcomes, count data, nominal classes, and binary outcomes. To highlight a number of contributions, we introduce the notion of modal calibration for nominal outcomes, we distinguish full, partial, and average calibration in this setting, and we show that double probability integral transform (PIT) calibration is logically independent of previously proposed concepts of calibration for discrete outcomes. Furthermore, we generalize extant results on concepts of calibration that are expressed in terms of properties or functionals of the predictive distributions, such as means, quantiles, or event probabilities. Throughout the paper, we illustrate the concepts and their hierarchical relations in worked examples, and we provide algorithmic tools that support the construction of instructive examples and counterexamples.
Authors: Gautam Gare, John Galeotti, Michael Mozer, Deva Ramanan, Nan Rosemary Ke
Abstract: In nature, events that affect some individuals or groups but not others constitute an implicit intervention and are known as natural experiments. For example, the COVID-19 pandemic was an intervention by the coronavirus on the sub-population infected with COVID. We ask, do natural experiments occur in existing real-world datasets? If yes, how should we treat them? To detect natural experiments in data, we use causal discovery to recover the underlying causal graph and perform feature selection based on causal links. If downstream performance improves by treating the data as interventional rather than observational, we argue that this suggests the dataset contains natural experiments. We first validate this hypothesis by simulating datasets with and without natural experiments using synthetic graphs. We then perform a systematic empirical evaluation on a large suite of real-world datasets. Our results indicate that real-world datasets do contain natural experiments and we can take advantage of those natural experiments to improve model performance using causal inference. Our work represents the initial foray into this area, offering a preliminary exploration within a limited scope.
Authors: Rachmad Vidya Wicaksana Putra, Achyuta Muthuvelan, Alberto Marchisio, Muhammad Shafique
Abstract: Spiking Vision Transformer (SViT) models are promising low-power ViT models for solving vision-based tasks with state-of-the-art performance. However, their large sizes limit their deployments for resource-constrained embedded platforms, underscoring the needs of model compression. One of prominent compression techniques is pruning, and the state-of-the-art works employ unstructured pruning techniques to compress SViT models. Such techniques require specialized hardware architectures tailored for the sparsity patterns to maximize their efficiency benefits, making this approach not scalable. To address this, we propose PSViT, a novel methodology to perform structured pruning on SViT models, hence making it possible to efficiently accelerate their inference using the existing and widely-used computing architectures. To do this, PSViT employs several key steps: uniform channel-wise filter pruning to structurally eliminate the non-significant weights, sensitivity analysis to evaluate the impact of channel-wise pruning of individual layer on accuracy and network size, as well as fine-grained channel-wise pruning based on the sensitivity analysis and the given network architecture. Experimental results show that PSViT effectively obtains 22.4% memory saving through single-shot pruning, while maintaining high accuracy within 3% (70.3% without fine-tuning and 72.8% with fine-tuning) from the original non-pruned SViT model (73.3%) on the ImageNet-1K. These results also show that the PSViT methodology advances the effort in enabling efficient SViT deployments on resource-constrained applications.
Authors: Pablo Garc\'ia-Santaclara, Bruno Fern\'andez-Castro, Rebeca Pilar D\'iaz-Redondo
Abstract: Many systems used in real-world environments require adding new categories and incorporating new information without forgetting what was previously learnt by the classification model. This is known as class-incremental continual learning, and in the case of multivariate time-series, is further complicated by the temporal structure of the data. In this paper, we present a novel approach for performing class incremental continual learning for the classification of multivariate time series data based upon the construction of a dual-stream feature extraction pipeline (using both deep temporal embedding features generated via a pre-trained frozen foundation model and application of statistical features). Evaluated on five benchmark datasets, the proposed system achieves competitive average accuracy across all datasets while maintaining low forgetting rates across all experimental configurations.
Authors: Anuj Tiwari, Terry Oko-odion, Hannah Nwokocha
Abstract: Large language models (LLMs) are increasingly evaluated in multilingual settings, yet their inference behavior in low-resource African languages remains underexplored especially under pure prompting without fine-tuning. We present a systematic study of prompting strategies for Natural Language Inference (NLI) in Swahili, Yoruba, and Hausa using the AfriXNLI benchmark. We evaluate five prompting strategies Baseline (zero-shot), Script-Aware, Language Specific, Contrastive, and Native-Label Self-Translation (NL-STP) across two mid-sized open weight models (Llama3.2-3B and Gemma3-4B). To isolate the effect of prompt design, the effect of few-shot examples and Chain-of-Thought reasoning is eliminated in our study. We find a significant difference in performance of class wise across strategies with highly neutral class collapse and high prediction skew in some configurations. Contrastive prompting proves to be the most reliable and steadily improving strategy over language and model and has better balance of class behavior and balance of overall accuracy gains. Notably, well-constructed prompts are sufficient to beat more powerful baselines that are provided with few-shot prompts and Chain-of-Thought prompts. We have found that prompt formulation is essential to multilingual NLI with low-resource languages and that language aware decision structuring can be used to meaningfully enhance robustness in resource challenged settings.
Authors: Pritam Kadasi, Anuj Tiwari, Mayank Singh
Abstract: Our submission presented in this paper is for SemEval-2026 Task 9: Multilingual Text Classification Challenge - Polarization Detection and it covers all three subtasks: (1) binary polarization detection, (2) polarization type classification and (3) polarization manifestation identification. We adopt a systematic approach of research on short designed prompts by considering twelve designed prompts that are different in terminology clarity, detail of the definition, guidance of reasoning and in-context examples use. The experiments are conducted using aya-101 and Gemma3-27B, with the latter chosen for the submission at the end of the development through performance considerations. Our system has an average macro level F1-score of 0.762 on Subtask 1, 0.587 on Subtask 2 and 0.444 on Subtask 3 with the average accuracy of 0.819, 0.678 and 0.498, respectively, on the official test set averaged among 22 languages, respectively. With cross-task and cross-lingual analysis, we demonstrate that prompt-based approaches can be used effectively to detect coarse grained polarization but encounter more and more difficulties as far as fine-grained and multi-label sociolinguistic classification is concerned.
Authors: Jinghuai Zhang, Yetian He, Kunlin Cai, Han Zhao, Fnu Suya, Yuan Tian
Abstract: Model merging composes specialized capabilities into a single LLM by aggregating task vectors sourced from unverified public platforms, exposing a critical supply-chain attack surface: Because any malicious behavior can be encoded into a task vector, and merging grants third-party vectors direct write access to model weights, an attacker-provided task vector can enable or amplify diverse downstream threats. Prior work studies only backdoor attacks against model merging for classifiers using static arithmetic heuristics, which fail to effectively handle diverse attacks on generative LLMs for three reasons. (i) LLMs rely on autoregressive decoding, where the minor parameter drift introduced by merging compounds across tokens and rapidly degrades the attack. (ii) Attackers have no knowledge of the victim's merging configurations, causing a static attack vector optimized in isolation to be easily diluted or destroyed. (iii) Practical threat induction must generalize to attack prompts unseen during optimization, which static vectors cannot adequately encode. We present RogueMerge, the first principled, unified framework that addresses all three challenges. To handle autoregressive generation, we replace static arithmetic with a joint optimization that explicitly enforces attack success after merging. To handle unknown merging settings, we formulate attack injection as a stochastic min-max problem and solve it via meta-learning-style simulation. To generalize across heterogeneous attack prompts, we employ distributionally robust optimization and derive a tractable first-order Taylor approximation at LLM scale, with a provable error bound. Across four threats, six merging algorithms, and over 170 merged LLMs, RogueMerge consistently outperforms existing attacks. It also remains stable across diverse merging settings and resists standard defenses.
Authors: Daniil Krasnoproshin, Maxim Vashkevich
Abstract: Speech emotion recognition is an important component of modern human-computer interaction systems. However, many state-of-the-art approaches rely on large pretrained models with high computational and memory requirements, limiting their applicability. This paper proposes ResLSTM-SA, a lightweight architecture that integrates residual connections with soft attention within an LSTM-based framework. Evaluated on the RAVDESS dataset under strict speaker-independent partitioning, the proposed model outperforms conventional attention-based LSTM baselines and several previously reported CNN- and hybrid CNN-LSTM architectures in terms of unweighted average recall (UAR). The best-performing variant (ResLSTM-SA-h64) achieves a maximum UAR of 0.6517 with only 46.8k trainable parameters, delivering competitive accuracy with three orders of magnitude fewer parameters than large-scale self-supervised alternatives, thereby enabling efficient deployment on edge devices and real-time voice assistants. The source code is available at https://github.com/Mak-Sim/ResLSTM-SER.
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\textsuperscript{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\textsuperscript{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\textsuperscript{2}-DPO in addressing perceptual bottleneck in attended regions and improving Visual Robustness against degraded inputs.
Authors: Rachmad Vidya Wicaksana Putra, Achyuta Muthuvelan, Alberto Marchisio, Muhammad Shafique
Abstract: The large sizes of Spiking Vision Transformers (SViTs) still hinder their embedded implementation, highlighting the need for model compression. State-of-the-art works compress SViT models through unstructured pruning, which needs specialized hardware accelerators for their specific sparsity patterns to maximize efficiency gains. Moreover, their manual approach requires a huge design time to find an appropriate pruning setting for each network, thus making this approach not scalable. To address this limitation, we propose PrimeSVT, a novel framework that performs automated memory-aware structured pruning on pre-trained SViT models, thereby maximizing their efficiency gains during inference amenable to widely-used computing architectures. To achieve this, PrimeSVT first sorts the SViT layers based on their sizes (i.e., number of parameters), identifies the targeted pruning layers based on their robustness under different pruning rates, then leverages this order for compressing the model layer-by-layer sequentially from the largest one to the smallest one (i.e., so-called prioritized compression policy), while considering the user-defined constraints (i.e., acceptable accuracy and memory saving). In each layer, PrimeSVT employs channel-wise filter pruning based on their L2-norm values to structurally remove the non-significant weights. Experimental results show that PrimeSVT saves 26.68% memory through automated single-shot pruning, while preserving accuracy within 3% (70.3% without fine-tuning and 72.9% with fine-tuning) from the original unpruned SViT model (73.3%), thus meeting the accuracy and memory constraints. These show that our PrimeSVT framework enables design automation for SViTs and their embedded implementation.
Authors: Raja Khurram Shahzad, Muhammad Mustaqeem, Haroon Elahi
Abstract: The number of malware (either variant or novel) is rapidly increasing, making malware detection and mitigation a complex problem. One approach to improving malware mitigation is automatic detection and malware family classification. However, traditional malware detection methods cannot classify detected malware into their respective families, hindering effective malware mitigation. Consequently, this paper proposes a method to automate malware detection and classification of the detected malware into respective malware families. The proposed method uses feature fusion after extracting relevant malware features such as API calls and fixed and variable length n-grams with a customized feature selection method. Moreover, for the predictive model, a voting based approach is proposed for algorithm fusion. For the experimental evaluation of the proposed method, both binary and multi-class classification approaches are applied to the data set provided by Microsoft. Finally, the experimental results are compared with the state of the art. The experimental results indicate the effectiveness and efficiency of the proposed approach with an AUC of 0.989, accuracy of 99.72%, and a log loss of 0.01.
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: Utku \c{S}irin, Cathy Hou, David Alvarez-Melis, Stratos Idreos
Abstract: Neural networks suffer from shortcut learning, where learned features generalize well to the training set but not to in-distribution (ID) or out-of-distribution (OOD) test sets. Existing studies are all based on a few standard benchmarks, which are shape-driven. Numerous application domains, however, are texture-driven. In this work, we present shortcut learning analysis for texture-driven domains, and compare it with that of a standard benchmark. We show that texture-driven domains suffer from low-frequency shortcuts. They make the majority of their decisions based on a few low-frequency components (LFCs) with a skewed spectral behavior, despite that their classification information is in higher-frequency, fine-grained details. Pruning LFCs from training and test sets eliminates the shortcut and provides a more balanced spectral behavior, improving the ID accuracy by up to 8%. We show that low-frequency shortcuts make the models highly vulnerable to OOD corruptions, leading up to 70% accuracy drop compared to the ID accuracy. Pruning LFCs significantly improves robustness to low-frequency corruptions, by up to 40%, and introduces a trade-off for high-frequency corruptions; the balanced spectral behavior provides a better generalization performance, whereas the increased dependence on high-frequency features reduces it. OOD accuracy depends on the interaction between these two factors.
Authors: Natansh Mathur, Panagiotis Kl. Barkoutsos, Masako Yamada, Martin Roetteler, Iordanis Kerenidis
Abstract: Training quantum neural networks (QNNs) on quantum hardware is currently bottlenecked by the cost of gradient estimation: standard parameter-shift methods require a number of circuit evaluations that grows quadratically with the number of trainable parameters, making hardware-based optimisation impractical beyond small system sizes. In this work, we introduce a training framework that reduces this cost to logarithmic in the number of qubits, making gradient-based QNN optimisation feasible on near-term hardware at increasing scales. Our framework combines three co-designed ingredients: (i) a structured, subspace-preserving Butterfly circuit architecture with $O(n \log n)$ parameters and logarithmic depth; (ii) a layer-wise training strategy that confines on-hardware optimisation to one small, well-structured layer at a time; and (iii) a parallelised parameter-shift rule that exploits the commuting structure within each Butterfly layer to extract all gradients in a constant number of circuit executions. Together these reduce the number of distinct circuit evaluations per optimisation step from $O(n^2)$ to $O(\log n)$. We validate the framework on clinical data imputation using the MIMIC-III electronic health record dataset, a demanding benchmark sensitive to optimisation instability and model variance. Hybrid classical-quantum models are trained directly on IonQ Forte Enterprise trapped-ion hardware at 16 qubits without performance degradation relative to ideal or noisy simulation and via tensor-network simulation at 32 qubits, with 32-qubit inference executed on hardware. The resulting models match or exceed strong classical neural baselines in downstream patient survival prediction while exhibiting reduced variance across runs, demonstrating that the proposed framework enables practical, scalable QNN training under realistic hardware constraints.
Authors: Peter Williams, Adam Sobey, Erisa Karafili
Abstract: Early attribution of Advanced Persistent Threat (APT) activity can help defenders prioritise investigation, select countermeasures, and reduce the impact of an intrusion. Malware provides useful attribution evidence, but automated APT malware attribution remains difficult in practice. Existing approaches are typically trained and evaluated as closed-set classifiers over a limited number of known APT groups. In operational environments, however, classifiers are likely to encounter samples from groups not represented during training. Closed-set classifiers are then forced to assign such samples to known groups, producing unsupported and potentially misleading attributions. We present a high-precision APT malware attribution method based on ranked binary classifiers with explicit abstention. Rather than training a single multi-class classifier, our approach trains and tunes two binary classifiers per APT group, ranks the classifiers by validation performance, and applies them sequentially. A sample is attributed only when a classifier provides sufficient evidence; otherwise, it abstains. We evaluate the method on the APT Malware dataset and on a larger combined dataset designed to stress-test out-of-scope behaviour. On the APT Malware dataset, the method achieves higher precision than previously published results on the same dataset. In the most challenging setting, where 87% of test samples came from 60 APT groups excluded from training, the method abstained on 94% of out-of-scope samples while maintaining 92% precision and 95% selective accuracy on the samples it classified.
Authors: David V\"avinggren, Francis Bach, Andr\'e M. H. Teixeira, Dave Zachariah, Ant\^onio H. Ribeiro
Abstract: While principal component analysis (PCA) is a fundamental tool for dimensionality reduction, its dense representations make it ill-suited for high-dimensional data. Existing methods address this by promoting sparsity through explicit $\ell_1$-penalties, but these are not obvious to tune due to the unsupervised nature of the task. In contrast, we propose Adversarial PCA (AdvPCA), which leverages robust optimization to achieve sparsity by optimizing the reconstruction objective against bounded, worst-case latent space perturbations. We show that this formulation admits a closed-form reduction, leading to a practical iterative algorithm that alternates between adversarial linear regression-style updates for the sparse encoder and orthogonal updates for the decoder. By theoretically characterizing the solution, we derive a data-adaptive parameterization that allows the algorithm to perform effectively out of the box. We validate these claims through numerical experiments on synthetic and real-world genomics data.
Authors: Timo Osterburg, Stefan Sch\"utte, Torsten Bertram
Abstract: Post-processing is a critical stage in LiDAR-based 3D object detection, where dense and overlapping proposals must be filtered for compact and reliable perception. This work introduces two learned filtering modules that replace heuristic non-maximum suppression (NMS) by leveraging relations among detections. D2D-Rescore employs transformer-based detection-to-detection (D2D) attention, while GossipNet3D adapts the 2D GossipNet concept to 3D through localized message passing in bird's-eye view. A metric-aware matching strategy aligned with the nuScenes evaluation protocol ensures consistent training and validation behavior, improving overall detection performance. Both approaches improve mean average precision (mAP), nuScenes detection score (NDS), and true positive quality compared to CircleNMS, particularly for small and infrequent classes, while adding minimal computational overhead. These results demonstrate that learned, detection-level filtering can enhance 3D detector reliability without modifying the base network, offering a principled alternative to heuristic suppression. Code is available at https://github.com/rst-tu-dortmund/learned-3d-nms .
Authors: Qingye Tang, Dechao An, Haoran Peng, Yuqi Ouyang
Abstract: This work proposes a novel solution to predict pulsar timing residuals with limited data, addressing the critical challenge of data scarcity across spin-frequency subgroups of millisecond pulsars in PTA datasets. The proposed solution applies a Long Short-Term Memory (LSTM) network optimized using the model-agnostic meta-learning algorithm, enabling rapid adaptation to new frequency domain by fine-tuning the LSTM network with only a few-shot of ground truth timing residuals. Particle swarm optimization algorithm is also used for automatic hyperparameter optimization, leading to improved prediction accuracy. Our solution, evaluated on the second data release of the International Pulsar Timing Array (IPTA), demonstrates robust generalization with accurate predictions in three metrics across high-frequency test frequency domains, while requiring only 10% of the timing residuals from these domains for model fine-tuning. Furthermore, our lightweight structure only costs 16.86 MB CPU memory and 18 milliseconds for single-step residual prediction. All these characteristics make our solution highly suitable for real-world applications, where effective and real-time predictions of pulsar timing residuals are essential-particularly in resource-constrained environments with limited computational power, memory, or energy availability.
Authors: Nabil Alami, Jad Zakharia, Souhaib Ben Taieb
Abstract: Standard conformal prediction (CP) procedures are typically formulated in terms of p-values, but reliance on p-values alone limits flexibility, for example, when combining dependent evidence across models or data splits. Recent work has explored e-value formulations for conformal inference, yet a direct connection between p- and e-value formulations in CP has been missing, especially regarding their statistical efficiency. We first identify limitations of classical p-to-e calibrators in the CP setting, showing that they are not set-preserving and can lead to overly conservative prediction sets. To address this, we propose a novel P2E calibrator that converts conformal p-values into e-values without altering the prediction set induced by the original conformal p-value. We establish both theoretically and empirically that our calibrator can yield significant efficiency gains over existing p-to-e calibrators. This e-value formulation enables principled use of recent advances in e-value merging and randomization, where we demonstrate its impact in two applications: cross-conformal prediction (CCP), whose variants typically provide only approximate $1-2\alpha$ coverage, and conformal aggregation (CA). In both cases, our e-value-based methods satisfy the desired $1-\alpha$ coverage guarantee while improving efficiency over standard baselines. More broadly, our approach expands the flexibility of CP and opens new directions for efficient, distribution-free uncertainty quantification.
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: Lin Li, Georgia Channing, Suhaas M Bhat, Gabriel Davis Jones, Yarin Gal
Abstract: Large language models (LLMs) have achieved remarkable progress in open-ended text generation, yet they remain prone to hallucinating incorrect or unsupported content, which undermines their reliability. This issue is exacerbated in long-form generation due to hallucination snowballing, a phenomenon where early errors propagate and compound into subsequent outputs. To address this challenge, we propose a novel inference-time hallucination mitigation framework, named Segment-wise HAllucination Rejection Sampling (SHARS), which uses an arbitrary hallucination detector to identify and reject hallucinated segments during generation and resample until faithful content is produced. By retaining only confident information and building subsequent generations upon it, the framework mitigates hallucination accumulation and enhances factual consistency. To instantiate this framework, we adopt semantic uncertainty as the detector and introduce several vital modifications to address its limitations and better adapt it to long-form text. Our method enables models to self-correct hallucinations without requiring external resources such as web search or knowledge bases, while remaining compatible with them for future extensions. Empirical evaluations on standardized hallucination benchmarks demonstrate that our method substantially reduces hallucinations in long-form generation while preserving or even improving the informativeness of generation. Code is available at: https://github.com/TreeLLi/hallucination-rejection-sampling.
URLs: https://github.com/TreeLLi/hallucination-rejection-sampling.
Authors: Vincent Limbach, Jonas Dornbusch, David L\"udke, Stephan G\"unnemann, Leo Schwinn
Abstract: Accurately evaluating adversarial robustness is a longstanding challenge. A flawed attack design can inflate robustness estimates, making deployment risk assessment and defense comparison unreliable. Historically, standardized attacks such as AutoAttack have largely resolved this for image classifiers, providing a reliable evaluation baseline for systematic comparison across defenses. However, no equivalent exists for LLM jailbreak evaluation yet, where designing such an attack is considerably more difficult. A reliable attack must, among other things, be black-box compatible, applicable to arbitrary defense pipelines, and efficient, which no existing method jointly satisfies. We introduce Indirect Harm Optimization (IHO), a masked diffusion language model attacker trained via iterative preference optimization against a harmfulness judge, requiring only black-box access to the target. The same method can be used without modification as a strong adaptive attack on individual behaviors, or as an efficient amortized policy that transfers to held-out behaviors and unseen target models without fine-tuning. Even against layered defenses, such as a Circuit Breaker-trained model combined with an auxiliary detector, IHO improves attack success considerably over state-of-the-art approaches, without any defense-specific adaptation. Our results position IHO as a practical step toward the kind of standardized jailbreak evaluation that has improved reliability in the past. Code and models are available on GitHub and Hugging Face.
Authors: Ruicheng Ao, Jiashuo Jiang, David Simchi-Levi
Abstract: Resource-constrained pricing controllers can make fixed-price inference impossible: the controller's resource state may remove the target price neighborhood from the feasible set, even when every realized action has a known positive density. We formalize this support-exclusion failure through a local non-identification result and a realized information clock. We then design a target-aware pricing controller that certifies feasible target bands and logs continuous local densities. Localized debiasing gives studentized intervals whose width is governed by this clock. The resulting regret--information accounting, stated up to pilot re-solving error, shows that cheap exploration can be insufficient for inference: polynomial target mass gives polynomial rates, while a pure $1/t$ target branch does not yield shrinking fixed-target intervals without additional local movement. Experiments show calibration in certified bands and diagnostic abstention when the resource state collapses target support.
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: Benjamin D. Shaffer, Pei-An Hsieh, Brooks Kinch, Nathaniel Trask, M. Ani Hsieh
Abstract: We introduce Neural Navigation Functions (Neural-NF), a learned reactive navigation function capable of zero-shot transfer across unseen environment geometries. Neural-NF places data-driven adaptation within a structured elliptic planner, where the navigation objective is learned while planner structure is preserved by construction. Specifically, intrinsic Laplacian-derived features are mapped to local PDE coefficients, and solving the resulting boundary value problem produces a globally consistent value function on each target domain. For every admissible learned model, the resulting policy is collision-free, provides monotonic descent and a global minimum at the goal by construction. This admits a linearly-solvable optimal-control interpretation for any parameter setting. Empirically, Neural-NF achieves strong zero-shot transfer across diverse geometries and outperforms learned planners that directly predict the value function by up to a $5\times$ improvement.
Authors: Pierre-Louis Cauvin, Panayotis Mertikopoulos
Abstract: We study the robustness of stochastic mirror descent (SMD) under heavy-tailed noise, focusing on whether the method retains its convergence guarantees when run with infinite-variance stochastic gradient input. To address this question in a principled manner, we begin by introducing a continuous-time model of SMD as a stochastic differential equation (SDE) driven by a centered L\'evy noise process with finite $p$-th order moments, $1 < p \leq 2$. This scheme -- which we call the L\'evy mirror flow (LMF) -- arises naturally as the scaling limit of SMD in the presence of heavy-tailed noise. In particular, when $p < 2$ -- the heavy noise regime -- the trajectories of LMF generically exhibit jump discontinuities of arbitrary magnitude which, if frequent enough, lead to infinite variance. Nonetheless, despite this highly singular behavior, we show that LMF attains $\epsilon$-optimality within $\mathcal{O}(\epsilon^{-p/(p-1)})$ time in the convex case, and within $\mathcal{\tilde O}(\epsilon^{-1/(p-1)})$ time for (relatively) strongly convex objectives. These guarantees provide a transparent characterization of the impact of frequent long jumps on the convergence of the process, and percolate to a series of matching discrete-time guarantees for several variants of SMD under heavy-tailed noise.
Authors: Yuetian Lu, Ali Modarressi, Yihong Liu, Hinrich Sch\"utze
Abstract: Causal tracing of factual recall has been studied predominantly in dense transformer language models, where interventions localize information flow to layers or feed-forward modules. Sparse mixture-of-experts (MoE) language models introduce a sharper question: when a factual prediction is mediated by a routed MoE block, which routed expert contributions matter? We formulate expert-aware causal tracing for sparse MoE language models. Using CounterFact facts, we first corrupt the model's factual preference by adding noise to subject-token embeddings, and then test whether clean MoE-block outputs or clean expert-level updates restore the true-vs-foil logit contrast. For Qwen3-30B-A3B-Base, a layer sweep selects and validates layer 44, and expert-level tracing identifies L44E069 as an expert repeatedly selected in the clean run whose held-out patch outperforms other active same-layer expert patches. For Mixtral-8x7B-v0.1, layer-level tracing validates a mid-layer signal, but the signal is not localized to the selected singleton expert; a coalition check instead recovers it with routed multi-expert updates. These results suggest that MoE factual tracing can be made expert-aware, while also showing that expert-level localization is model- and protocol-dependent rather than universal.
Authors: Georgios Tsoumplekas, Stella Bounareli, Vasileios Argyriou
Abstract: Low-Rank Adaptation (LoRA) successfully enables personalization in text-to-image generation by adapting pre-trained diffusion models to specific visual concepts and styles. However, extending such models to multi-concept customization remains challenging. Naively combining multiple LoRA weights or their outputs often leads to interference among concepts, resulting in degraded visual quality and reduced fidelity to the reference images of individual concepts. This paper proposes a simple yet effective approach for multi-concept customization by optimally combining the outputs of multiple LoRA modules. We leverage the relative importance of each concept during generation, as inferred from its corresponding prompt tokens and introduce two methods, W-Switch and W-Composite, that employ a prompt-aware importance weighting strategy in which each LoRA is weighted according to the semantic influence of its trigger words in the target prompt. In addition, we extend existing quantitative evaluation metrics by proposing a new image-based similarity evaluation framework that assesses image fidelity and identity preservation through comparisons between real-world reference images and automatically segmented concept regions from generated images. We evaluate our approach on the ComposLoRA testbed and demonstrate consistent improvements over existing state-of-the-art methods in terms of visual quality, identity preservation and compositionality. Qualitative evaluations, including a Large Language Model (LLM) based assessment and a user study, further validate the effectiveness of the proposed methods and align with the newly introduced quantitative image-based metrics. Our code is available at https://github.com/GeorgeTsoumplekas/Prompt-Aware-Multi-LoRA-Composition.
URLs: https://github.com/GeorgeTsoumplekas/Prompt-Aware-Multi-LoRA-Composition.
Authors: Jonas Guan, Tom Blanchard, Hanna Foerster, Hengrui Jia, Gabriel Huang, Nicolas Papernot
Abstract: A computer worm is malware that spreads on a network by replicating itself from one machine to another. Traditional worms, like WannaCry, exploited predetermined vulnerabilities, and their spread can be halted by patching those vulnerabilities. Here we show that artificial intelligence (AI) agents enable a fundamentally new threat: a worm that generates tailored attack strategies to each target it encounters. The worm parasitically uses compromised machines to run open-weight large language models (LLMs) to sustain its reasoning, or extend its reach for further attacks. Deployed on a network of machines spanning Linux, Windows, and IoT (Internet of Things) devices, the worm propagated by exploiting common, real-world corporate network vulnerabilities. Since the worm is powered by stolen compute, the attacker's marginal cost per new infection is zero. This creates a destabilizing economic asymmetry between attackers and defenders. Moreover, because the worm requires no commercial AI platform, centralized safety controls, such as service refusals or rate limiting, are structurally irrelevant. Our results demonstrate that self-sustaining AI-driven cyber-threats are no longer theoretical. We must prepare for autonomous generative adversaries: malware systems that propagate without human operators and are defined not by fixed exploit code, but by the capacity to reason about targets, adapt to observations, and synthesize attack logic in real time.
Authors: Weiguo Gao, Ming Li, Lei Shi, Hanfei Zhou
Abstract: We develop a quantitative approximation framework for diffusion distillation, viewing few-step sampling as error propagation under compositions of learned flow maps. Focusing on trajectory distillation for the probability-flow ODE, we show that local approximation errors can be strongly amplified in low-noise multimodal regimes, where the underlying dynamics become stiff. In an analytically tractable Gaussian-mixture Ornstein--Uhlenbeck setting, we separate two core difficulties: approximating the time-dependent score field and controlling the dynamical amplification governed by the time-integrated Jacobian bound of the probability-flow ODE. On the approximation side, we prove constructive L^p(p_t) guarantees showing that ReLU--ReQU networks approximate the Gaussian-mixture score uniformly over time, with depth and width scaling polylogarithmically in the target accuracy and explicitly with the mixture geometry. On the stability side, we derive an explicit bound L(t) for the spatial Lipschitz constant of the probability-flow velocity and convert it into a flow map stability estimate governed by \int_s^t L(u)\,du, making late-time amplification in stiff regimes computable. Building on these estimates, we prove that deep residual compositions efficiently approximate the long-horizon transport, with global error controlled by the stability amplification factor, and identify a Lipschitz-mismatch regime in which one-step distillation is structurally unfavorable. The resulting theory yields a stability-balanced non-uniform time grid obtained by uniform partitioning in the cumulative stability coordinate. Experiments support the prediction and reduce end-to-end relative MSE by up to 51.9\% with 8 segments compared with uniform grids.
Authors: Qi Cao, Takeshi Kojima, Andrew Gambardella, Helinyi Peng, Yutaka Matsuo, Yusuke Iwasawa
Abstract: Large language models (LLMs) demonstrate remarkable performance across diverse tasks, but they often generate responses that appear plausible while being factually incorrect. This problem is compounded by the lack of explicit uncertainty estimates, which makes it difficult for users to judge the reliability of model outputs. Existing uncertainty quantification methods typically rely on indirect signals, such as entropy across sampled generations. These signals can be difficult to interpret and do not fully leverage the model's ability to assess its own uncertainty. We propose a simple yet effective self-assessment method for uncertainty quantification in LLMs. Our approach groups sampled generations into semantically distinct clusters, converts them into answer options in a structured multiple-choice question, and uses the probability assigned by the LLM to each option as a confidence estimate. Experiments across multiple models and datasets show that our method consistently outperforms baseline approaches. Notably, it achieves competitive performance with as few as two additional samples, demonstrating both its effectiveness and efficiency.
Authors: Thomas Maillart, Thibaut Chataing, Ntorina Antoni, David Dosu, Paul Bagourd, Julian Jang-Jaccard, Alain Mermoud
Abstract: We introduce an explainable machine-learning approach that forecasts the structural precursors of scientific breakthroughs -- the emergence and intensification of links between research concepts -- by modelling how OpenAlex concept networks evolve over time. Using 59 semantic and topological features, a two-stage LightGBM model jointly predicts the formation and the future weight of concept pairs, adding a regression stage that quantifies expected intensity to prior link-existence forecasts. Relative to the state of the art, the approach improves accuracy and explainability at once: comparative validation across four technology and biomedical domains yields ROC-AUC in [0.954, 0.967] at all horizons without re-tuning, exceeding the roughly 0.90 of prior models, while every forecast rests on structural, auditable features rather than opaque embeddings. Classification performance is high (AUC about 0.95) and regression remains stable (RMSLE 0.45 to 0.6 over one to five years). Feature attribution shows that structural factors -- particularly Adamic-Adar similarity and degree-based Hadamard measures -- consistently drive accuracy, suggesting that breakthrough-relevant recombinations emerge in tightly connected sub-networks. Two expert-anchored cases, quantum annealing and AI-enabled quantum architectures, show the model surfacing technological convergence consistent with expert expectations. We then outline a three-layer decision architecture -- detection, expert translation, institutional integration -- that turns these forecasts into evidence-based research strategy and policy, anchored in open data and explainable features.
Authors: Luis Palacios, Lorenzo Basile, Diego Doimo, Alberto Cazzaniga
Abstract: Visual instruction tuning effectively adapts a pre-trained Large Language Model (LLM) to process image information alongside text. Yet, it remains unclear how visual features are embedded into the layer-wise hierarchy of abstractions of the LLM backbone. Across a diverse set of vision-language architectures, we show that instruction tuning primarily serves as a bridge, embedding visual features directly into the intermediate semantic layers of the LLM, bypassing the early layers devoted to unimodal processing. With probing analyses and causal interventions, we show that these intermediate layers are the semantic core of vision-language processing and play a critical role in the performance on a broad set of multimodal benchmarks. In addition, by comparing the geometry of semantically equivalent visual and textual representations, we find that fine-tuning extends and strengthens the existing abstraction phase, aligning visual features with pre-existing textual ones. Finally, we confirm the functional role of this localized alignment by restricting fine-tuning to intermediate layers alone: this strategy preserves the performance of full fine-tuning on vision-centric benchmarks while reducing training time. Our results suggest that multimodal integration is a localized phenomenon driven by the repurposing of the internal abstraction engine of the LLM.
Authors: Prashant Shekhar, Caroline Howard
Abstract: Advertising platforms use randomized lift tests to measure incrementality, but privacy-preserving reporting systems degrade the observed signal through match-rate loss, linkability loss, attribution-window loss, aggregation-threshold suppression, randomized reporting noise, and segment-heterogeneous signal loss. This paper formulates privacy-constrained advertising measurement as a robust causal decision problem under the mentioned signal losses. Given a randomized experiment and an ambiguity set for privacy-induced degradation, the framework projects the observation-compatible fiber of clean/unfiltered experimental worlds onto the incrementality functional and returns certified, rejected, and unresolved decisions. The main result gives a sharp decision frontier. Reports outside the frontier support uniformly valid certification or rejection, whereas reports inside it contain too little information for any method to uniformly distinguish above-threshold incrementality from non-incrementality. Supporting results give finite-sample certification, sample-complexity guarantees, a minimax lower bound showing that signal loss reduces effective information, and a reporting-granularity tradeoff. On 2.0M Criteo Uplift rows and the 64K-row Hillstrom email experiment, clean conversion lift is positive in both datasets, with lifts 0.00112 and 0.00495, respectively. Population certification survives mild degradation in Criteo and severe degradation in Hillstrom, while all considered finite-sample stress settings in both datasets remain unresolved after simultaneous uncertainty and reporting noise are included. Overall, the research contributes a decision-theoretic layer for privacy-aware incrementality measurement whose output is the strongest causal-claim justified by degraded ads signals.
Authors: Fr\'ed\'eric Berdoz, Luca A. Lanzend\"orfer, Fabian Farestam, Roger Wattenhofer
Abstract: Large reasoning models (LRMs) are often evaluated using metrics such as final-answer accuracy or token count. However, identical scores on these metrics can hide fundamentally different reasoning structures. To address this limitation, we introduce a scalable LRM benchmark of logic puzzles and a pipeline that converts unstructured traces into verifiable reasoning graphs of claims and dependencies. This turns reasoning into a structured, measurable object whose topology can be quantitatively analyzed. Building on this, we define a reasoning efficiency metric that quantifies how concentrated the model's logical flow is. Our analysis on open-source reasoning models shows that structural measurements separate behaviors that token count and accuracy conflate, providing a practical tool for diagnosing failure modes and comparing how reasoning scales with puzzle difficulty.
Authors: Ioannis Gatopoulos, Nicolas K\"anzig, Sebastian Ot\'alora, Fei Tang
Abstract: Self-supervised learning has enabled large-scale pre-training on 2D natural images, producing general-purpose visual representations that transfer effectively across tasks. However, many medical imaging modalities, such as CT scans, are inherently three-dimensional and differ fundamentally from natural images in both structure and semantics. Volumetric modalities capture spatial continuity, organ anatomy, and intensity-based tissue properties (e.g., Hounsfield Units), which are not adequately modeled by 2D pre-training. To bridge this gap, we introduce CoralBay, a self-distillation framework that extends DINO by using a hierarchical 3D Swin backbone and applying self-distillation to concatenated multi-scale features, enabling data-efficient self-supervised learning of rich spatial representations that encode both global semantics and fine-grained local structure. As a result, CoralBay transfers effectively to a wide range of downstream radiological tasks, demonstrating strong and consistent performance across diverse anatomical targets. In addition, we contribute to the open-source \eva framework by introducing a public, reproducible 3D radiology leaderboard that unifies multiple datasets and establishes a standardized benchmark for evaluating volumetric representation learning methods.
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) an automated data synthesis pipeline that generates validated multi-turn tool-call trajectories against these servers via dependency-graph-guided conversation simulation grounded in live-sampled server state, so every generated query references entities that actually exist; and (3) a multi-component programmatic reward - graduated validity scoring, dependency-aware coverage, an adaptive efficiency penalty with a complexity-scaled call budget, a tool-name signal, and an argument-value matching bonus - requiring no external judge model. We train four models (Qwen3-4B, Qwen3-8B, Qwen2.5-7B, Granite-4.1-8B) with GRPO using identical reward hyperparameters and ~13K training examples; only learning rate is tuned per model family from a three-point sweep. 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 a compact programmatic reward yields consistent gains on multi-step tool orchestration across two model families.
Authors: Stijn Van Vooren, Guy Van der Sande, Guy Verschaffelt
Abstract: As Moore's law reaches its limits, Ising machines offer a promising alternative computing approach for difficult optimization problems. However, many analog, time-continuous Ising machines rely on gradient-descent-like dynamics to find solutions, which can limit speed and robustness. We investigate whether momentum and Adam optimization can improve these systems. Since these optimizers are traditionally formulated in discrete time, we derive continuous-time versions suitable for analog, time-continuous Ising-machine dynamics. On Max-Cut benchmarks, we find that Adam-based dynamics substantially reduce time-to-target and improve solution quality compared with gradient-descent- and momentum-based dynamics. We further introduce a first-order continuous-time approximation of Adam that is intended as a simpler starting point for future physical implementations and while performing better than the full Adam formulation in a continuous-time setting. We also study a purely algorithmic discrete-time setting, where the performance gap is reduced on easier problem instances, while the Adam-based update rule performs best on harder weighted problem instances. These results identify continuous-time Adam dynamics as a powerful design principle for analog Ising machines.
Authors: Thomas Maillart, Thibaut Chataing, David Dosu, Paul Bagourd, Julian Jang-Jaccard, Alain Mermoud
Abstract: Understanding and anticipating scientific change requires models that distinguish between endogenous consolidation and exogenous diffusion of scientific concepts. Using the quantum computing subtree of concepts in OpenAlex, we construct a temporally resolved concept co-occurrence network and track each concept pair through its upstream citation lineage and downstream diffusion. We train LightGBM models on distributional and diversity-aware features to predict four outcomes: endogenous reinforcement, exogenous diffusion, their ratio, and diffusion entropy. After controlling for overall publication growth of the scientific body, endogenous reinforcement proves largely unpredictable in the primary quantum-computing benchmark. In contrast, exogenous diffusion and entropy are strongly predictable ($R^2$ up to $0.78\`a) and are driven by upstream heterogeneity, citation breadth, and distributional dispersion, as shown by SHAP analyses; replications on robotics, advanced materials, and neuro implants confirm that exogenous diffusion remains the top-ranked target across fields ($R^2_test \sim 0.60-0.87$), while endogenous predictability rises markedly in neuro implants (R^2_test = 0.83), indicating that the quantum-computing asymmetry does not generalise uniformly. Case studies reveal that sharp entropy increases coincide with the opening of new conceptual frontiers, while entropy collapses signal technological convergence or paradigm displacement. These results demonstrate that conceptual diffusion is governed by stable structural regularities embedded in semantic and citation environments. By identifying early diversity-based signals of cross-domain uptake, the approach provides a scalable foundation for anticipatory scientometrics, technology foresight, and innovation-oriented policy analysis in rapidly evolving research fields.
Authors: Mengdi Chu, Jiaxin Yang, Angus G. Forbes, Nathan Debardeleben, Earl Lawrence, Ayan Biswas, Han-Wei Shen
Abstract: Modeling temporal evolution is important to analyzing and reasoning about scientific phenomena, yet most machine learning methods provide deterministic forward predictions that overlook multiple plausible outcomes and rarely support backward reasoning, limiting their usefulness in practical scientific workflows. We present a framework that integrates diffusion-based generative modeling with interactive visual analytics for scientific exploration. We introduce DiffUNet^2, a conditional diffusion model that enables bidirectional, any-to-any generation across time and captures distributions of plausible system evolutions. Built upon the model, our interactive system supports branching timeline exploration, user-guided state editing, and probability-space navigation, enabling scientists to actively explore alternative hypotheses rather than passively observe predictions. We evaluate the model on 5 datasets across different scientific domains to validate its predictive accuracy and probability-space ensemble quality. In collaboration with domain experts, we demonstrate the effectiveness of our approach in supporting practical scientific temporal data analysis workflows. By integrating modeling and visual interaction, our approach enables scientists to interactively explore system dynamics, transforming generative models into tools for hypothesis-driven scientific analysis.
Authors: Carlo Wenig, Raoul-Martin Memmesheimer, Christian Klos
Abstract: The ability to train spiking neural networks is essential for modeling biological neural networks as well as for neuromorphic computing. However, for the extensively used leaky integrate-and-fire (LIF) neurons, arbitrarily small parameter changes can induce spike (dis)appearances that disrupt subsequent activity, leading to unstable neural representations and permanently silent neurons during exact spike-based gradient descent. Recent work shows that a class of neuron models, which includes the quadratic integrate-and-fire (QIF) neuron, avoids these discontinuities and enables continuous and even smooth spike-based gradient descent. However, it remains unclear whether these advantages translate into practice. Here, we demonstrate that they do so via a controlled comparison between networks of LIF and QIF neurons on the popular Spiking Heidelberg Digits dataset. Specifically, in a first step, we perform a thorough hyperparameter search to optimize both models, revealing a clear performance advantage of QIF neurons. In a second step, we visualize the loss and gradient landscapes. Consistent with their inferior performance, we find that the loss landscapes of LIF neurons, which are discontinuous, appear more fragmented and the related gradients more erratic. An analysis of the landscapes of single samples indicates that these features arise from changes in the temporal order of spikes, which often cause disruptive spike (dis)appearances. Overall, our results advocate replacing LIF neurons with neuron models exhibiting continuous spiking dynamics, such as QIF neurons, for gradient descent training.
Authors: Dan Jacobellis, Neeraja J. Yadwadkar
Abstract: In robotics systems, vast amounts of visual data are easily captured at high resolution using low-cost, low-power hardware. Yet, limited bandwidth and on-device compute resources prevent full utilization when transmitted via conventional codecs like JPEG/MPEG. Newer codecs, like AV1/AVIF, improve the rate-distortion trade-off, but demand far more resources for encoding, impractical without custom ASICs. Recent asymmetric autoencoders deliver high quality under extreme power and bandwidth constraints, but add prohibitive decoding cost and use bespoke formats that ignore decades of infrastructure built around standards like JPEG. To address these limitations, we introduce a compression framework for cloud robotics based on a Sensor Embedded Autoencoder paired with a One-Time Transcode for Efficient Reconstruction (SEAOTTER). Because the sensor, cloud, and consumer stages face very different power and bandwidth budgets, SEAOTTER combines the compactness of a learned latent with the broad usability of a standard JPEG file. Since naive transcoding degrades performance, we propose a learnable JPEG color and quantization transform that enables increased accuracy for global, dense, and vision-language-based perception. Using SEAOTTER, we train both general-purpose and task-aware transcoding pipelines for a pre-trained, frozen encoder. At a compression ratio of 200:1 and compared to AVIF, we observe 7 times faster encoding, 3.5 times faster decoding, and +8% ImageNet top-1 accuracy, while retaining compatibility with JPEG infrastructure. Our code is available at https://github.com/UT-SysML/seaotter .
Authors: Mihail Stoian, Mark Gerarts, Pascal Ginter, Andreas Zimmerer, Jan Van den Bussche, Andreas Kipf
Abstract: Database vendors recently released AI functions that can be used in filter predicates. As such functions often rely on costly, black-box ML models, they unveil new data management challenges. Concretely, traditional data skipping techniques for integer and string data fail to be applicable to the new filter type. Indeed, there is no known mechanism for pruning non-qualifying row groups, e.g., when reading files from blob storage. In this work, we initiate the study of data skipping techniques for ML filters. We make the case that Parquet's default min-max metadata is enough to enable pruning. To this end, we draw connections to two lines of research: (i) the recently proposed query language for ML models and (ii) neural network verification. Our preliminary results on ReLU architectures show that on tables from TPC-H and TPC-DS, the average pruning effectiveness for filters of selectivity below 0.1% amounts to 27.4%. Finally, inspired by research on spatial joins, we propose an enhanced metadata structure: a size-bounded 2D convex hull that verification tools can make better use of, increasing the pruning effectiveness to 38.31%, while occupying at most 45 bytes per row group and column pair. We observe an end-to-end speedup of 1.07$\times$ over PyTorch in DuckDB.
Authors: Hanjiang Hu, Yiyuan Pan, Jiaxing Li, Xusheng Luo, Alexander Robey, Na Li, Yebin Wang, Changliu Liu
Abstract: As AI systems increasingly assist humans in physical tasks, ensuring safety becomes paramount -- physical actions carry immediate and irreversible consequences that digital errors do not. We introduce the Vision-Language Embodied Safety Agent (VLESA), a framework that monitors human activities from egocentric video and triggers real-time safety interventions when dangerous actions are predicted. VLESA addresses intent-dependent safety where identical actions can be safe or dangerous depending on context. A dataset pairing egocentric frames with goal-conditioned safety annotations is introduced, enabling a goal-conditioned safety Q-filter trained via GRPO that evaluates actions with respect to inferred intent without retraining. On top of that, an intent-action prediction agent is proposed to jointly infer goals and predict future actions from video. On the ASIMOV-2.0 benchmark, VLESA achieves higher intervention accuracy at the exact ground-truth frame compared to baselines, while the GRPO-trained Q-filter improves action safety by over 41 percentage points through goal-conditioned constrained decoding. Code is available at https://github.com/HanjiangHu/VLESA.
Authors: Lianghuan Huang, Yihao Li, Saeed Salehi, Yingshan Chang, Ansh Soni, Konrad P. Kording
Abstract: Representations of the world, arguably, contain information about features (e.g. something is blue, something is a circle) but also information about which features are part of the same object (e.g. the circle is blue), which we call binding information. Any system with the ability to understand scenes with multiple objects must be able to solve the binding problem: it needs to know which features belong together. However, despite work showing that Vision Transformers (ViTs) know which patches belong together, it is not known whether current deep learning models learn to exhibit binding information, i.e., for features. We may believe that there is not much binding information, after all misattributing features to wrong objects is a common failure of ViT-based architectures, especially in scenes with objects sharing features. Here we formalize the binding problem with an information-theoretic approach, and introduce a probing method to measure binding information in model representations. We perform experiments on ViTs, measuring binding from different components of the architecture, such as the image summary token [CLS] or the spatial tokens. We use datasets with different binding challenges, such as feature sharing, occlusion, and natural features, while comparing the performance of several pre-trained ViTs. Overall, our research demonstrates binding as a key ingredient to strong visual recognition and reasoning.
Authors: Marek Herde, Lukas L\"uhrs, Denis Huseljic, Bernhard Sick
Abstract: Training with noisy class labels impairs neural networks' generalization performance. In this context, mixup is a popular regularization technique to improve training robustness by making memorizing false class labels more difficult. However, mixup neglects that multiple annotators, e.g., crowdworkers, typically provide class labels. Therefore, we propose an extension of mixup, which handles multiple class labels per instance while considering which class label originates from which annotator. Integrated into our multi-annotator classification framework annot-mix, it performs superiorly to eleven (mostly state-of-the-art) approaches in an evaluation study with eleven datasets comprising noisy class labels from either human or simulated annotators. Our code is publicly available through our GitHub repository at https://github.com/ies-research/multi-annotator-machine-learning/tree/annot-mix
URLs: https://github.com/ies-research/multi-annotator-machine-learning/tree/annot-mix
Authors: Aleksander Krasowski, Jonas R. Naujoks, Moritz Weckbecker, Galip \"U. Yolcu, Thomas Wiegand, Sebastian Lapuschkin, Wojciech Samek, Ren\'e P. Klausen
Abstract: Physics-informed neural networks (PINNs) have emerged as a powerful deep learning approach for solving partial differential equations (PDEs) in the physical sciences, yet their behavior remains largely opaque and is typically understood through failure mode analyses rather than explicit interpretability. To address this issue, we introduce PINNfluence, a training data attribution framework for interpreting PINNs based on influence functions. By extending influence functions to composite physics-informed training objectives, we enable fine-grained attribution between predictions, loss components, and training data points. Through benchmark experiments across various PDEs, we demonstrate that influence patterns provide granular diagnostics that distinguish structural characteristics across well-trained and poorly-trained PINNs. PINNfluence thus opens a new avenue for understanding and improving the reliability of PINNs through the lens of their data.
Authors: Nazanin Nezami, Hadis Anahideh
Abstract: Optimizing costly black-box functions within a constrained evaluation budget presents significant challenges in many real-world applications. Surrogate Optimization (SO) is a common resolution, yet its proprietary nature introduced by the complexity of surrogate models and the sampling core (e.g., acquisition functions) often leads to a lack of explainability and transparency. While existing literature has primarily concentrated on enhancing convergence to global optima, the practical interpretation of newly proposed strategies remains underexplored, especially in batch evaluation settings. In this paper, we propose \emph{Inclusive} Explainability Metrics for Surrogate Optimization (IEMSO), a comprehensive set of model-agnostic metrics designed to enhance the transparency, trustworthiness, and explainability of the SO approaches. Through these metrics, we provide both intermediate and post-hoc explanations to practitioners before and after performing expensive evaluations to gain trust. We consider four primary categories of metrics, each targeting a specific aspect of the SO process: Sampling Core Metrics, Batch Properties Metrics, Optimization Process Metrics, and Feature Importance. Our experimental evaluations demonstrate the significant potential of the proposed metrics across different benchmarks.
Authors: Erwin Riegler, Alex B\"uhler, Yang Pan, Helmut B\"olcskei
Abstract: We derive universal approximation results for the class of (countably) $m$-rectifiable measures. Specifically, we prove that $m$-rectifiable measures can be approximated as push-forwards of the one-dimensional Lebesgue measure on $[0,1]$ using ReLU neural networks with arbitrarily small approximation error in terms of Wasserstein distance. What is more, the weights in the networks under consideration are quantized and bounded and the number of ReLU neural networks required to achieve an approximation error of $\varepsilon$ is no larger than $2^{b(\varepsilon)}$ with $b(\varepsilon)=\mathcal{O}(\varepsilon^{-m}\log^2(\varepsilon))$. This result improves Lemma IX.4 in Perekrestenko et al. as it shows that the rate at which $b(\varepsilon)$ tends to infinity as $\varepsilon$ tends to zero equals the rectifiability parameter $m$, which can be much smaller than the ambient dimension. We extend this result to countably $m$-rectifiable measures and show that this rate still equals the rectifiability parameter $m$ provided that, among other technical assumptions, the measure decays exponentially on the individual components of the countably $m$-rectifiable support set.
Authors: Han Fang, Paul Weng, Yutong Ban
Abstract: Deep Reinforcement Learning (DRL) has emerged as a promising approach for solving Combinatorial Optimization (CO) problems, such as the 3D Bin Packing Problem (3D-BPP), Traveling Salesman Problem (TSP), or Vehicle Routing Problem (VRP), but these neural solvers often exhibit brittleness when facing distribution shifts. To address this issue, we uncover the Satisficing Generalization Edge, which we validate both theoretically and experimentally: identifying a set of promising actions is inherently more generalizable than selecting the single optimal action. To exploit this property, we propose Adaptive Selection After Proposal (ASAP), a generic framework that decomposes the decision-making process into two distinct phases: a proposal policy that acts as a robust filter, and a selection policy as an adaptable decision maker. This architecture enables a highly effective online adaptation strategy where the selection policy can be rapidly fine-tuned on a new distribution. Concretely, we introduce a two-phase training framework enhanced by Model-Agnostic Meta-Learning (MAML) to prime the model for fast adaptation. Extensive experiments on 3D-BPP, TSP, and CVRP demonstrate that ASAP improves the generalization capability of state-of-the-art baselines and achieves superior online adaptation on out-of-distribution instances.
Authors: Javier Rando, Jie Zhang, Nicholas Carlini, Florian Tram\`er
Abstract: In the past decade, considerable research effort has been devoted to securing machine learning (ML) models that operate in adversarial settings. Yet, progress has been slow even for simple "toy" problems (e.g., robustness to small adversarial perturbations) and is often hindered by non-rigorous evaluations. Today, adversarial ML research has shifted towards studying larger, general-purpose language models. In this position paper, we argue that the situation is now even worse: in the era of LLMs, the field of adversarial ML studies problems that are (1) less clearly defined, (2) harder to solve, and (3) even more challenging to evaluate. As a result, we caution that yet another decade of work on adversarial ML may be failing to produce meaningful progress.
Authors: Jianan Nie, Peiyao Xiao, Kaiyi Ji, Peng Gao
Abstract: Predicting properties of crystals from their structures is a fundamental yet challenging task in materials science. Unlike molecules, crystal structures exhibit infinite periodic arrangements of atoms, requiring methods capable of capturing both local and global information effectively. However, current works fall short of capturing long-range interactions within periodic structures. To address this, we leverage \emph{reciprocal space}, the natural domain for periodic crystals, and construct a Fourier series representation from fractional coordinates and reciprocal lattice vectors with learnable filters. Building on this, we introduce the reciprocal space-based geometry network (\textbf{ReciNet}), a novel architecture that integrates geometric GNNs and reciprocal blocks to model short-range and long-range interactions. Experiments on comprehensive benchmarks JARVIS, Materials Project, and MatBench demonstrate that ReciNet achieves outstanding predictive accuracy across a range of crystal property prediction tasks. Additionally, we explore a model extension for multi-property prediction with the mixture-of-experts, which demonstrates high computational efficiency and reveals positive transfer between correlated properties. These findings highlight the potential of our model as a scalable and accurate solution for crystal property prediction.
Authors: Zander W. Blasingame, Chen Liu
Abstract: Training-free guided generation is a widely used and powerful technique that allows the end user to exert further control over the generative process of flow/diffusion models. Generally speaking, two families of techniques have emerged for solving this problem for gradient-based guidance: namely, posterior guidance (i.e., guidance via projecting the current sample to the target distribution via the target prediction model) and end-to-end guidance (i.e., guidance by performing backpropagation throughout the entire ODE solve). In this work, we show that these two seemingly separate families can actually be unified by looking at posterior guidance as a greedy strategy of end-to-end guidance. We explore the theoretical connections between these two families and provide an in-depth theoretical of these two techniques relative to the continuous ideal gradients. Motivated by this analysis we then show a method for interpolating between these two families enabling a trade-off between compute and accuracy of the guidance gradients. We then validate this work on several inverse image problems and property-guided molecular generation.
Authors: Zander W. Blasingame, Chen Liu
Abstract: Deep generative models based on neural differential equations have become state-of-the-art for many generation tasks. These models rely on ODE/SDE solvers that integrate from a prior distribution to the data distribution; in many applications it is also highly desirable to integrate in the inverse direction. Standard solvers, however, accumulate discretization errors that prohibit exact inversion, an inaccuracy that is unacceptable in precision-critical applications. Existing inversion methods suffer from poor stability and low order of convergence, and are strictly limited to the ODE setting. In this work, we propose Rex, a family of reversible exponential (stochastic) Runge-Kutta solvers obtained by applying Lawson methods to convert any explicit (stochastic) Runge-Kutta scheme into an algebraically reversible one for both diffusion ODEs and SDEs. Beyond a rigorous theoretical analysis -- establishing arbitrary-order convergence and a non-zero region of linear stability -- we empirically demonstrate that Rex achieves near-machine-precision reconstruction and improves Boltzmann sampling with flow models as well as image generation and editing with diffusion models.
Authors: Nicholas H. Barbara, Ruigang Wang, Ian R. Manchester
Abstract: This paper presents the Robust Recurrent Deep Network (R2DN), a scalable parameterization of robust recurrent neural networks for machine learning and data-driven control. We construct R2DNs as the feedback interconnection of a linear time-invariant system and a 1-Lipschitz deep feedforward network, and directly parameterize the weights so that our models are stable (contracting) and robust to small input perturbations (Lipschitz) by design. Our parameterization uses a structure similar to the previously-proposed recurrent equilibrium network (REN), but without the requirement to iteratively solve an equilibrium layer at each time-step. This speeds up both model inference and backpropagation on GPUs, and makes it computationally feasible to scale up the network size, batch size, and input sequence length in comparison to RENs. We compare R2DNs to RENs on three representative problems in nonlinear system identification, observer design, and learning-based feedback control. We find that training and inference are both up to an order of magnitude faster with similar test set performance, and that they scale more favorably with respect to model expressivity.
Authors: Xiaobei Zou, Luolin Xiong, Kexuan Zhang, Cesare Alippi, Yang Tang
Abstract: Accurate predictions of spatio-temporal systems are crucial for tasks such as system management, control, and crisis prevention. However, the inherent time variance of many spatio-temporal systems poses challenges to achieving accurate predictions whenever stationarity is not granted. In order to address non-stationarity, we propose a Distribution and Relation Adaptive Network (DRAN) capable of dynamically adapting to relation and distribution changes over time. While temporal normalization and de-normalization are frequently used techniques to adapt to distribution shifts, this operation is not suitable for the spatio-temporal context as temporal normalization scales the time series of nodes and possibly disrupts the spatial relations among nodes. In order to address this problem, a Spatial Factor Learner (SFL) module is developed that enables the normalization and de-normalization process. To adapt to dynamic changes in spatial relationships among sensors, we propose a Dynamic-Static Fusion Learner (DSFL) module that effectively integrates features learned from both dynamic and static relations through an adaptive fusion ratio mechanism. Furthermore, we introduce a Stochastic Learner to capture the noisy components of spatio-temporal representations. Our approach outperforms state-of-the-art methods on weather prediction and traffic flow forecasting tasks.Experimental results show that our SFL efficiently preserves spatial relationships across various temporal normalization operations. Visualizations of the learned dynamic and static relations demonstrate that DSFL can capture both local and distant relationships between nodes.
Authors: Ioannis Athanasiadis, Anmar Karmush, Michael Felsberg
Abstract: In deep learning, functional similarity evaluation quantifies the extent to which independently trained models learn similar input--output relationships. In model stitching, functional similarity is framed as representation forward compatibility, i.e., whether the representations of two models can be aligned to solve a given task. Recent studies, however, highlight a critical limitation: models relying on different information cues can still produce compatible representations, making them appear misleadingly similar (Smith et al., 2025). We attribute this failure to standard model stitching being inherently blind to the invariance properties of the stitched models. To address this limitation, we introduce the forward--backward compatibility requirement under which we formulate the invariance-aware model stitching. Through analyzing key stitching configurations, we study the interplay between forward and backward compatibility, showing that invariance-aware model stitching provides a more principled approach to functional similarity evaluation while revealing functional discrepancies previously obscured.
Authors: Shuo Wang, Shunyang Huang, Jinghui Yuan, Zhixiang Shen, Zhao Kang
Abstract: Fusing heterogeneous information remains a persistent challenge in modern data analysis. While significant progress has been made, existing approaches often fail to account for the inherent heterogeneity of object patterns across different semantic spaces. To address this limitation, we propose the Cooperation of Experts (CoE) framework, which encodes multi-typed information into unified heterogeneous multiplex networks. By overcoming modality and connection differences, CoE provides a powerful and flexible model for capturing the intricate structures of real-world complex data. In our framework, dedicated encoders act as domain-specific experts, each specializing in learning distinct relational patterns in specific semantic spaces. To enhance robustness and extract complementary knowledge, these experts collaborate through a novel large margin mechanism supported by a tailored optimization strategy. Rigorous theoretical analyses guarantee the framework's feasibility and stability, while extensive experiments across diverse benchmarks demonstrate its superior performance and broad applicability. Our code is available at https://github.com/strangeAlan/CoE.
Authors: Benjamin Th\'erien, Xiaolong Huang, Aaron Defazio, Irina Rish, Eugene Belilovsky
Abstract: DiLoCo is a powerful framework for training large language models (LLMs), enabling larger optimal batch sizes and increased accelerator utilization under networking constraints. However, DiLoCo's performance has been shown to degrade as the number of workers (K) increases (Charles et al., 2025). In this work, we posit that a related but often overlooked factor in DiLoCo's behavior is the choice of inner optimizer, which shapes the pseudogradient used by the outer optimizer. Given the recent success of Muon relative to AdamW for data parallel (DP) training, we examine how Muon's normalized optimizer steps can affect the pseudogradient's quality. We find that, relative to AdamW, Muon yields more directionally correct pseudogradients as the number of workers ($K$) increases. In our experiments pre-training language models, we conduct extensive hyperparameter tuning across 150M, 416M, 914M, 1.76B, and 3.1B models for DiLoCo, MuLoCo, AdamW DP, and Muon DP. Consistently across all scales, we find that with $K\geq1$ workers, MuLoCo (Muon inner optimizer DiLoCo) achieves superior performance to DiLoCo in absolute terms and for $K>2$ it outperforms DiLoCo relative to their data parallel baselines, while being compatible with quantization, streaming, and long synchronization intervals. At $K=1$, we find that MuLoCo can even outperform the data-parallel gold standard while having larger critical batch sizes. Finally, we extrapolate optimal hyperparameters to 15B scale and train a model with each method (six in total) using $K=1$ and $K=16$ workers. We find that $K=16$ MuLoCo nearly matches single-worker performance at this scale, while MuLoCo $K=1$ matches the best performing baseline while using a much larger $16$M token batch size.
Authors: Jie Peng, Zhewei Wei, Yuhang Ye
Abstract: Due to the proficiency of self-attention mechanisms (SAMs) in capturing dependencies in sequence modeling, several existing dynamic graph neural networks (DGNNs) utilize Transformer architectures with various encoding designs to capture sequential evolutions of dynamic graphs. However, the effectiveness and efficiency of these Transformer-based DGNNs vary significantly, highlighting the importance of properly defining the SAM on dynamic graphs and comprehensively encoding temporal and interactive dynamics without extra complex modules. In this work, we propose TIDFormer, a dynamic graph TransFormer that fully exploits Temporal and Interactive Dynamics in an efficient manner. We clarify and verify the interpretability of our proposed SAM, addressing the open problem of its uninterpretable definitions on dynamic graphs in previous works. To model the temporal and interactive dynamics, respectively, we utilize the calendar-based time partitioning information and extract informative interaction embeddings for both bipartite and non-bipartite graphs using merely the sampled first-order neighbors. In addition, we jointly model temporal and interactive features by capturing potential changes in historical interaction patterns through a simple decomposition. We conduct extensive experiments on several dynamic graph datasets to verify the effectiveness and efficiency of TIDFormer. The experimental results demonstrate that TIDFormer excels, outperforming state-of-the-art models across most datasets and experimental settings. Furthermore, TIDFormer exhibits significant efficiency advantages compared to previous Transformer-based methods.
Authors: Bin Ma, Yuyuan Feng, Minhua Lin, Enyan Dai
Abstract: Graph Neural Networks (GNNs) have become essential tools for analyzing graph-structured data in domains such as drug discovery and financial analysis, leading to a growing demand for model transparency. Recent advances in explainable GNNs have addressed this need by revealing important subgraphs that influence predictions, but these explanation mechanisms may inadvertently expose these models to security risks. This paper investigates how such explanations potentially leak critical decision logic that can be exploited for model stealing. We propose {\method}, a novel stealing framework that integrates explanation alignment for capturing decision logic with guided data augmentation for efficient training under limited queries, enabling effective replication of both the predictive behavior and underlying reasoning patterns of target models. Experiments on molecular graph datasets demonstrate that our approach shows advantages over conventional methods in model stealing. This work highlights important security considerations for the deployment of explainable GNNs in sensitive domains and suggests the need for protective measures against explanation-based attacks. Our code is available at https://github.com/beanmah/EGSteal.
Authors: Zhiyuan Liu, Yicun Yang, Yaojie Zhang, Junjie Chen, Chang Zou, Qingyuan Wei, Shaobo Wang, Yichen Zhu, Linfeng Zhang
Abstract: Autoregressive Models (ARMs) have long dominated the landscape of Large Language Models. Recently, a new paradigm has emerged in the form of diffusion-based Large Language Models (dLLMs), which generate text by iteratively denoising masked segments. This approach has shown significant advantages and potential. However, dLLMs suffer from high inference latency. Traditional ARM acceleration techniques, such as Key-Value caching, are incompatible with dLLMs due to their bidirectional attention mechanism. To address this specific challenge, our work begins with a key observation that dLLM inference involves a static prompt and a partially dynamic response, where most tokens remain stable across adjacent denoising steps. Based on this, we propose dLLM-Cache, a training-free adaptive caching framework that combines long-interval prompt caching with partial response updates guided by feature similarity. This design enables efficient reuse of intermediate computations without compromising model performance. Extensive experiments on representative dLLMs, including LLaDA 8B and Dream 7B, show that dLLM-Cache achieves up to 9.1x FLOPs reduction on LongBench-HotpotQA while maintaining competitive output quality. Notably, our method brings dLLM inference latency close to that of ARMs under many settings. The code for this work is publicly available at: https://github.com/maomaocun/dLLM-cache.
Authors: Haiyang Yu, Yuchao Lin, Xuan Zhang, Xiaofeng Qian, Shuiwang Ji
Abstract: We consider the task of predicting Hamiltonian matrices to accelerate electronic structure calculations, which plays an important role in physics, chemistry, and materials science. Motivated by the inherent relationship between the off-diagonal blocks of the Hamiltonian matrix and the SO(2) local frame, we propose a novel and efficient network, called QHNetV2, that achieves global SO(3) equivariance without the costly SO(3) Clebsch-Gordan tensor products. This is achieved by introducing a set of new efficient and powerful SO(2)-equivariant operations and performing all off-diagonal feature updates and message passing within SO(2) local frames, thereby eliminating the need of SO(3) tensor products. Moreover, a continuous SO(2) tensor product is performed within the SO(2) local frame at each node to fuse node features, mimicking the symmetric contraction operation. Extensive experiments on the large QH9 and MD17 datasets demonstrate that our model achieves superior performance across a wide range of molecular structures and trajectories, highlighting its strong generalization capability. The proposed SO(2) operations on SO(2) local frames offer a promising direction for scalable and symmetry-aware learning of electronic structures. Our code will be released as part of the AIRS library https://github.com/divelab/AIRS.
Authors: Yanfang Hou, Carlos Fern\'andez-Lor\'ia
Abstract: Causal forests estimate how treatment effects vary across individuals, guiding personalized interventions in areas like marketing, operations, and public policy. A standard practice is honest estimation: dividing the data into two samples, one to define subgroups and another to estimate treatment effects within them. This is intended to reduce overfitting and is the default in many software packages. But is it the right choice? We show that honest estimation can reduce the accuracy of estimates of individual treatment effects, especially when effect heterogeneity is substantial and datasets are large enough to detect it. The reason is a bias-variance trade-off: honesty lowers the risk of overfitting but increases the risk of underfitting by limiting the data available to detect and model heterogeneity. Across more than 7,000 benchmark datasets, we find that the cost of using honesty by default can be as high as requiring 27% more data to match the performance of models trained without it. Honesty is best understood as a form of regularization. Whether to adopt it should depend on the goals of the application and its empirical performance, not on reflexive default use.
Authors: Deepak Kumar Panda, Adolfo Perrusquia, Weisi Guo
Abstract: Autonomous unmanned aerial vehicles (UAVs) increasingly rely on reinforcement learning (RL) for navigation. However, global navigation satellite system (GNSS) spoofing attacks can induce out-of-distribution observation shifts that corrupt value estimation and degrade mission performance. Existing robust RL approaches typically improve resilience against specific attack models but often fail to generalize to attacks not encountered during training. To address this limitation, we propose a curriculum-guided adaptation framework that progressively exposes a robust policy to gradient-based adversarial observation perturbations of increasing intensity while aligning temporal-difference (TD) error distributions across curriculum stages. Rather than adapting to a particular attack model, the proposed approach preserves TD-error consistency to promote transferability across attack conditions. We further derive a TD-space generalization certificate showing that if the TD-error distribution induced by a test-time attack remains sufficiently close to that of the final curriculum stage, the resulting performance degradation is bounded. The framework is evaluated in a UAV deconfliction environment with dynamic 3D obstacles under previously unseen fixed and dynamic GNSS spoofing attacks. Under fixed spoofing conditions, the curriculum-adapted policy achieved near-perfect mission success rates, compared with 20-56% for standard and robust RL baselines. Under dynamic obstacle-luring spoofing attacks, it achieved the highest episodic rewards while reducing mission completion steps by up to 45% across increasing aerial traffic densities.
Authors: Victor Letzelter, Hugo Malard, Mathieu Fontaine, Ga\"el Richard, Slim Essid, Andrei Bursuc, Patrick P\'erez
Abstract: We propose LoRA-MCL, a training scheme that extends next-token prediction in language models with a method designed to decode diverse, plausible sentence continuations at inference time. Traditional language modeling is an intrinsically ill-posed problem: given a context, multiple futures may be equally plausible. Our approach leverages Multiple Choice Learning (MCL) and the winner-takes-all loss to efficiently handle ambiguity through Low-Rank Adaptation. We provide a theoretical interpretation of applying MCL to language modeling, assuming the data is generated from a mixture of distributions. We illustrate the proposed approach using mixtures of Markov chains. We then demonstrate with experiments on audio and visual captioning, as well as machine translation, that our method achieves high diversity and relevance in generated outputs. We release the code for applying LoRA-MCL to a wide range of language models.
Authors: Bermet Burkanova, Yasaman Etesam, Payam Jome Yazdian, Trinity Evans, Chuxuan Zhang, Zoe Stanley, Paige Tutt\"os\'i, Angelica Lim
Abstract: Socially interactive humanoid robots must engage with humans through their bodies, adapting in real time to a partner's movement, intent, and abilities. This requires models that understand not just how bodies move, but what movement means in a shared social context. Yet evaluation frameworks for interactive motion generation do not measure whether generated follower motion is legible within a shared movement vocabulary, nor whether it is appropriate to the partner's proficiency level. This gap has two causes: existing frameworks rely on kinematic metrics such as FID and beat alignment that cannot measure either property, and existing datasets lack the move annotations and proficiency variation needed. Salsa is well-suited as an evaluation domain: improvised, dyadic, and governed by a move vocabulary and judging criteria covering timing, musicality, technique, difficulty, partnering, and originality. We present CoMPAS3D, a motion capture dataset of improvised partner salsa paired with an evaluation framework covering kinematic quality, two objective metrics (move legibility and proficiency appropriateness), and six competition-based subjective dimensions. The dataset includes 3 hours of improvisation by 18 dancers spanning beginner, intermediate, and professional levels, with over 2,800 expert-annotated segments covering move types, errors, and stylistic elements. We define three benchmarks: move classification (analogous to transcription), proficiency estimation (fluency assessment), and follower generation (dialogue response). Fine-tuned vision-language models perform strongly on objective metrics applied to ground-truth motion sequences. Applied to Duolando and InterGen, the metrics reveal failures that kinematic metrics miss. Human evaluations confirm the gap between generated and ground-truth motion. CoMPAS3D, annotations, benchmark code, and baseline results are publicly available.
Authors: Xueying Wu, Baijun Zhou, Zhihui Gao, Yuzhe Fu, Qilin Zheng, Yintao He, Hai Li
Abstract: Large language models (LLMs) have demonstrated impressive capabilities across a wide range of applications, but demand substantial memory and compute resources during inference. Existing quantization methods expose a trade-off between efficiency and accuracy: weight-only quantization (WOQ) incurs costly dequantization overheads, while integer weight-and-activation quantization (INT-WAQ) reduces precision and degrades model quality. Non-uniform weight-and-activation quantization (NU-WAQ) can better capture the non-uniform distributions of LLM weights and activations, yet remains incompatible with conventional low-precision compute units. This paper presents OASIS, a lookup table (LUT)-based architecture that enables efficient general matrix multiplication (GEMM) between non-uniformly quantized weights and activations without requiring dequantization. OASIS employs pre-computed Cartesian Product LUTs, achieving a 64x reduction in LUT size and enabling a 1024x higher computational parallelism over existing LUT-based GEMM methods. To preserve accuracy under aggressive activation quantization, OASIS introduces an outlier-aware quantization scheme with concurrent LUT-based GEMM and error compensation for outliers. Furthermore, we design Orizuru, an efficient top-k detection engine for real-time activation outlier identification. According to extensive evaluations, OASIS incurs an average accuracy drop of only 1.98% compared to the FP16 baseline, which is 5.18% lower than Atom. On the hardware side, OASIS achieves an average 3.00x speedup and a 1.44x energy efficiency improvement compared to the FIGLUT accelerator.
Authors: Yifu Luo, Yongzhe Chang, Xueqian Wang
Abstract: Diffusion probability models have shown significant promise in offline reinforcement learning by directly modeling trajectory sequences. However, existing approaches primarily focus on time-domain features while overlooking frequency-domain features, leading to frequency shift and degraded performance according to our observation. In this paper, we investigate the RL problem from a new perspective of the frequency domain. We first observe that time-domain-only approaches inadvertently introduce shifts in the low-frequency components of the frequency domain, which results in trajectory instability and degraded performance. To address this issue, we propose Wavelet Fourier Diffuser (WFDiffuser), a novel diffusion-based RL framework that integrates Discrete Wavelet Transform to decompose trajectories into low- and high-frequency components. To further enhance diffusion modeling for each component, WFDiffuser employs Short-Time Fourier Transform and cross attention mechanisms to extract frequency-domain features and facilitate cross-frequency interaction. Extensive experiment results on the D4RL benchmark demonstrate that WFDiffuser effectively mitigates frequency shift, leading to smoother, more stable trajectories and improved decision-making performance over existing methods.
Authors: Boshra Ariguib, Mathias Niepert, Andrei Manolache
Abstract: High-quality molecular representations are essential for property prediction and molecular design, yet large labeled datasets remain scarce. While self-supervised pretraining on molecular graphs has shown promise, many existing approaches either depend on hand-crafted augmentations or complex generative objectives, and often rely solely on 2D topology, leaving valuable 3D structural information underutilized. To address this gap, we introduce C-FREE (Contrast-Free Representation learning on Ego-nets), a simple framework that integrates 2D graphs with ensembles of 3D conformers. C-FREE learns molecular representations by predicting subgraph embeddings from their complementary neighborhoods in the latent space, using fixed-radius ego-nets as modeling units across different conformers. This design allows us to integrate both geometric and topological information within a hybrid Graph Neural Network (GNN)-Transformer backbone, without negatives, positional encodings, or expensive pre-processing. Pretraining on the GEOM dataset, which provides rich 3D conformational diversity, C-FREE achieves state-of-the-art results on MoleculeNet, surpassing contrastive, generative, and other multimodal self-supervised methods. Fine-tuning across datasets with diverse sizes and molecule types further demonstrates that pretraining transfers effectively to new chemical domains, highlighting the importance of 3D-informed molecular representations.
Authors: Fr\'ed\'eric Berdoz, Luca A. Lanzend\"orfer, Ren\'e Caky, Roger Wattenhofer
Abstract: Alignment of large language models remains a central challenge in natural language processing. Preference optimization has emerged as a popular and effective method for improving alignment, typically through training-time or prompt-based interventions. In this paper, we introduce alignment-aware decoding (AAD), a method to enhance model alignment directly at inference. Theoretically, AAD can be interpreted as implicit reward optimization, yet it requires no specialized training beyond the standard DPO setup. Empirically, AAD consistently outperforms strong baselines across diverse alignment benchmarks and model scales. Moreover, in data-constrained settings, AAD can produce high-quality synthetic data to improve alignment under standard decoding, providing a practical solution when labeled data is limited.
Authors: Yuanfan Li, Yunwen Lei, Zheng-Chu Guo, Yiming Ying
Abstract: Recent advances have significantly improved our understanding of the generalization performance of gradient descent (GD) methods in deep neural networks. A natural and fundamental question is whether GD can achieve generalization rates comparable to the minimax optimal rates established in the kernel setting. Existing results either yield suboptimal rates of $O(1/\sqrt{n})$, or focus on networks with smooth activation functions, incurring exponential dependence on network depth $L$. In this work, we establish optimal generalization rates for GD with deep ReLU networks by carefully trading off optimization and generalization errors, achieving only polynomial dependence on depth. Specifically, under the assumption that the data are NTK separable from the margin $\gamma$, we prove an excess risk rate of $\widetilde{O}(L^6 / (n \gamma^2))$, which aligns with the optimal SVM-type rate $\widetilde{O}(1 / (n \gamma^2))$ up to depth-dependent factors. A key technical contribution is our novel control of activation patterns near a reference model, enabling a sharper Rademacher complexity bound for deep ReLU networks trained with gradient descent.
Authors: Chuyi Tan, Peiwen Yuan, Xinglin Wang, Yiwei Li, Shaoxiong Feng, Yueqi Zhang, Jiayi Shi, Ji Zhang, Boyuan Pan, Yao Hu, Kan Li
Abstract: Reinforcement learning with verifiable rewards (RLVR) efficiently scales the reasoning ability of large language models (LLMs) but is bottlenecked by scarce labeled data. Reinforcement learning with intrinsic rewards (RLIR) offers a scalable alternative via self-rewarding, yet often suffers from instability and inferior performance. We trace this gap to a systemic bias in confidence-coupled self-rewarding: the model tends to over-reward high-confidence mistakes, forming a self-confirming loop. We quantify this feedback-loop bias with three metrics: reward noise magnitude (rho_noise), policy-reward coupling (rho_selfbias), and over-/under-reward skew (rho_symbias). Our analyses show a compounding effect where strong coupling amplifies confidence-conditioned errors and drives a drift toward over-reward, leading to instability and a lower performance ceiling. To mitigate this, we propose reinforcement learning with ensembled rewards (RLER), which aggregates diverse models with adaptive reward interpolation and disagreement-aware rollout selection to reduce coupling and suppress over-reward drift. Extensive experiments show that RLER improves by 6.2% over the best RLIR baseline and is within 3.6% of RLVR, while exhibiting stable scaling on unlabeled samples.
Authors: Emmanuelle Claeys, Elena Kerjean, Jean-Michel Loubes
Abstract: This work introduces MAYA, a sequential imitation learning model based on multi-armed bandits, designed to reproduce and predict individual bees' decisions in contextualized foraging tasks. The model accounts for bees' limited memory through a temporal window $\tau$, whose optimal value is around 7 trials, with a slight dependence on weather conditions. Experimental results on real, simulated, and complementary (mice) datasets show that MAYA (particularly with the Wasserstein distance) outperforms imitation baselines and classical statistical models, while providing interpretability of individual learning strategies and enabling the inference of realistic trajectories for prospective ecological applications.
Authors: Ghadi Nehme, Yanxia Zhang, Dule Shu, Matt Klenk, Faez Ahmed
Abstract: Generating high-fidelity 3D geometries under explicit parameter constraints is central to engineering design, yet current methods often require large datasets and fail to provide reliable control beyond the training distribution. We introduce LAMP, a data-efficient framework for controllable and interpretable 3D generation that aligns signed distance function (SDF) decoders by overfitting each exemplar from a shared initialization, then generates new designs by solving a parameter-constrained affine mixing problem in the aligned weight space. To improve reliability, we propose a linearity-mismatch safety metric that detects when mixed decoders leave the valid local regime. We evaluate LAMP on DrivAerNet++, BlendedNet, and additional industry-level vehicle families, including sports cars, SUVs, and convertibles. LAMP enables controlled interpolation with as few as 50 samples, safe extrapolation up to 100% beyond training ranges, and performance-guided optimization under fixed parameters, outperforming conditional autoencoder and Deep Network Interpolation (DNI) baselines in extrapolation, data efficiency, and parameter fidelity. Our results demonstrate that LAMP advances controllable, data-efficient, and safe 3D generation for design exploration, dataset generation, and performance-driven optimization.
Authors: Yuhan Yang, Xingbo Fu, Jundong Li
Abstract: Self-supervised pre-training on unlabeled graph data has become a common paradigm for Graph Neural Networks (GNNs). However, an objective gap often remains between pre-training objectives and downstream tasks. To bridge this gap, graph prompting methods adapt frozen pre-trained GNNs to specific downstream tasks through learnable prompts. Despite its effectiveness, most existing graph prompting methods primarily focus on improving model performance and largely overlook fairness concerns. As downstream graph data inherently contains biases in both node attributes and graph structures, pre-trained GNNs may produce representations that differ across demographic subgroups. To address this limitation, we propose Adaptive Dual Prompting (ADPrompt), a fairness-aware graph prompting framework for adapting pre-trained GNNs. ADPrompt incorporates two complementary components: Adaptive Feature Rectification, which learns personalized attribute prompts to suppress sensitive information at the input level, and Adaptive Message Calibration, which introduces layer-wise structure prompts to dynamically regulate information propagation from neighboring nodes. By jointly optimizing these two modules, ADPrompt adapts the pre-trained GNN while mitigating both attribute-level and structural bias. Experiments on four benchmark datasets with multiple pre-training strategies demonstrate that ADPrompt consistently outperforms seven competitive baselines in node classification tasks.
Authors: Andreas Grivas, Lorenzo Loconte, Emile van Krieken, Piotr Nawrot, Yu Zhao, Euan Wielewski, Pasquale Minervini, Edoardo Ponti, Antonio Vergari
Abstract: Multi-token prediction (MTP) is a prominent strategy to significantly speed up generation in large language models (LLMs), especially in byte-level LLMs, which are tokeniser-free but prohibitively slow. However, many existing MTP methods either assume independence between future tokens, sacrificing expressiveness, or generate tokens one at a time within the window, increasing latency. In this work, we investigate the trade-off between expressiveness and latency in MTP within the framework of probabilistic circuits (PCs). Our framework, MTPC, allows one to explore different ways to encode the joint distributions over future tokens by selecting circuit architectures, generalising classical models such as (hierarchical) mixture models, hidden Markov models, and tensor networks. We show the efficacy of MTPC by retrofitting existing byte-level LLMs, such as EvaByte, and byte-fied subword models, such as Llama3.2 3B. Our experiments show that, when combined with speculative decoding, MTPC substantially speeds up generation compared to MTP with independence assumptions, while guaranteeing to retain the performance of the original verifier LLM. We also rigorously study the optimal trade-off between expressiveness and latency when exploring the possible parameterisations of MTPC, such as PC architectures and partial layer sharing between the verifier and draft LLMs.
Authors: Chengdong Ma, Th\'eo Tao Zhaowei, Pengyu Li, Minghao Liu, Haojun Chen, Zihao Mao, Bo Li, Yuan Cheng, Yuan Qi, Yaodong Yang
Abstract: Since Isaac Newton first studied the Kissing Number Problem in 1694, determining the maximal number of non-overlapping spheres around a central sphere has remained a defining challenge in discrete geometry. As the local analogue of Hilbert's 18th problem, it has profound implications across geometry, number theory and information theory. Although lattices and codes have achieved significant progress, the field is confined to isolated extremal configurations, leaving underlying geometric principles obscured. Here we shift the object to the broader extremal configuration space, thereby opening a new path for the Kissing Number Problem. Accordingly, we recast this problem as a cooperative matrix-completion game, and train a reinforcement learning system, PackingStar, to solve it. One player fills cosine entries while the other corrects suboptimal ones, making explosive geometric complexity tractable. Working within extremal configuration spaces, PackingStar discovers new interpretable geometric structures that improve 15 strong bounds held for decades in kissing numbers and their generalizations, several of them provably optimal under natural inner products. These findings reveal the first explicit spherical-code realization of the Fischer group Fi22, extend the classical Euclidean representation of subgroup structure, and directly inspire subsequent breakthroughs by mathematicians. Overall, the work provides an early example of AI-driven progress on a Hilbert-calibre problem, showing how reinforcement learning advances mathematical discovery by unlocking more expressive objects.
Authors: Yujia Wang, Yuanpu Cao, Jinghui Chen
Abstract: Federated learning (FL) has been extensively studied as a privacy-preserving training paradigm. Recently, federated block coordinate descent scheme has become a popular option in training large-scale models, as it allows clients to train only a subset of the model locally instead of the entire model. However, in the era of large language models (LLMs), even a single block can contain a significant number of parameters, posing substantial communication latency, particularly for resource-constrained clients. To address this challenge in federated training/fine-tuning LLMs, we propose ParaBlock, a novel approach that establishes two parallel threads for communication and computation to enhance communication efficiency. We theoretically prove that the proposed ParaBlock achieves the same convergence rate as the standard federated block coordinate descent methods. Empirical evaluations on fine-tuning LLMs on general instruction following and mathematical reasoning confirm that ParaBlock not only maintains strong performance but also significantly improves communication efficiency.
Authors: Hamid Dadkhahi, Firas Trabelsi, Parker Riley, Juraj Juraska, Mehdi Mirzazadeh
Abstract: Thinking Large Language Models (LLMs) used as judges for pairwise preferences remain noisy at the single-sample level, and common aggregation rules (majority vote, soft self-consistency, or instruction-based self-aggregation) are inconsistent when ties are allowed. We study inference-time compute (ITC) for evaluators that generate n independent thinking--rating samples per item, and propose a principled, distribution-calibrated aggregation scheme. Our method models three-way preferences with a Bradley-Terry-Davidson formulation on rating counts, leveraging both polarity (margin among non-ties) and decisiveness (non-tie rate) to distinguish narrow margins from strong consensus. Across various evaluation benchmarks, our approach consistently reduces MAE and increases pairwise accuracy versus standard baselines, and when evaluated against human-consensus meta-labels, matches or exceeds individual human raters. These results show that carefully allocating ITC and aggregating with distribution-aware methods turns noisy individual model judgments into reliable ratings for evaluation.
Authors: Metod Jazbec, Theo X. Olausson, Louis B\'ethune, Pierre Ablin, Michael Kirchhof, Jo\~ao Monteiro, Victor Turrisi, Jason Ramapuram, Marco Cuturi
Abstract: Diffusion (Large) Language Models (dLLMs) now match the downstream performance of their autoregressive counterparts on many tasks, while holding the promise of being more efficient during inference. One critical design aspect of dLLMs is the sampling procedure that selects which tokens to unmask at each diffusion step. Indeed, recent work has found that heuristic strategies such as confidence thresholding improve both sample quality and token throughput compared to random unmasking. However, such heuristics have downsides: they require manual tuning, and we observe that their performance degrades with larger block sizes. In this work, we instead propose to train sampling procedures using reinforcement learning. Specifically, we formalize masked diffusion sampling as a Markov decision process in which the dLLM serves as the environment, and propose a lightweight policy based on a single-layer transformer that maps dLLM token confidences to unmasking decisions. Our experiments show that these trained policies match the performance of state-of-the-art heuristics when combined with semi-autoregressive (block) generation, while outperforming them in the full-diffusion setting.
Authors: Xiaojie Xia, Huigang Zhang, Chaoliang Zhong, Jun Sun, Yusuke Oishi
Abstract: Transformer architectures deliver state-of-the-art accuracy via dense full-attention, but their quadratic time and memory complexity with respect to sequence length limits practical deployment. Linear attention mechanisms offer linear or near-linear scaling yet often incur performance degradation. Hybrid models that integrate full and linear attention layers promise a balance between efficiency and expressiveness, but face two major challenges: training such hybrid models from scratch is computationally expensive, and manually designing the optimal placement of attention types is highly nontrivial. We propose DtR (Distill-then-Replace), which first transfers weights from the pretrained full-attention modules to its linear attention counterparts through blockwise local distillation, and then applies a greedy layer replacement strategy that iteratively substitutes full attention blocks with linear ones while monitoring validation performance on the target task. DtR yields a task-specific hybrid model in a single efficient pass, without costly re-training or neural architecture search, and can be applied to any pretrained full-attention backbone for diverse downstream tasks.
Authors: Megha Khosla
Abstract: Graph neural networks (GNNs) are widely used for tasks such as node classification and link prediction, but their use in sensitive settings raises concerns about training-data leakage. Prior work on privacy leakage in GNNs largely borrows assumptions from non-graph domains, overlooking the role of graph structure. We argue for a graph-specific analysis of privacy risk and study how graph structure affects node-level membership inference. We formalize membership inference (MI) over node-neighborhood tuples and investigate two important dimensions: (i) training-graph construction and (ii) inference-time edge access. We compare snowball sampling, a structure-aware procedure, with uniform random node sampling for constructing training graphs. Our experiments show that snowball sampling often hurts generalization relative to random sampling due to its coverage bias. In contrast, allowing access to inter-train-test edges at inference improves test accuracy, reduces the train-test gap, while also having a strong and setting-dependent effect on membership advantage. These results show that graph structure directly shapes privacy risk. We further show that the generalization gap, measured as the performance difference between training and test nodes, is an incomplete proxy for membership inference risk: membership advantage can rise or fall independently of changes in this gap, with inference-time edge access often playing a crucial role. Theoretically, we show that for node-level tasks, standard privacy-auditing results based on membership inference do not directly carry over to inductive graph settings, because training and test nodes are structurally dependent rather than interchangeable. We release the code and data at https://github.com/PriXAI/GraphStructurePrivacyAnalysis-public.
URLs: https://github.com/PriXAI/GraphStructurePrivacyAnalysis-public.
Authors: Zihao Wang, Hang Yin, Lihui Liu, Hanghang Tong, Yangqiu Song, Ginny Wong, Simon See
Abstract: This paper studies the Minimal Embeddable Dimension (MED): the least dimension in which there exists a configuration of $m$ object vectors so that every subset of size at most $k$ is exactly retrieved by score comparison. Our result shows MED is $\Theta(k)$, independent of $m$, for inner product, Euclidean distance, and cosine similarity. We then consider Robust MED (RMED), where all vectors are unit normed and an $\epsilon$ gap of scores is required. We derive the $m$-dependent feasibility ceiling $\epsilon_\star(m,k)=m/\sqrt{k(m-1)(m-k)}$, which approaches $1/\sqrt{k}$ when $m\gg k$, and a Gaussian centroid construction gives a robust witness upper bound in the feasible margin regime. Numerical simulation on synthetic top-$2$ retrieval with cyclic polytope and centroid query optimization confirmed our theoretical claims. Experiments on LIMIT and LIMIT-small datasets also show that simple embedding-based retrieval baselines can overfit and outperform the reported single-vector LLM embedding baseline. Both theoretical and empirical findings rule out the lack of exact geometric capacity as the obstruction.
Authors: Wu S. Zihan, Ariane Delrocq, Wulfram Gerstner, Guillaume Bellec
Abstract: While end-to-end self-supervised learning with backpropagation (global BP-SSL) has become central for training modern AI systems, theories of local self-supervised learning (local-SSL) have struggled to build functional representations in deep neural networks. To establish a link between global and local rules, we first develop a theory for deep linear networks: we identify conditions for local-SSL algorithms (like Forward-forward or CLAPP) to implement exactly the same weight update as a global BP-SSL. Starting from the theoretical insights, we then develop novel variants of local-SSL algorithms to approximate global BP-SSL in deep non-linear convolutional neural networks. Variants that improve the similarity between gradient updates of local-SSL with those of global BP-SSL also show better performance on image datasets (CIFAR-10, STL-10, and Tiny ImageNet). The best local-SSL rule with the CLAPP loss function matches the performance of a comparable global BP-SSL with InfoNCE or CPC-like loss functions, and improves upon state-of-the-art for local SSL on these benchmarks.
Authors: Jing Jia, Wei Yuan, Sifan Liu, Liyue Shen, Guanyang Wang
Abstract: Can a diffusion model trained on bedrooms recover human faces? Diffusion models are widely used as priors for inverse problems, but standard approaches usually assume a high-fidelity model trained on data that closely match the unknown signal. In practice, one often must use a mismatched or low-fidelity diffusion prior. Surprisingly, these weak priors often perform nearly as well as full-strength, in-domain baselines. We study when and why inverse solvers are robust to weak diffusion priors. Through extensive experiments, we find that weak priors succeed when measurements are highly informative (e.g., many observed pixels), and we identify regimes where they fail. To explain this behavior, we combine Bayesian-consistency theory with local-correlation analysis: the theory gives conditions under which high-dimensional measurements make the posterior concentrate near the true signal, while the correlation analysis shows that weak and stronger natural-image priors can share similar local spatial structure. These results provide a principled justification on when weak diffusion priors can be used reliably. Code is available at https://github.com/jjia131/weak-diffusion-priors-inverse-problem.
URLs: https://github.com/jjia131/weak-diffusion-priors-inverse-problem.
Authors: Hanwei Tan, Wentai Wu, Ligang He, Yijun Quan
Abstract: Federated unlearning (FU) aims to erase designated client-level, class-level, or sample-level knowledge from a global model. Existing studies commonly assume that the collaboration ends with the unlearning operation, overlooking the follow-up situation where federated training continues over the remaining data. We identify a critical failure mode, termed knowledge resurfacing, by revealing that continued training can re-activate unlearned knowledge and cause the removed influence to resurface in the global model. To address this, we propose Lethe, a novel federated unlearning method that de-correlates knowledge to be unlearned from knowledge to be retained, ensuring persistent erasure during continued training. Lethe follows a Reshape--Rectify--Restore pipeline: a temporary adapter is first trained with gradient ascent on the unlearning data to obtain magnified updates, which are then used as corrective signals to guide layer-wise rectification of the remaining updates in two streams. Finally, the adapter is removed, and a short recovery stage is performed on the retained data. Our experiments show that Lethe supports unlearning at all levels in federated systems in a unified manner and maintains superior persistence, with a resurfacing rate below 1% in most cases, even after numerous rounds of follow-up training.
Authors: \.Ilker I\c{s}{\i}k, Wenchao Li
Abstract: Current neural architectures lack a principled way to handle interchangeable tokens, i.e., symbols that are semantically equivalent yet distinguishable, such as bound variables. As a result, models trained on fixed vocabularies often struggle to generalize to unseen symbols, even when the underlying semantics remain unchanged. We propose a novel Transformer-based mechanism that is provably invariant to the renaming of interchangeable tokens. Our approach employs parallel embedding streams to isolate the contribution of each interchangeable token in the input, combined with an aggregated attention mechanism that enables structured information sharing across streams. Experimental results confirm the theoretical guarantees of our method and demonstrate substantial performance gains on open-vocabulary tasks that require generalization to novel symbols. Project page: https://bu-depend-lab.github.io/Symbol-Invariant-Transformer/
URLs: https://bu-depend-lab.github.io/Symbol-Invariant-Transformer/
Authors: Arjun Rao, Ruth Crasto, Tessa Ooms, David Rolnick, Konstantin Klemmer, Marc Ru{\ss}wurm
Abstract: Geographic data is fundamentally local. Disease outbreaks cluster in population centers, ecological patterns emerge along coastlines, and economic activity concentrates within country borders. Machine learning models that encode geographic location, however, distribute representational capacity uniformly across the globe, struggling at the fine-grained resolutions that localized applications require. We propose a geographic location encoder built from spherical Slepian functions that concentrate representational capacity inside a region-of-interest and scale to high resolutions without extensive computational demands. For settings requiring global context, we present a hybrid Slepian-Spherical Harmonic encoder that efficiently bridges the tradeoff between local-global performance, while retaining desirable properties such as pole-safety and spherical-surface-distance preservation. Across five tasks spanning classification, regression, and image-augmented prediction, Slepian encodings outperform baselines and retain performance advantages across a wide range of neural network architectures.
Authors: Quang-Huy Nguyen, Jiaqi Wang, Wei-Shinn Ku
Abstract: Single-cell integration workflows often construct low-dimensional cell embeddings and then refine them with post-hoc methods to reduce batch effects. This refinement process can become unstable when cell-type compositions vary across batches, with some populations underrepresented or absent in particular batches. The problem becomes more consequential in dynamic single-cell data systems, where newly acquired batches can change both technical conditions and cell-type composition. Such instability can reduce downstream cell-type classification performance and weaken stability under imbalance perturbations. We introduce scBatchProx, a lightweight post-hoc refinement method for stabilizing single-cell latent embeddings in these heterogeneous and evolving settings. scBatchProx operates directly on precomputed embeddings and treats each batch or study as a client in a federated-inspired optimization procedure. A batch-conditioned FiLM adapter learns local latent updates, while proximal and identity-preserving regularization keep these updates conservative. Experiments on multi-batch and cross-study single-cell datasets show that scBatchProx improves downstream cell-type classification across different upstream embeddings. In controlled imbalance perturbations, scBatchProx maintains more stable affected-cell-type F1 when selected populations are downsampled or ablated from one batch. In cumulative retraining and continual integration settings, scBatchProx remains effective as new datasets arrive over time. Together, these results suggest that conservative, federated-inspired refinement can help maintain stable single-cell embeddings as batch compositions change across datasets and over time.
Authors: Hugo Math, Rainer Lienhart
Abstract: Autoregressive models trained via next-token prediction implicitly learn the conditional independence structure of their data-generating process. We exploit this observation to perform scalable causal discovery from a single observed sequence of discrete events -- without any task-specific retraining. Such single-stream settings arise naturally in vehicle diagnostics, manufacturing systems, and patient trajectories, yet they remain largely unsolved: the absence of repeated samples, massive event vocabularies, and long-range temporal dependencies render existing methods either inaccurate or computationally intractable. We introduce TRACE, a framework that repurposes any pretrained autoregressive model as a density estimator for conditional mutual information, the fundamental primitive for conditional independence testing. By constructing parallelized CI tests on GPUs, TRACE recovers both the sample-level time causal graph and its summary projection, scaling linearly with the vocabulary size while naturally handling delayed causal effects. Crucially, we prove that minimizing the standard cross-entropy pretraining loss directly minimizes an upper bound on the causal identification error, establishing a duality between sequence prediction and causal discovery. On nonlinear SCMs (|X| = 8000) and real-world vehicle diagnostic logs (|X| = 29100), TRACE is the first applicable method at this scale, outperforming the strongest baseline by over 20 F1 points.
Authors: Edwin V. Bonilla, He Zhao, Daniel M. Steinberg
Abstract: We propose causal preference elicitation, a Bayesian framework for expert-in-the-loop causal discovery that actively queries local edge relations to concentrate a posterior over directed acyclic graphs (DAGs). From any black-box observational posterior, we model noisy expert judgments with a three-way likelihood over edge existence and direction. Posterior inference uses a flexible particle approximation, and queries are selected by an efficient expected information gain criterion on the expert's categorical response. Experiments on synthetic graphs, protein signaling data, and a human gene perturbation benchmark show faster posterior concentration and improved recovery of directed effects under tight query budgets.
Authors: Mingyi Li, Taira Tsuchiya, Kenji Yamanishi
Abstract: This work studies online episodic tabular Markov decision processes (MDPs) with known transitions and develops best-of-both-worlds algorithms that achieve refined data-dependent regret bounds in the adversarial regime and variance-dependent regret bounds in the stochastic regime. We quantify MDP complexity using a first-order quantity and several new data-dependent measures for the adversarial regime, including a second-order quantity and a path-length measure, as well as variance-based measures for the stochastic regime. To adapt to these measures, we develop algorithms based on global optimization and policy optimization, both built on optimistic follow-the-regularized-leader with log-barrier regularization. For global optimization, our algorithms achieve first-order, second-order, and path-length regret bounds in the adversarial regime, and in the stochastic regime, they achieve a variance-aware gap-independent bound and a variance-aware gap-dependent bound that is polylogarithmic in the number of episodes. For policy optimization, our algorithms achieve the same data- and variance-dependent adaptivity, up to a factor of the episode horizon, by exploiting a new optimistic $Q$-function estimator. Finally, we establish regret lower bounds in terms of data-dependent complexity measures for the adversarial regime and a variance measure for the stochastic regime, implying that the regret upper bounds achieved by the global-optimization approach are nearly optimal.
Authors: Anthony Fuller, James R. Green, Evan Shelhamer
Abstract: Model soups are strange and strangely effective combinations of parameters. They take a model (the stock), fine-tune it into multiple models (the ingredients), and then mix their parameters back into one model (the soup) to improve predictions. While all known soups require supervised learning, and optimize the same loss on labeled data, our recipes for Self-Soupervision generalize soups to self-supervised learning (SSL). Our Self-Souping lets us flavor ingredients on new data sources, e.g. from unlabeled data from a task for transfer or from a shift for robustness. We show that Self-Souping on corrupted test data, then fine-tuning back on uncorrupted train data, boosts robustness by +3.5% (ImageNet-C) and +7% (LAION-C). Self-Soupervision also unlocks countless SSL algorithms to cook the diverse ingredients needed for more robust soups. We show for the first time that ingredients can differ in their SSL hyperparameters -- and more surprisingly, in their SSL algorithms. We cook soups of MAE, MoCoV3, MMCR, and LeJEPA ingredients that are more accurate than any single SSL ingredient.
Authors: Dikshant Shehmar, Matthew Schlegel, Matthew E. Taylor, Marlos C. Machado
Abstract: Planning with a learned model remains a key challenge in model-based reinforcement learning (RL). In decision-time planning, state representations are critical as they must support local cost computation while preserving long-horizon structure. In this paper, we show that the Laplacian representation provides an effective latent space for planning by capturing state-space distances at multiple time scales. This representation preserves meaningful distances and naturally decomposes long-horizon problems into subgoals, also mitigating the compounding errors that arise over long prediction horizons. Building on these properties, we introduce ALPS, a hierarchical planning algorithm, and demonstrate that it outperforms commonly used baselines on a selection of offline goal-conditioned RL tasks from OGBench, a benchmark previously dominated by model-free methods.
Authors: Davide Gallon, Philippe von Wurstemberger, Patrick Cheridito, Arnulf Jentzen
Abstract: We propose physics-informed spectral diffusion (PISD), a methodology that combines generative latent diffusion models with physics-informed machine learning to generate solutions of partial differential equations (PDEs) conditioned on partial observations, which includes, in particular, forward and inverse PDE problems. We learn the joint distribution of PDE parameters and solutions via a diffusion process in a latent space of scaled spectral representations, where Gaussian noise corresponds to functions with controlled regularity. This spectral formulation enables significant dimensionality reduction compared to grid-based diffusion models and ensures that the induced process in function space remains within a class of functions for which the PDE operators are well defined. Building on diffusion posterior sampling, we enforce physics-informed constraints and measurement conditions during inference, applying Adam-based updates at each diffusion step. We evaluate the proposed approach on Poisson, Helmholtz, and incompressible Navier-Stokes equations, demonstrating improved accuracy and computational efficiency compared with existing diffusion-based PDE solvers, which are state of the art for sparse observations. Code is available at https://github.com/deeplearningmethods/PISD.
Authors: Ruomeng Ding, Tianwei Gao, Thomas P. Zollo, Eitan Bachmat, Richard Zemel, Zhun Deng
Abstract: Eliciting information to reduce uncertainty about latent group-level properties from surveys and other collective assessments requires allocating limited questioning effort under real costs and missing data. Although large language models enable adaptive, multi-turn interactions in natural language, most existing elicitation methods optimize what to ask with a fixed respondent pool, and do not adapt respondent selection or leverage population structure when responses are partial or incomplete. To address this gap, we study adaptive group elicitation, a multi-round setting where an agent adaptively selects both questions and respondents under explicit query and participation budgets. We propose a theoretically grounded framework that combines (i) an LLM-based expected information gain objective for scoring candidate questions with (ii) heterogeneous graph neural network propagation that aggregates observed responses and participant attributes to impute missing responses and guide per-round respondent selection. This closed-loop procedure queries a small, informative subset of individuals while inferring population-level responses via structured similarity. Across three real-world opinion datasets, our method consistently improves population-level response prediction under constrained budgets, including a >12% relative gain on CES at a 10% respondent budget.
Authors: Akira Sakai, Yuma Ichikawa
Abstract: Sub-bit model compression targets storage below one bit per weight; as magnitudes are aggressively compressed, the sign bit becomes a fixed-cost bottleneck. Across Transformers, CNNs, and MLPs, learned sign matrices resist low-rank approximation and are spectrally indistinguishable from an i.i.d. Rademacher baseline. This randomness gives rise to the lower bound of sub-bit model compression -- the one-bit wall. Despite this apparent randomness, most weights retain their initialization signs; flips primarily occur via rare near-zero boundary crossings, suggesting that sign-pattern randomness is largely inherited from initialization. We formalize this behavior with sign lock-in theory, a stopping-time analysis of sign flips under SGD noise. Under bounded updates and a rare re-entry condition into a small neighborhood of zero, the number of effective sign flips exhibits a geometric tail. Building on this mechanism, we introduce a from-scratch low-rank sign-template training method that prevents the emergence of this one-bit wall.
Authors: Tong Guan, Sheng Pan, Johan Barthelemy, Zhao Li, Yujun Cai, Cesare Alippi, Ming Jin, Shirui Pan
Abstract: Recent time series modeling faces a sharp divide between numerical generation and semantic understanding, with research showing that generation models often rely on superficial pattern matching, while understanding-oriented models struggle with high-fidelity numerical output. Although unified multimodal models (UMMs) have bridged this gap in vision, their potential for time series remains untapped. We propose TimeOmni-VL, the first vision-centric framework that unifies time series understanding and generation through two key innovations: (1) Fidelity-preserving bidirectional mapping between time series and images (Bi-TSI), which advances Time Series-to-Image (TS2I) and Image-to-Time Series (I2TS) conversions to ensure near-lossless transformations. (2) Understanding-guided generation. We introduce TSUMM-Suite, a novel dataset consisting of six understanding tasks rooted in time series analytics and coupled with two generation tasks. With a calibrated Chain-of-Thought, TimeOmni-VL is the first to leverage time series understanding as an explicit control signal for high-fidelity generation. Experiments confirm that this unified approach significantly improves semantic understanding and numerical precision, establishing a new frontier for multimodal time series modeling.
Authors: Benjamin Honor\'e, Alba Carballo-Castro, Yiming Qin, Pascal Frossard
Abstract: Equivariance is central to graph generative models, as it ensures the model respects the permutation symmetry of graphs. However, strict equivariance can increase computational cost due to added architectural constraints, and can slow down convergence because the model must be consistent across a large space of possible node permutations. We study this trade-off for graph generative models. Specifically, we start from an equivariant discrete flow-matching model, and relax its equivariance during training via a controllable symmetry modulation scheme based on sinusoidal positional encodings and node permutations. Experiments first show that symmetry-breaking can accelerate early training by providing an easier learning signal, but at the expense of encouraging shortcut solutions that can cause overfitting, where the model repeatedly generates graphs that are duplicates of the training set. On the contrary, properly modulating the symmetry signal can delay overfitting while accelerating convergence, allowing the model to reach stronger performance with $19\%$ of the baseline training epochs.
Authors: Seongjin Cha, Gyuwan Kim, Dongsu Han, Tao Yang, Insu Han
Abstract: Self-speculative decoding (SSD) accelerates LLM inference by skipping layers to create an efficient draft model, yet existing methods often rely on static heuristics that ignore the dynamic computational overhead of attention in long-context scenarios. We propose KnapSpec, a training-free framework that reformulates draft model selection as a knapsack problem to maximize tokens-per-time throughput. By decoupling Attention and MLP layers and modeling their hardware-specific latencies as functions of context length, KnapSpec adaptively identifies optimal draft configurations on the fly via a parallel dynamic programming algorithm. Furthermore, we provide the first rigorous theoretical analysis establishing cosine similarity between hidden states as a mathematically sound proxy for the token acceptance rate. This foundation allows our method to maintain high drafting faithfulness while navigating the shifting bottlenecks of real-world hardware. Our experiments on Qwen3 and Llama3 demonstrate that KnapSpec consistently outperforms state-of-the-art SSD baselines, achieving up to 1.47x wall-clock speedup across various benchmarks. Our plug-and-play approach ensures high-speed inference for long sequences without requiring additional training or compromising the target model's output distribution.
Authors: Weixin Chen, Han Zhao
Abstract: Concept Bottleneck Models (CBMs) enhance the interpretability of end-to-end neural networks by introducing a layer of concepts and predicting the class label from the concept predictions. A key property of CBMs is that they support interventions, i.e., domain experts can correct mispredicted concept values at test time to improve the final accuracy. However, typical CBMs apply interventions by overwriting only the corrected concept while leaving other concept predictions unchanged, which ignores causal dependencies among concepts. To address this, we propose the Causal Neural Probabilistic Circuit (CNPC), which combines a neural attribute predictor with a causal probabilistic circuit compiled from a causal graph. This circuit supports exact, tractable causal inference that inherently respects causal dependencies. Under interventions, CNPC models the class distribution based on a Product of Experts (PoE) that fuses the attribute predictor's predictive distribution with the interventional marginals computed by the circuit. We theoretically characterize the compositional interventional error of CNPC w.r.t. its modules and identify conditions under which CNPC closely matches the ground-truth interventional class distribution. Experiments on five benchmark datasets in both in-distribution and out-of-distribution settings show that, compared with five baseline models, CNPC achieves higher task accuracy across different numbers of intervened attributes.
Authors: Harin Lee, Kevin Jamieson
Abstract: We study reinforcement learning with delayed state observation, where the agent observes the current state after some random number of time steps. We propose an algorithm that combines the augmentation method and the upper confidence bound approach. For tabular Markov decision processes (MDPs), we derive a regret bound of $\tilde{\mathcal{O}}(H \sqrt{D_{\max} SAK})$, where $S$ and $A$ are the cardinalities of the state and action spaces, $H$ is the time horizon, $K$ is the number of episodes, and $D_{\max}$ is the maximum length of the delay. We also provide a matching lower bound up to logarithmic factors, showing the optimality of our approach. Our analytical framework formulates this problem as a special case of a broader class of MDPs, where their transition dynamics decompose into a known component and an unknown but structured component. We establish general results for this abstract setting, which may be of independent interest.
Authors: William Merrill, Hongjian Jiang, Yanhong Li, Anthony Lin, Ashish Sabharwal
Abstract: The community is increasingly exploring linear RNNs (LRNNs) as language models, motivated by their expressive power and parallelizability. While prior work establishes the expressivity benefits of LRNNs over transformers, it is unclear what makes LRNNs -- but not traditional, nonlinear RNNs -- as easy to parallelize in practice as transformers. We answer this question by providing a tight connection between types of RNNs and standard complexity classes. We show that LRNNs can be viewed as log-depth (bounded fan-in) arithmetic circuits, which represents only a slight depth overhead relative to log-depth boolean circuits that transformers admit. Furthermore, we show that nonlinear RNNs can solve $\mathsf{L}$-complete problems (and even $\mathsf{P}$-complete ones, under polynomial precision), revealing a fundamental barrier to parallelizing them as efficiently as transformers. Our theory also identifies fine-grained expressivity differences between recent popular LRNN variants: permutation-diagonal LRNNs are $\mathsf{NC}^1$-complete whereas diagonal-plus-low-rank LRNNs are more expressive ($\mathsf{PNC}^1$-complete). We provide further insight by associating each type of RNN with a corresponding automata-theoretic model that it can simulate. Together, our results reveal fundamental tradeoffs between nonlinear RNNs and different variants of LRNNs, providing a foundation for designing LLM architectures that achieve an optimal balance between expressivity and parallelism.
Authors: Egor Lifar, Semyon Savkin, Or Ordentlich, Yury Polyanskiy
Abstract: This paper considers the problem of converting a given dense linear layer to low precision. The tradeoff between compressed length and output discrepancy is analyzed information theoretically (IT). It is shown that a popular GPTQ algorithm may have an arbitrarily large gap to the IT limit. To alleviate this problem, a novel algorithm, termed ``WaterSIC'', is proposed and is shown to be within a rate gap of 0.255 bits to the IT limit, uniformly over all possible covariance matrices of input activations. The key innovation of WaterSIC's is to allocate different quantization rates to different columns (in-features) of the weight matrix, mimicking the classical IT solution known as "waterfilling". Applying WaterSIC to the Llama and Qwen family of LLMs establishes new state-of-the-art performance for all quantization rates from 1 to 4 bits. Our code is available at https://github.com/egorlifar/watersic.
Authors: Diyuan Wu, Lehan Chen, Theodor Misiakiewicz, Marco Mondelli
Abstract: It is increasingly common in machine learning to use learned models to label data and then employ such data to train more capable models. The phenomenon of weak-to-strong generalization exemplifies the advantage of this two-stage procedure: a strong student is trained on imperfect labels obtained from a weak teacher, and yet the strong student outperforms the weak teacher. In this paper, we show that the potential improvement is substantial, in the sense that it affects the scaling law followed by the test error. Specifically, we consider students and teachers trained via random feature ridge regression (RFRR). Our main technical contribution is to derive a deterministic equivalent for the excess test error of the student trained on labels obtained via the teacher. Via this deterministic equivalent, we then identify regimes in which the scaling law of the student improves upon that of the teacher, unveiling that the improvement can be achieved both in bias-dominated and variance-dominated settings. Strikingly, the student may attain the minimax optimal rate regardless of the scaling law of the teacher -- in fact, when the test error of the teacher does not even decay with the sample size.
Authors: Ozgur Yilmaz
Abstract: We introduce ArrowFlow, a machine learning architecture that operates entirely in the space of permutations. Its computational units are ranking filters, learned orderings that compare inputs via Spearman's footrule distance and update through permutation-matrix accumulation, a non-gradient rule rooted in displacement evidence. Layers compose hierarchically: each layer's output ranking becomes the next layer's input, enabling deep ordinal representation learning without any floating-point parameters in the core computation. We connect the architecture to Arrow's impossibility theorem, showing that violations of social-choice fairness axioms (context dependence, specialization, symmetry breaking) serve as inductive biases for nonlinearity, sparsity, and stability. Experiments span UCI tabular benchmarks, MNIST, gene expression cancer classification (TCGA), and preference data, all against GridSearchCV-tuned baselines. ArrowFlow beats all baselines on Iris (2.7% vs. 3.3%) and is competitive on most UCI datasets. A single parameter, polynomial degree, acts as a master switch: degree 1 yields noise robustness (8-28% less degradation), privacy preservation (+0.5pp cost), and missing-feature resilience; higher degrees trade these for improved clean accuracy. ArrowFlow is not designed to surpass gradient-based methods. It is an existence proof that competitive classification is possible in a fundamentally different computational paradigm, one that elevates ordinal structure to a first-class citizen, with natural alignment to integer-only and neuromorphic hardware.
Authors: Henrik Krauss, Takehisa Yairi
Abstract: We study how different visual information sources contribute to human decision making in dynamic visual environments. Using Atari-HEAD, a large-scale Atari gameplay dataset with synchronized eye-tracking, we introduce a controlled ablation framework as a means to reverse-engineer the contribution of peripheral visual information, explicit gaze information in the form of gaze maps, and past-state information from human behavior. We train action-prediction networks under six settings that selectively include or exclude these information sources. Across 20 games, peripheral information shows by far the strongest contribution, with median prediction-accuracy drops in the range of 35.27-43.90% when removed. Gaze information yields smaller drops of 2.11-2.76%, while past-state information shows a broader range of 1.52-15.51%, with the upper end likely more informative due to reduced peripheral-information leakage. To complement aggregate accuracies, we cluster states by true-action probabilities assigned by the different model configurations. This analysis identifies coarse behavioral regimes, including focus-dominated, periphery-dominated, and more contextual decision situations. These results suggest that human decision making in Atari depends strongly on information beyond the current focus of gaze, while the proposed framework provides a way to estimate such information-source contributions from behavior.
Authors: Yilong Dai, Shengyu Chen, Xiaowei Jia, Runlong Yu
Abstract: Partial differential equations (PDEs) govern nearly every physical process in science and engineering, but solving them at scale remains prohibitively expensive. Generative AI has transformed language, vision, and protein science, but learned PDE solvers have not undergone a comparable shift. Existing paradigms each capture part of the problem. Physics-informed neural networks embed residual structure, although they are often difficult to optimize in stiff, multiscale, or large-domain regimes. Neural operators amortize across instances, although they commonly inherit a snapshot-prediction view of solving and can degrade over long rollouts. Diffusion-based solvers model uncertainty, although they are often built on a solver template that still centers on state regression. We argue that the core issue is the abstraction used to train learned solvers. Many models are asked to predict states, while many scientific settings require modeling how uncertainty moves through constrained dynamics. The relevant object is transport over physically admissible futures. This motivates flow learners: models that parameterize transport vector fields and generate trajectories through integration, echoing the continuous dynamics that define PDE evolution. This physics-to-physics alignment supports continuous-time prediction, native uncertainty quantification, and new opportunities for physics-aware solver design. We explain why transport-based learning offers a stronger organizing principle for learned PDE solving and outline the research agenda that follows from this shift.
Authors: Aijia Cheng, Kailong Wang, Ling Shi, Yongxin Zhao
Abstract: Function calling empowers large language models (LLMs) to interface with external tools, yet existing RL-based approaches suffer from misalignment between reasoning processes and tool-call decisions. We propose R2IF, a reasoning-aware RL framework for interpretable function calling, adopting a composite reward integrating format/correctness constraints, Chain-of-Thought Effectiveness Reward (CER), and Specification-Modification-Value (SMV) reward, optimized via GRPO. Experiments on BFCL/ACEBench show R2IF outperforms baselines by up to 34.62% (Llama3.2-3B on BFCL) with positive Average CoT Effectiveness (0.05 for Llama3.2-3B), enhancing both function-calling accuracy and interpretability for reliable tool-augmented LLM deployment.
Authors: Jinming Yang, Zheng Hu, Chuxian Qiu, Zhenyu Deng, Xinshan Jiao, Tao Zhou
Abstract: LLM-as-a-Judge has become a dominant approach in automated evaluation systems, playing critical roles in model alignment, leaderboard construction, quality control, and so on. However, the scalability and trustworthiness of this approach can be substantially distorted by Self-Preference Bias (SPB), which is a directional evaluative deviation in which LLMs systematically favor or disfavor their own generated outputs during evaluation. Existing measurements rely on costly human annotations and conflate generative capability with evaluative stance, and thus are impractical for large-scale deployment in real-world systems. To address this issue, we introduce a fully automated framework to quantifying and mitigating SPB, which constructs equal-quality pairs of responses with negligible quality differences, enabling statistical disentanglement of discriminability from bias propensity without human gold standards. Empirical analysis across 20 mainstream LLMs reveals that advanced capabilities are often uncorrelated, or even negatively correlated, with low SPB. To mitigate this bias, we propose a structured multi-dimensional evaluation strategy grounded in cognitive load decomposition, which reduces SPB by 31.5\% on average.
Authors: Yizheng Huang, Wenjun Zeng, Aditi Kumaresan, Zi Wang
Abstract: Evaluating generative AI models is increasingly resource-intensive due to slow inference, expensive raters, and a rapidly growing landscape of models and benchmarks. We propose ProEval, a proactive evaluation framework that leverages transfer learning to efficiently estimate performance and identify failure cases. ProEval employs pre-trained Gaussian Processes (GPs) as surrogates for the performance score function, mapping model inputs to metrics such as the severity of errors or safety violations. By framing performance estimation as Bayesian quadrature (BQ) and failure discovery as superlevel set sampling, we develop uncertainty-aware decision strategies that actively select or synthesize highly informative inputs for testing. Theoretically, we prove that our pre-trained GP-based BQ estimator is unbiased and bounded. Empirically, extensive experiments on reasoning, safety alignment, and classification benchmarks demonstrate that ProEval is significantly more efficient than competitive baselines. It requires 8-65x fewer samples to achieve estimates within 1% of the ground truth, while simultaneously revealing more diverse failure cases under a stricter evaluation budget.
Authors: Jerry Y. Huang, Justin Lin, Sheel Shah, Kartik Nair, Nicholas M. Boffi
Abstract: In generative modeling, we often wish to produce samples that maximize a user-specified reward such as aesthetic quality or alignment with human preferences, a problem known as \textit{guidance}. Despite their widespread use, existing guidance methods either require expensive multi-particle, many-step schemes or rely on poorly understood approximations. We reformulate guidance as a \textit{deterministic optimal control problem}, yielding a hierarchy of algorithms that subsumes existing approaches at the coarsest level. We show that the \textit{flow map}, an object of significant recent interest for its role in fast inference, arises naturally in the optimal solution. Based on this observation, we propose \textbf{Flow Map Reward Guidance (FMRG)}: a training-free, \textit{single-trajectory} framework that uses the flow map to both integrate and guide the flow. At text-to-image scale, FMRG matches or surpasses baselines across inverse problems and reward-guided generation with \textbf{as few as 3 NFEs}, giving at least an order-of-magnitude speedup in comparison to prior state of the art. Code is available at https://github.com/jrrhuang/fmrg.
Authors: Xinyue Chen, Yingxuan Liang, Yiqin Huang, Chikai Shang, Hai-Lin Liu, Fangqing Gu
Abstract: Pareto set learning (PSL) is an emerging paradigm in multi-objective optimization that trains neural networks to map preference vectors to Pareto optimal solutions. However, existing PSL methods primarily focus on solving a single multi-objective optimization problem at a time. This limitation not only increases computational costs in multi-objective multitask optimization scenarios by requiring a separate model for each task, but also fails to exploit the inter-task correlations across tasks. To address this, we propose a Cross-tAsk correlation-aware Pareto Set Learning (CoAction) framework, which leverages task-aware transformer to handle multiple tasks simultaneously. Specifically, by assigning task-specific embedding vectors to individual tasks, the model effectively distinguishes between tasks while facilitating knowledge sharing among them. We utilize a Transformer encoder as the backbone architecture to leverage its self-attention mechanism for capturing complex task dependencies. The proposed approach is evaluated on comprehensive multitask test suites covering both benchmark problems and real-world applications, demonstrating effectiveness and competitive performance in Hypervolume, Range, and Sparsity.
Authors: Ahmed Mehdi Inane, Vincent Quirion, Gintare Karolina Dziugaite, Ioannis Mitliagkas
Abstract: Noise-based certified machine unlearning currently faces a hard ceiling: the noise magnitude required to certify unlearning typically destroys model utility, particularly for large-scale deletion requests. While leveraging public data is a standard technique in differential privacy to relax this tension, its role in unlearning remains unexplored. We address this gap by introducing Asymmetric Langevin Unlearning (ALU), a framework that uses public data to mitigate privacy costs. We prove that public data injection suppresses the unlearning cost by a factor of $O(1/n_{\mathrm{pub}}^2)$, guaranteeing a strict computational advantage over retraining. This establishes a new control mechanism: practitioners can mitigate the need for high noise-and the associated utility loss-by increasing the volume of public data. Crucially, we analyze the realistic setting of distribution mismatch, explicitly characterizing how shifts between public and private sources impact utility. We show that ALU enables mass unlearning of constant dataset fractions -- a regime where standard symmetric methods become impractical -- while maintaining high utility. Empirical evaluations using variational R\'enyi divergence and membership inference attacks confirm that ALU effectively thwarts privacy attacks while preserving utility under reasonable distribution shifts.
Authors: Kai Hidajat
Abstract: Neural operators excel as deterministic surrogates, but inevitably collapse to the conditional mean when applied to stochastic PDEs, discarding the variance and tail structure upon which uncertainty quantification depends. Recovering this structure typically requires Monte Carlo rollouts or grafted generative models, both of which surrender the one-shot efficiency and resolution invariance that define the operator paradigm. To resolve this, we draw on the Doob-Meyer theorem, which establishes that any semimartingale fundamentally decomposes into a predictable drift and an unpredictable, zero-mean martingale. Translating this theorem into an architectural prior, we introduce the Martingale Neural Operator (MNO). MNO maps an initial condition directly to the conditional mean and covariance of the terminal law, parameterized by a drift-like mean and a low-rank factor $B_\phi$ with $B_\phi^\top B_\phi$ positive semi-definite by construction. For our experiments, we use a Gaussian residual instantiation. Across 1D SPDEs, rough volatility, and 2D operator tasks, MNO reduces Wasserstein distance by up to $120\times$ on $\phi^4$ field theory and $68\times$ on stochastic Burgers, evaluating $\sim 3\times$ faster than a conditional diffusion baseline at matched wall-clock training budgets. On 2D tasks, MNO is comparable to FNO on zero-shot resolution transfer and turbulent flow, while quasi-deterministic systems such as Gray-Scott remain a failure mode.
Authors: Masahiro Suzuki, Bohui Xia, Hiroto Yamamoto, Masanori Miyahara
Abstract: Small-scale data is a critical problem in time-series forecasting tasks. Data augmentation is an effective strategy for this task, but it has a limitation in generating meaningful data. To address this limitation, we propose DAD4TS, a diffusion-model-based data augmentation method with reinforcement learning, designed for time-series forecasting with small-scale data. In DAD4TS, a data generator is simultaneously trained with a time-series model and controlled by a reinforcement learning model to efficiently generate samples that improve the forecast accuracy of the time-series model. To support small-scale data, we use mathematical methods instead of conventional VAE methods to train the diffusion model by projecting the time-series data into the geometric space. We validated the effectiveness of DAD4TS with seven comparative methods through qualitative and quantitative experiments on six real-world datasets and eight time-series models. As a result, DAD4TS was validated on five datasets.
Authors: Micha{\l} Brzozowski, Neo Christopher Chung
Abstract: Sparse autoencoders (SAEs) are one of the main methods to interpret the inner workings of deep neural networks (DNNs), decomposing activations into higher-dimensional features. However, they exhibit critical shortcomings where a large fraction of features are never activated and are unstable. Despite variants of SAEs that attempt to mitigate these issues, they require additional data, resampling, or training. We propose the \textbf{aligned training}, a parameter-free reparameterization of SAEs that simultaneously improves reconstruction quality, eliminates dead features, and significantly enhances stability across training seeds. Our approach is motivated by an overlooked observation that SAE feature quality, measured by the inner product between encoder and decoder directions (which we call the \textbf{alignment score}), follows a bimodal distribution across all modern architectures. The proposed aligned training enforces a geometric constraint between the encoder and decoder such that their inner product equals one for every feature, which removes a source of degeneracy in the SAE training without adding any hyperparameters. Across multiple models, dictionary sizes, and sparsity levels, the aligned training shows Pareto improvements on the SAEBench benchmarks. Beyond improving dead features, stability and reconstruction, our method readily integrates with techniques in mechanical interpretability such as Top/BatchTop-K architectures and p-Annealing. Overall, the aligned training substantially improves feature quality and stability of SAE without computational complexity or cost.
Authors: Daniel Yiming Cao, Chengzhong Wang, Sheng-Yen Chou, Chengyu Huang, Pin-Yu Chen, Shengwei An
Abstract: Masked diffusion language models (MDLMs) are emerging as a compelling new paradigm for text generation, but their training-time security remains largely unexplored. Existing backdoor attacks on Gaussian diffusion models or autoregressive language models do not directly apply to MDLMs because MDLMs rely on discrete state corruption and iterative denoising rather than continuous noising or left-to-right prediction. In this work, we present the first systematic study of training-time backdoor attacks on MDLMs. We propose SHADOWMASK, a backdoor attack that modifies the MDLM forward corruption process by replacing the standard all-mask terminal distribution with a trigger-mask mixture prior. This creates a dedicated denoising pathway from trigger-corrupted states to attacker-specified targets while preserving clean denoising behavior. We further provide a principled mathematical formulation by defining the backdoored forward process, deriving the reverse-time posterior, and obtaining the continuous-time training objective. Evaluations on DiT-based MDLM and LLaDA-8B-Instruct across WikiText-103, OpenWebText, and Alpaca show that SHADOWMASK achieves near-100% attack success, substantially outperforms standard data poisoning, largely preserves clean utility, remains effective under full-model and parameter-efficient fine-tuning, and is robust against representative defenses.
Authors: Zinuo You, Jin Zheng, John Cartlidge
Abstract: Irregular multivariate time series impose a trade-off for long-horizon forecasting: discrete methods can distort temporal structure via re-gridding, while continuous-time models often require sequential solvers prone to drift. To bridge this gap, we present Latent Laplace Diffusion (LLapDiff), a generative framework that models the target as a low-dimensional latent trajectory, enabling horizon-wide generation without step-by-step integration over physical time. We guide the reverse process utilizing a stable modal parameterization motivated by stochastic port-Hamiltonian dynamics, and parameterize its mean evolution in the Laplace domain via learnable complex-conjugate poles, enabling direct evaluation over irregular timestamps. We also link continuous dynamics to irregular observations through renewal-averaging analysis, which maps sampling gaps to effective event-domain poles and motivates a gap-aware history summarizer. Extensive experiments show that LLapDiff improves over baselines in long-horizon forecasting, and its continuous-time generative nature supports missing-value imputation by querying the same model at historical timestamps. Code is available at https://github.com/pixelhero98/LLapDiffusion.
Authors: Xiaocan Li, Shiliang Wu, Zheng Shen
Abstract: MXFP4 arithmetic can dramatically accelerate reinforcement learning (RL) post-training of large language models (LLMs), yet the quantization error introduces severe accuracy degradation. Existing work treats the quantization error as a monolithic noise term, missing the distinct mechanisms upon interpreting how quantization error damages training. We prove an exact three-way decomposition of quantization error and show how each component dominates a distinct RL training pathway. Our theoretical and empirical analysis decomposes the MXFP4 quantization error into three additive components: "scale bias" from power-of-two rounding, "deadzone truncation" from zeroing small values, and "grid noise" from rounding to the nearest 4-bit grid. Each component dominates a distinct RL failure mode: scale bias accumulates multiplicatively through the backward pass, affecting gradient accuracy; deadzone truncation degrades rollout quality; and grid noise raises the policy's entropy. We combine corrections that are RL failure mode-targeted but not component-exclusive: Macro-block scaling to reduce scale bias, Outlier Fallback recovers deadzone entries, but also partially reduces scale bias induced error, and Adaptive Quantization Noise (AQN) for controlling the policy entropy. On Qwen2.5-3B dense and Qwen3-30B-A3B-Base mixture-of-experts model, the targeted corrections recover BF16 accuracy to within 0.7% and exceed BF16 by +1.0% respectively.
Authors: Changling Li, Terry Jingchen Zhang, Jie Zhang, Zhijing Jin, Sahar Abdelnabi, Maksym Andriushchenko
Abstract: Frontier language models sometimes recognize that they are being evaluated and adjust their behavior, undermining validity of benchmark results. Yet the field studies it without a shared foundation, conflating properties of the evaluation with properties of the model, and detection with behavioral response. We ground evaluation awareness in social psychology, decomposing it into an environment component (how recognizable the task is) and a model component that separates recognition from propensity to act on it. We operationalize the environment component through eight categorized trigger factors, such as placeholder entities and grading-style output formats, and study recognition and behavior through chain-of-thought monitoring. Across nine frontier models and four benchmarks, recognition rates depend on the specific pairing of model and benchmark rather than on either in isolation. Recognition rarely leads to behavioral change, and when it does, the direction depends on the type of evaluation perceived. Models are also more sensitive to safety than capability evaluations, placing safety benchmark validity at greater risk. To study which factors each model is sensitive to and how they interact, we propose \textbf{EvalAwareBench}, a factor-controlled benchmark of 100 paired safety-capability tasks where each of the eight factors can be independently toggled, varying evaluative signals while holding the underlying request fixed. Through EvalAwareBench, we find that no single factor uniformly affects all models, but stacking factors progressively raises evaluation awareness across all of them. Our framework and EvalAwareBench provide the tools to measure, attribute, and mitigate evaluation awareness, pointing to behavioral consistency under recognition as a promising path forward.
Authors: Micha{\l} Brzozowski, Zuzanna Dubanowska, Enrico Cassano, Neo Christopher Chung
Abstract: Narrowly finetuned language models memorize implanted content verbatim, but auditing what a deployed model has been taught, without access to its weights or training data, remains an open challenge. Recent work shows that activation differences between base and finetuned models carry readable traces of the finetuning domain; the state-of-the-art Activation Difference Lens (ADL) recovers a vague domain-level description but requires full "white-box" access to model internals. We introduce Contrastive Decoding Diffing (CDD), a model diffing method that operates on output-level logit distributions only, with no weight access, no layer selection, and no per-model tuning, yet recovers implanted facts. CDD consists of three ideas: bypassing the chat template to expose the raw finetuning prior, seeding generation with maximally vague pre-fills, and amplifying the logit-space difference between finetuned and base models at each decoding step. A single default configuration recovers implanted facts verbatim -- exact drug names, vote counts, physical measurements, and procedural details -- across four architectures (1B--32B parameters), uniformly outperforming ADL despite less access and running ~170x faster. Furthermore, CDD surfaces unintended data pipeline artifacts: a fictional persona introduced by the LLM data generator via mode collapse leaked into model weights and was extracted by CDD, constituting to our knowledge the first demonstrated end-to-end fingerprinting chain from data generator artifact to model weights to recovered output. We validate on real-domain finetuning settings, achieving near-perfect recovery across all single-dataset non-CoT variants and correctly identifying all four datasets in the mixed-dataset setting. CDD's success as a grey-box method outperforming white-box baselines underscores its practical utility for transparency and accountability in AI systems.
Authors: Haochun Wang, Sendong Zhao, Jingbo Wang, Yanrui Du, Ting Liu, Bing Qin
Abstract: Epidemic forecasting faces a fundamental challenge: human behavior dynamically responds to disease spread, creating feedback loops that induce distribution shifts at policy intervention points. This renders data-driven models unreliable under distribution shift. We propose \textbf{SL-BiLEM} (Structured Learnable Behavior-in-the-Loop Epidemic Model), leveraging physical constraints as regularization for robust extrapolation. The framework decomposes effective transmission as $\beta_{\text{eff}}(t,g) = \beta_0(g) \times m_{\text{policy}}(t) \times m_{\text{media}}(t) \times m_{\text{comp}}(t,g)$, where monotonicity, smoothness, and bounded-jump constraints on the learned compliance function maintain predictive validity under novel policy regimes. Beyond forecasting, SL-BiLEM enables counterfactual analysis for intervention decision support. We validate forecasting on three real-world datasets (cruise ship, school influenza, and school-district COVID-19 surveillance) and evaluate counterfactual recovery on synthetic benchmarks with known ground truth. SL-BiLEM demonstrates: (1) 76\% improvement over neural-mechanistic baselines, with only 53\% OOD degradation versus 1142\% for neural baselines under policy-induced shift; (2) 100\% bootstrap CI coverage across 27 synthetic counterfactual experiments; and (3) Treatment Effect Accuracy exceeding 0.85. These results establish SL-BiLEM as an interpretable tool for public health decision-makers seeking accurate prediction and principled intervention planning.
Authors: Junghoon Lim
Abstract: Irregular Multivariate Time Series (IMTS) are common in practice, yet their irregular sampling complicates effective modeling. Existing approaches typically either (i) design specialized architectures that limit the reuse of proven Multivariate Time Series (MTS) models, or (ii) map IMTS onto regular temporal grids through interpolation, which may distort temporal dynamics by introducing artificial values. To address these limitations, we propose a new input-embedding-based approach. We identify that the key bottleneck lies not in the backbone architecture, but in conventional embedding layers that assume uniform sampling. In this work, we introduce QuITE (Query-Based Irregular Time Series Embedding), a simple yet effective plug-and-play embedding module for IMTS. QuITE employs learnable query tokens to aggregate irregular observations through a single self-attention layer, directly producing backbone-compatible latent representations without artificial value generation or architectural modification. Extensive experiments on real-world benchmarks show that QuITE consistently improves MTS models, yielding average relative gains of up to $54.7\%$ in forecasting and $15.8\%$ in classification across diverse datasets and backbone architectures. Code is available at: https://github.com/Meaningfull9502/QuITE.
Authors: Damy M. F. Ha, Thalea Schlender, Yvette M. van der Linden, Peter A. N. Bosman, Tanja Alderliesten
Abstract: Bayesian Networks (BNs) are of interest from an explainable AI viewpoint, offering transparent probabilistic models for decision support. Baymex is a recently introduced multi-objective evolutionary algorithm for learning discretized BNs, enabling experts to trade-off different objectives of interest, such as likelihood, model complexity, and prior beliefs. While Baymex has been shown to outperform state-of-the-art BN learning approaches, Baymex still 1) requires a lot of computation time and 2) has only been evaluated on synthetic data. To improve scalability, we introduce a parallelization strategy as well as a mechanism that enables adaptively steering optimization toward networks that overfit less. We furthermore reconfigure Baymex to train a BN classifier through multi-objective optimization of cross-entropy loss and the BIC complexity term so as to evaluate its performance on real-world clinical classification tasks. Besides observing speedups up to over 54 times on a 16-core CPU, comparisons against clinically familiar baselines (decision trees, logistic regression, naive Bayes, and random forests) on two open-source (RADCURE and SUPPORT) and one in-house dataset, show that Baymex obtains statistically similar or better predictive performance while producing compact, clinically inspectable BNs. Importantly, Baymex finds multiple plausible BN classifiers that contain predictors consistent with established clinical factors.
Authors: Pernille Matthews, Lena Krieger, Tommaso Amico, Artur Zimek, Thomas Seidl, Ira Assent
Abstract: Clustering is an unsupervised technique for grouping data points by similarity. While explainability methods exist for supervised machine learning, they are not directly applicable to clustering, making it challenging to understand cluster assignments. This interpretability gap is particularly evident in the popular density-based method DBSCAN, which assigns points as inliers (cluster members in dense regions) or outliers (noise points in sparse regions). DBSCAN does not provide insight into why a particular point receives its assignment or whether its assignment is robust to small changes in the data. To address the lack of explainability, we introduce ExDBSCAN, a density-aware, post-hoc explanation method. ExDBSCAN offers actionable counterfactual explanations, with theoretical guarantees for validity. It generates multiple counterfactuals using a density connected weighted graph, adopting a physics-inspired model that repels counterfactual candidates from one another (diversity), while pulling them toward the instance to explain (proximity). Empirical evaluation on 30 tabular datasets comparing against four baselines shows that ExDBSCAN outperforms all baselines while attaining perfect validity and retrieving diverse, proximal counterfactuals.
Authors: Jun Hu
Abstract: We propose CerT-MCMC, a framework that equips learned-transport Markov chain Monte Carlo with automatic, rigorous convergence certificates. A normalising flow maps a Gaussian reference to an approximation of the target posterior; the same flow then serves as both the independence Metropolis-Hastings proposal and the basis for a computable spectral-gap bound. We develop two complementary certificates. The covering certificate bounds the weight-ratio oscillation over the full proposal support via finite-sample covering arguments, yielding full-support spectral-gap bounds when a conservative gradient bound is available; its correction term scales as O(n^{-1/D}), making it rapidly weak and eventually vacuous as dimension increases. We prove a matching Omega(n^{-1/D}) lower bound, establishing that this barrier is intrinsic to pointwise Lipschitz certification. The quantile-core certificate restricts attention to a high-probability residual core on which the oscillation is controlled by one-dimensional empirical quantiles, with a finite-sample probability slack of O(n^{-1/2}), independent of the ambient dimension. On synthetic targets (D=2-20), structural-engineering posteriors (D=6,8), real-data logistic regression on the Heart Disease data set (D=13), and synthetic Bayesian logistic regression (D=20), the quantile-core certificate delivers non-vacuous spectral-gap bounds where the covering certificate is vacuous, and its spectral-gap proxy tracks empirical effective sample sizes within 7%. A negative control experiment confirms that the certificate discriminates flow quality by a factor exceeding 10x, whereas acceptance rates differ by only 1.15x. To our knowledge, the dual-certificate framework is the first to provide automatic, dimension-aware convergence certificates for learned-transport MCMC, distinguishing genuine transport failure from proof-technique limitations.
Authors: Yiming Ren, Yiran Xu, Zicheng Lin, Chufan Shi, Yukang Chen, Dingdong Wang, Tianhe Wu, Junjie Wang, Yujiu Yang, Yu Qiao, Ruihang Chu
Abstract: We identify a new dimension for enhancing rollout diversity in Group Relative Policy Optimization (GRPO) for LLMs. While GRPO relies on diverse rollouts, prevailing strategies primarily increase diversity by injecting more token-level randomness, which may introduce step-wise noise and lead to incoherent trajectories. We uncover that smaller models within the same model family inherently exhibit higher policy-level diversity, indicated by their superior pass@k relative to larger counterparts as sample counts increase. Unlike token-level noise, this diversity is temporally correlated, preserves logical consistency, and provides structured exploration signals for gradient estimation. We thus propose S2L-PO (Small-to-Large Policy Optimization), a framework that leverages fixed small models as natural explorers to train larger models. To balance exploration and exploitation, we design a progressive annealing strategy that transitions from offline small-model rollouts to the large learner's own sampling. This shift elegantly avoids mid-training performance drops caused by the small model's capacity limits, achieving faster convergence and unlocking a higher performance ceiling. S2L-PO improves accuracy on diverse mathematical reasoning benchmarks (e.g., +8.8% on AIME 24 using a 1.7B explorer to guide the 8B model) while reducing rollout compute.
Authors: Jian Xu, Chao Li, Guang Lin, Yuning Qiu, Delu Zeng, John Paisley, Qibin Zhao
Abstract: Two recent results have reshaped quantum Gaussian processes (QGPs). On the one hand, \citet{lowe2025assessing} rule out the exponential speedups claimed by HHL-based QGP regression in the typical, well-conditioned regime; on the other, an independent line of work shows that highly expressive quantum kernels suffer posterior pathologies that break Bayesian optimization. We show that these seemingly unrelated phenomena are governed by the same quantity: the normalized spectral entropy $S(K)/\log n$ of the kernel Gram matrix. We prove a Cauchy--Schwarz tail bound on Nystr\"om approximation error, a finite-sample variance-contraction identity in terms of Bach's degrees of freedom $d_\sigma(K)$, and a characterization of the \emph{target-dependent} optimal entropy via the intrinsic dimension of the target in the kernel eigenbasis. Empirically, the diagnostic is kernel-agnostic: hardware-efficient, matchgate, IQP \emph{and} RBF/Mat\'ern/RFF/deep-kernel families all collapse onto identical $S/\log n$ curves on dequantization, ECE, and variance-contraction panels. The NLL sweet spot lives at high entropy for smooth targets and at low entropy for band-limited quantum-data targets. The diagnostic transfers from simulator to IBM Heron hardware with median absolute error $3.2\%$ and mean $5.2\%$ in $S/\log n$ across $24$ configurations at $n_q = 4$, with matchgate and IQP within $5\%$ mean and a single HE configuration returning a $30\%$ outlier that drops to $0.5\%$ on rerun (attributed to calibration drift); the same diagnostic transfers to a second Heron backend (mean error $2.7\%$) and to a $n_q = 6$ scale-up on the original backend (mean error $1.7\%$). No error mitigation is applied throughout.
Authors: Daize Dong, Junlin Chen, Haolong Jia, Jiang Liu, Jiawei Wu, Huanwei Di, Jialian Wu, Zhengzhong Liu, Zicheng Liu, Emad Barsoum, Dimitris N. Metaxas, Hongyi Wang
Abstract: Mixture of Experts (MoE) Large Language Models (LLMs) achieve strong performance at scale. However, reinforcement learning (RL) on MoE-based LLMs often suffers from training instability. A root cause is router drift, i.e., expert activations can change drastically across model updates and differ between disaggregated rollout and training phases, causing large rollout--training mismatch and unstable importance sampling weights in PPO-style RL algorithms. Routing replay mitigates this issue by freezing the replay route within each reasoning trajectory, but it ignores how the router evolves under off-policy updates and thus causes router staleness. To address this limitation, we propose Predictive Routing Replay (PR2), which augments each router with a lightweight evolution predictor that learns to anticipate short-horizon router evolution. During the rollout phase, we use the predictive routing distribution to apply top-$k$ routing, enabling gradients to reach experts that are likely to become active after updates. During the training phase, we replay the resulting predicted route to retain consistency for stable importance estimation. Theoretical analysis and experiments support that PR2 reduces routing-induced mismatch, improves RL stability, and yields stronger performance across various reasoning benchmarks.
Authors: Wenya Yu, Chao Zhang, Li Wang, Samson Lasaulce, Merouane Debbah
Abstract: Post-Training Quantization (PTQ) and Low-Rank Adaptation (LoRA) constitute the standard pipeline for efficient Large Language Model (LLM) deployment. However, applying them sequentially poses a problem: PTQ often leaves behind random noise that is spread out (across the model's weights) in a way LoRA can't easily fix, meaning that LoRA ends up wasting its limited capacity trying to fix uncorrectable noise instead of improving task performance. In this paper, we propose \textbf{ProjQ}, a novel framework for constraining quantization noise to the low-rank manifold via orthogonal subspace projection. We derive an efficient alternating algorithm that shapes the quantization noise into a low-rank structure, effectively offloading dominant error components to the subsequent adapter while minimizing the residual error in the orthogonal "uncorrectable" subspace. Our theoretical analysis demonstrates that ProjQ preserves strictly greater model plasticity for downstream tasks compared to standard PTQ. Extensive experiments on LLaMA-2, Qwen2.5 and Qwen3 confirm that ProjQ consistently outperforms existing methods in both quantization error compensation and downstream task fine-tuning, achieving up to $2\times$ lower evaluation loss for compensation and matching the performance of standard 4-bit baselines on language modeling tasks with only 3 bits. The code is available on https://github.com/yy9301/ProjQ .
Authors: Bing Liu, Wenjie Zhou, Chengcheng Zhao
Abstract: Shampoo-style optimizers approximate gradient covariance matrices using Kronecker-factored structures. Recent work~\cite{lin2026understanding} showed that such approximations can be viewed as projections under Bregman matrix divergences, leading to different Kronecker-factored preconditioners. However, it remains unclear what role the choice of divergence plays when the covariance is not exactly Kronecker-factored. We study this question through the spectrum of the covariance matrix. We show that Frobenius, von Neumann, and LogDet divergences distribute the unavoidable Kronecker approximation error differently across the covariance spectrum. We further show that their Kronecker factors are governed by divergence-weighted residuals rather than the raw approximation error, explaining how these spectral preferences are realized in the resulting preconditioners. Empirically, we observe that the top covariance eigenspace is substantially better aligned with the Hessian matrix, while the tail spectrum is much noisier and unreliable. Motivated by these findings, we propose a subspace-aware Kronecker optimizer that applies eigenvalue-based preconditioning in the top subspace and uses an adaptive isotropic acceleration constant in the bottom subspace.
Authors: Danial Saber, Amirali Salehi-Abari
Abstract: Graph Neural Networks (GNNs) suffer from overfitting and over-squashing of long-range information. Stochastic graph augmentations (e.g., edge deletion) regularize training against overfitting but can introduce train-inference misalignment and do not improve over-squashing. In contrast, rewiring methods improve connectivity to mitigate over-squashing, but are not designed to regularize training. We propose Random Add-Drop Edge (RADE), a stochastic graph augmentation method that jointly drops and adds edges to address both overfitting and over-squashing simultaneously. RADE is provably designed to align training and inference so that random augmentations regularize training without distribution shift, while supporting long-range communication at inference. We further propose and study a mini-batch gradient-norm balancing algorithm that adapts deletion and addition rates during training, rendering RADE hyperparameter-free in practice. Experiments on node- and graph-classification benchmarks show that RADE is a strong regularizer and mitigates over-squashing. Ablations support the roles of train-inference alignment, adaptive rate selection, and the complementary effects of random edge deletion and edge addition.
Authors: Yihong Huang, Chen Chu, Fei Chen, Yu Lin, Ruiduan Li, Zhihao Li
Abstract: Modern industrial recommender systems rely on thousands of heterogeneous features -- ranging from low-dimensional scalars (e.g., statistical value) to high-dimensional embeddings (e.g., user-id embeddings, MLP representations) -- to achieve high-precision predictions. Given the immense computational costs associated with training, efficient feature selection is critical. However, existing methods encounter three primary bottlenecks: (1) they typically assume uniform feature dimensions or require costly mapping to a fixed size; (2) they struggle with extreme sparsity, where the majority of features (e.g., 99%+) remain at default values; and (3) traditional permutation-based approaches are computationally prohibitive in large-scale settings. To address these challenges, we propose LeAP (Learnable Adaptive Permutation), a novel, model-agnostic plug-in module for feature selection. LeAP transforms the inefficient random permutation process into a learnable mechanism, significantly accelerating the evaluation of feature importance. In addition, we introduce an adaptive regularization strategy tailored for heterogeneous dimensions and extreme sparsity, enabling superior feature importance ranking results across asymmetric input spaces. Experiments on four public recommendation datasets demonstrate that LeAP achieves state-of-the-art performance. Furthermore, LeAP has been deployed in a large-scale industrial search ranking model with over a billion daily requests and a 2TB model parameter scale. In this real-world scenario involving 12,000+ total feature dimensions, LeAP successfully identified and removed over 3,600 redundant dimensions without performance degradation, which is 2 to 10 times the ability of compared baseline methods.
Authors: Livija Jakaite, Vitaly Schetinin
Abstract: We ask: when do Bayesian model averaging (BMA) weights over decision trees carry sufficient epistemic information to justify committed exploitation of the averaging distribution? We answer this question in closed form for Bayesian decision trees (BDTs) with Dirichlet-Multinomial leaf models and a Catalan-exponential tree-size prior (Schetinin&Jakaite, 2025), establishing a complete non-asymptotic theory of rational commitment thresholds.
Authors: Qian Li, Xinyu Mao, Shang-Hua Teng
Abstract: Positional encoding (PE) is widely viewed as necessary for transformers to process ordered sequences: without them, the next-token map appears permutation-invariant in its context tokens. This intuition underlies all prior universality results, which rely on positional information to prove that transformers with chain-of-thought can perform arbitrary computation, i.e., they are Turing complete. We revisit this belief in the regime most relevant to long-form reasoning, where generation proceeds through a finite sliding context window. Our opening perception is that the window mechanism itself (mildly) breaks the permutation symmetry. To distill and precisely capture the degree of this added expressiveness, we introduce an abstract autoregressive model, the HIST model, in which each update depends only on constant-size internal state and the token-count histogram within the current window. We prove that this HIST model is Turing complete by showing that the evolution of the window can reveal the token that has just left the window, which suffices to simulate Turing-complete Post machines. We then construct a sliding-window transformer over a constant-size token alphabet, without PE, and show that it can simulate the HIST model. Our result demonstrates that positional encodings are not indispensable for transformers to perform universal computation: The window sliding itself already breaks permutation symmetry and captures sufficient positional information.
Authors: Peihan Liu, Lucas Rosenblatt, Weiwei Kong, Natalia Ponomareva, Gautam Kamath, Rachel Cummings, Roxana Geambasu, Yu Gan, Lillian Tsai, Alex Bie
Abstract: Differentially private (DP) text synthesis promises to unlock sensitive corpora for model training, but it remains unclear whether DP synthetic data transmits genuinely new knowledge and capabilities present only in those corpora. This is because existing evaluations rely on tasks that are nearly solvable without training, so strong benchmark performance does not establish that DP synthesis can substitute original data access. Thus, we introduce ContinuousBench, a continuously and automatically-regenerated benchmark that measures capability gain from DP synthetic text. Each quarter, a new release pairs a never-before-seen training corpus with a derived QA set, constructed to be: (1) unsolvable sans-corpus; and (2) learnable under DP, as the tested knowledge is supported by hundreds of independent records. Researchers produce DP synthetic data from the training corpus and run our standardized training and evaluation harness on their synthetic data to measure gains. We instantiate two tracks: Geminon, a procedurally-generated dataset about fictional creatures; and News, a stream of newly crawled public news articles. Although standard benchmarks are nearly saturated, on ContinuousBench we find that non-private synthesis transfers substantial knowledge from the original corpus, while state-of-the-art DP synthesis methods generally fail to do so, even at $\varepsilon=100$.
Authors: Mind Lab, :, Vin Bo, Song Cao, Vic Cao, Andrew Chen, Kaijie Chen, Cleon Cheng, Steven Chiang, Kaixuan Fan, Hera Feng, Huan Feng, Arthur Fu, Jun Gao, Hongquan Gu, Aaron Guan, Nolan Ho, Mutian Hong, Hailee Hou, Peixuan Hua, Charles Huang, Miles Jiang, Nora Jiang, Yuyi Jiang, Qiuyu Jin, Fancy Kong, Andrew Lei, Kyrie Lei, Alexy Li, Lucian Li, Ray Li, Theo Li, Wenhao Li, Zhihui Li, Allen Lin, Jiayi Lin, Kairus Liu, Kieran Liu, Logan Liu, Xiang Liu, Irvine Lu, Maeve Luo, Runze Lv, Pony Ma, Verity Niu, Anson Qiu, Vincent Wang, Rio Yang, Maxwell Yao, Carrie Ye, Regis Ye, Wenlin Ye, Josh Ying, Danney Zeng, Yuhan Zhan, Anya Zhang, Di Zhang, Ruijia Zhang, Shiyang Zhang, Sueky Zhang, Ya Zhang, Wei Zhao, Ada Zhou, Adrian Zhou, Yuhua Zhou, Xinyue Zhu, Murphy Zhuang
Abstract: Parameter-efficient fine-tuning (PEFT) is usually treated as a cheaper alternative to full fine-tuning. We study a broader role: small trainable adapters as persistent local state on top of strong shared foundation models. In this framing, the base model provides shared competence while adapters carry instance-specific behavior such as preferences, skills, tool habits, and memory-like updates. We organize the problem around three scaling axes: Scale Up, where stronger shared priors make small local updates more useful; Scale Down, where we study how small adapters can be while remaining reliable; and Scale Out, where many persistent adapted instances coexist. MinT provides one infrastructure example for managing adapter identity, revision, provenance, evaluation, and serving residency. Together, the results suggest that PEFT can be a compact substrate for persistent personal models rather than only a budget substitute for full fine-tuning.
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: Parikshit Pareek, Sidhant Misra, Deepjyoti Deka
Abstract: The absence of formal performance guarantees in machine learning (ML) has limited its adoption for safety-critical power system applications, where confidence and interpretability are as vital as accuracy. In this work, we present a probabilistic guarantee for power flow learning and voltage risk estimation, derived through the framework of Gaussian Process (GP) regression. Specifically, we establish a bound on the expected estimation error that connects the GP's predictive variance to confidence in voltage risk estimates, ensuring statistical equivalence with Monte Carlo-based ACPF risk quantification. To enhance model learnability in the low-data regime, we first design the Vertex-Degree Kernel (VDK), a topology-aware additive kernel that decomposes voltage-load interactions into local neighborhoods for efficient large-scale learning. Building on this, we introduce a network-swipe active learning (AL) algorithm that adaptively samples informative operating points and provides a principled stopping criterion without requiring out-of-sample validation. Together, these developments mitigate the principal bottleneck of ML-based power flow, its lack of guaranteed reliability, by combining data efficiency with analytical assurance. Empirical evaluations across IEEE 118-, 500-, and 1354-bus systems confirm that the proposed VDK-GP achieves mean absolute voltage errors below 1E-03 p.u., reproduces Monte Carlo-level voltage risk estimates with 15x fewer ACPF computations, and achieves over 120x reduction in evaluation time while conservatively bounding violation probabilities.
Authors: Yufan Huang, David F. Gleich
Abstract: Semidefinite programs (SDPs) and their solvers are powerful tools with many applications in machine learning and data science. Designing scalable SDP solvers is challenging because by standard the positive semidefinite decision variable is an $n \times n$ dense matrix, even though the input is often an $n \times n$ sparse matrix. However, the solution may not require a full-rank matrix, as shown by Barvinok and Pataki. Two decades ago, Burer and Monteiro developed an SDP solver \texttt{SDPLR} that optimizes over a low-rank factorization instead of the full matrix. This greatly decreases the storage cost and works well for many problems. The original solver \texttt{SDPLR} tracks only the primal infeasibility of the solution, preventing early termination at moderate accuracy. We use a suboptimality bound for trace-bounded SDP problems that enables us to track the progress better and perform early termination. We then develop \texttt{SDPLR+}, which starts the optimization with an extremely low-rank factorization and dynamically updates the rank based on the primal infeasibility and suboptimality. This further speeds up the computation and saves storage. Numerical comparisons on Max Cut, Minimum Bisection, Cut Norm, and Lov\'{a}sz Theta problems with many recent memory-efficient scalable SDP solvers demonstrate the scalability of \texttt{SDPLR+} up to problems with million-by-million decision variables. It is often the fastest solver to a moderate accuracy of $10^{-2}$. Further experiments on $\mu$-conductance, matrix completion, and $k$-means clustering show the potential of \texttt{SDPLR+} on a broader range of data science applications.
Authors: Huixue Zhou, Hengrui Gu, Xi Liu, Kaixiong Zhou, Mingfu Liang, Yongkang Xiao, Srinivas Govindan, Piyush Chawla, Jiyan Yang, Xiangfei Meng, Huayu Li, Buyun Zhang, Liang Luo, Wen-Yen Chen, Yiping Han, Bo Long, Rui Zhang, Tianlong Chen
Abstract: The deployment of Large Language Models (LLMs) in recommender systems for predicting Click-Through Rates (CTR) necessitates a delicate balance between computational efficiency and predictive accuracy. This paper presents an optimization framework that combines Retrieval-Augmented Generation (RAG) with an innovative multi-head early exit architecture to concurrently enhance both aspects. By integrating Graph Convolutional Networks (GCNs) as efficient retrieval mechanisms, we are able to significantly reduce data retrieval times while maintaining high model performance. The early exit strategy employed allows for dynamic termination of model inference, utilizing real-time predictive confidence assessments across multiple heads. This not only quickens the responsiveness of LLMs but also upholds or improves their accuracy, making it ideal for real-time application scenarios. Our experiments demonstrate how this architecture effectively decreases computation time without sacrificing the accuracy needed for reliable recommendation delivery, establishing a new standard for efficient, real-time LLM deployment in commercial systems.
Authors: Amit Levi, Rom Himelstein, Yaniv Nemcovsky, Avi Mendelson, Chaim Baskin
Abstract: Safety-aligned LLMs respond to prompts with either compliance or refusal, each corresponding to distinct directions in the model's activation space. Recent works show that initializing attacks via self-transfer from other prompts significantly enhances their performance. However, the underlying mechanisms of these initializations remain unclear, and attacks utilize arbitrary or hand-picked initializations. This work presents that each gradient-based jailbreak attack and subsequent initialization gradually converge to a single compliance direction that suppresses refusal, thereby enabling an efficient transition from refusal to compliance. Based on this insight, we propose CRI, an initialization framework that aims to project unseen prompts further along compliance directions. We demonstrate our approach on multiple attacks, models, and datasets, achieving an increased attack success rate (ASR) and reduced computational overhead, highlighting the fragility of safety-aligned LLMs. A reference implementation is available at: https://amit1221levi.github.io/CRI-Jailbreak-Init-LLMs-evaluation.
URLs: https://amit1221levi.github.io/CRI-Jailbreak-Init-LLMs-evaluation.
Authors: Jinchao Feng, Sui Tang
Abstract: In this paper, we investigate the data-driven identification of asymmetric interaction kernels in the Motsch-Tadmor model based on observed trajectory data. The model under consideration is governed by a class of semilinear evolution equations, where the interaction kernel defines a normalized, state-dependent Laplacian operator that governs collective dynamics. To address the resulting nonlinear inverse problem, we propose a variational framework that reformulates kernel identification using the implicit form of the governing equations, reducing it to a subspace identification problem. We establish an identifiability result that characterizes conditions under which the interaction kernel can be uniquely recovered up to scale. To solve the inverse problem robustly, we develop a sparse Bayesian learning algorithm that incorporates informative priors for regularization, quantifies uncertainty, and enables principled model selection. Extensive numerical experiments on representative interacting particle systems demonstrate the accuracy, robustness, and interpretability of the proposed framework across a range of noise levels and data regimes.
Authors: Hamideh Khaleghpour, Brett McKinney
Abstract: The rising incidence of skin cancer, coupled with limited public awareness and a shortfall in clinical expertise, underscores an urgent need for advanced diagnostic aids. Artificial Intelligence (AI) has emerged as a promising tool in this domain, particularly for distinguishing malignant from benign skin lesions. Leveraging publicly available datasets of skin lesions, researchers have been developing AI-based diagnostic solutions. However, the integration of such computer systems in clinical settings is still nascent. This study aims to bridge this gap by employing a fusion of image processing techniques and machine learning algorithms, specifically neuro-fuzzy and colonial competition approaches. Applied to dermoscopic images from the ISIC database, our method achieved a notable accuracy of 94% on a dataset of 560 images. These results underscore the potential of our approach in aiding clinicians in the early detection of melanoma, thereby contributing significantly to skin cancer diagnostics.
Authors: Mohsen Heidari, Roni Khardon
Abstract: The Boolean Fourier representation has been widely used in learning theory, particularly for learning Disjunctive Normal Form (DNF) under uniform and product distributions. Extending these results to non-product distributions has remained a longstanding open problem. We address this challenge by introducing a generalized Fourier representation that enables learning under a broad class of non-product distributions. Our approach represents any distribution $D$ as a Bayesian network (BN) and derives a corresponding Fourier expansion. We show that standard Fourier-based learning techniques using membership queries to identify heavy coefficients can be adapted to this generalized representation with minor modifications. We prove that the $L_1$ spectral norm of conjunctions remains bounded under this expansion for difference-bounded tree BNs, significantly generalizing the known result for uniform distributions; matching lower bounds demonstrate the necessity of these constraints. Using these results, we establish the learnability of DNF and the agnostic learnability of decision trees under such distributions. Finally, we present an algorithm for learning difference-bounded tree BN distributions, extending our results to settings where the distribution is unknown.
Authors: Pengcuo Dege, Qiuming Luo, Rui Mao, Chang Kong
Abstract: Efficient inference of Multi-Head Latent Attention (MLA) is challenged by deploying the DeepSeek-R1 671B model on a single Multi-GPU server. This paper introduces FlashMLA-ETAP, a novel framework that enhances MLA inference for the single-instance deployment scenario on NVIDIA H20 GPUs. We propose the Efficient Transpose Attention Pipeline (ETAP), which reconfigures attention computation through transposition to align the KV context length with the \(M\)-dimension in WGMMA operations, significantly reducing redundant computations. FlashMLA-ETAP achieves a 2.78x speedup over FlashMLA at 64K sequence length (batch size 16), with 5.24x and 4.94x improvements over FlashAttention-3 and FlashInfer, respectively, while maintaining numerical stability with a 15.2x lower RMSE (\(1.25 \times 10^{-5}\)) than FlashAttention-3. Furthermore, ETAP's design enables seamless integration into frameworks like FlashAttention-3 and FlashInfer, supported by a detailed theoretical analysis. Our work addresses a critical gap in resource-constrained inference, offering a scalable solution for mid-tier GPUs and paving the way for broader adoption in hardware-aware optimization. Code is available at https://github.com/pengcuo/FlashMLA-ETAP.
Authors: Benoit Dherin, Michael Munn, Hanna Mazzawi, Michael Wunder, Javier Gonzalvo
Abstract: One of the most striking features of Large Language Models (LLMs) is their ability to learn in-context. Namely at inference time an LLM is able to learn new patterns without any additional weight update when these patterns are presented in the form of examples in the prompt, even if these patterns were not seen during training. The mechanisms through which this can happen are still largely unknown. In this work, we show that the stacking of a self-attention layer with an MLP allows the transformer block to implicitly modify the weights of the MLP layer according to the context. We argue through theoretical analysis and experimentation that this simple mechanism may help explain why LLMs demonstrate capabilities of in-context learning, beyond what is captured during training. Specifically, we show that a standard forward pass with context is mathematically equivalent to a forward pass without context but with the MLP weights updated by a minimal low-rank update representing the context.
Authors: Imad Bouhou, Stefano Fortunati, Leila Gharsalli, Alexandre Renaux
Abstract: This work presents a cognitive radar (CR) framework designed to track multiple aircraft under unknown disturbances using massive multiple-input multiple-output (MMIMO) systems. Since uniform power allocation is suboptimal across varying signal-to-noise ratios (SNRs), we couple an adaptive waveform design driven by Partially Observable Monte Carlo Planning (POMCP). By assigning an independent POMCP tree to each target, the system efficiently predicts target states. These predictions inform a constrained optimization problem that actively directs transmit energy toward weaker targets while maintaining sufficient power for stronger ones. Results confirm that the proposed POMCP method improves the detection probability for low-SNR targets from 0.6 to nearly 0.9, and yields more accurate tracking of the weakest target than a non-adaptive orthogonal waveform or a cognitive uniform-power POMCP baseline.
Authors: Leonard Hinckeldey, Elliot Fosong, Rimvydas Rubavicius, Elle Miller, Trevor McInroe, Fan Zhang, Patricia Wollstadt, Stefano V. Albrecht, Subramanian Ramamoorthy
Abstract: The development of reinforcement learning (RL) algorithms has been largely driven by ambitious challenge tasks and benchmarks. Games have dominated RL benchmarks because they present relevant challenges, are inexpensive to run and easy to understand. While games such as Go and Atari have led to many breakthroughs, they often do not directly translate to real-world embodied applications. In recognising the need to diversify RL benchmarks and addressing complexities that arise in embodied interaction scenarios, we introduce Assistax: an open-source benchmark designed to address challenges arising in assistive robotics tasks. Assistax uses JAX's hardware acceleration for significant speed-ups for learning in physics-based simulations. In terms of open-loop wall-clock time, Assistax runs up to $370\times$ faster when vectorising training runs compared to CPU-based alternatives. Assistax conceptualises the interaction between an assistive robot and an active human patient using multi-agent RL to train a population of diverse partner agents against which an embodied robotic agent's zero-shot coordination capabilities can be tested. Extensive evaluation and hyperparameter tuning for popular continuous control RL and MARL algorithms provide reliable baselines and establish Assistax as a practical benchmark for advancing RL research for assistive robotics. The code is available at: https://github.com/assistive-autonomy/assistax.
Authors: Hongjun Ding, Binqi Chen, Jinsheng Huang, Taian Guo, Zhengyang Mao, Guoyi Shao, Lutong Zou, Luchen Liu, Ming Zhang
Abstract: Formula alpha mining, which generates predictive signals from financial data, is critical for quantitative investment. Although various algorithmic approaches-such as genetic programming, reinforcement learning, and large language models-have significantly expanded the capacity for alpha discovery, systematic evaluation remains a key challenge. Existing evaluation metrics predominantly include backtesting and correlation-based measures. Backtesting is computationally intensive, inherently sequential, and sensitive to specific strategy parameters. Correlation-based metrics, though efficient, assess only predictive ability and overlook other crucial properties such as temporal stability, robustness, diversity, and interpretability. Additionally, the closed-source nature of most existing alpha mining models hinders reproducibility and slows progress in this field. To address these issues, we propose AlphaEval, a unified, parallelizable, and backtest-free evaluation framework for automated alpha mining models. AlphaEval assesses the overall quality of generated alphas along five complementary dimensions: predictive power, stability, robustness to market perturbations, financial logic, and diversity. Extensive experiments across representative alpha mining algorithms demonstrate that AlphaEval achieves evaluation consistency comparable to comprehensive backtesting, while providing more comprehensive insights and higher efficiency. Furthermore, AlphaEval effectively identifies superior alphas compared to traditional single-metric screening approaches. All implementations and evaluation tools are open-sourced to promote reproducibility and community engagement.
Authors: Yuzhi Yang, Omar Alhussein, M\'erouane Debbah
Abstract: We propose a novel diffusion model, termed the non-identical diffusion model, and investigate its application to wireless orthogonal frequency division multiplexing (OFDM) channel generation. Unlike the standard diffusion model that uses a scalar-valued time index to represent the global noise level, we extend this notion to an element-wise time indicator to capture local error variations more accurately. Non-identical diffusion enables us to characterize the reliability of each element (e.g., subcarriers in OFDM) within the noisy input, leading to improved generation results when the initialization is biased. Specifically, we focus on the recovery of wireless multi-input multi-output (MIMO) OFDM channel matrices, where the initial channel estimates exhibit highly uneven reliability across elements due to the pilot scheme. Conventional time embeddings, which assume uniform noise progression, fail to capture such variability across pilot schemes and noise levels. We introduce a matrix that matches the input size to control element-wise noise progression. Following a similar diffusion procedure to existing methods, we show the correctness and effectiveness of the proposed non-identical diffusion scheme both theoretically and numerically. For MIMO-OFDM channel generation, we propose a dimension-wise time embedding strategy. We also develop and evaluate multiple training and generation methods and compare them through numerical experiments.
Authors: Luo Luo, Xue Cui, Tingkai Jia, Cheng Chen
Abstract: This paper focuses on the decentralized stochastic optimization problem $f(\mathbf{x})=\frac{1}{m}\sum_{i=1}^m f_i(\mathbf{x})$ over a connected network of $n$ agents, where each local function has the form of $f_i(\mathbf{x}) = {\mathbb E}\left[F(\mathbf{x};{\boldsymbol \xi}_i)\right]$ which satisfies the $(L_0,L_1)$-smooth condition but possibly nonconvex and each random variable ${\boldsymbol \xi}_i$ follows distribution ${\mathcal D}_i$. We propose a novel algorithm called decentralized normalized stochastic gradient descent (DNSGD), which can achieve an $\epsilon$-stationary point at each local agent. We present a new framework for analyzing decentralized first-order methods in the $(L_0,L_1)$-smooth setting, based on the Lyapunov function related to the product of the gradient norm and the consensus error. We show that the proposed algorithm attains the upper bounds on the sample complexity of ${\mathcal O}(m^{-1}(L_f\sigma^2\Delta_f\epsilon^{-4} + \sigma^2\epsilon^{-2} + L_f^{-2}L_1^3\sigma^2\Delta_f\epsilon^{-1} + L_f^{-2}L_1^2\sigma^2))$ per agent and the communication complexity of $\tilde{\mathcal O}((L_f\epsilon^{-2} + L_1\epsilon^{-1})\gamma^{-1/2}\Delta_f)$, where $L_f=L_0 +L_1\zeta$, $\sigma^2$ is the variance of the stochastic gradient, $\Delta_f$ is the initial optimal function value gap, $\gamma$ is the spectral gap of the network, and $\zeta$ is the degree of the gradient dissimilarity. In the special case of $L_1=0$, the above results (nearly) match the lower bounds of decentralized stochastic nonconvex optimization under the standard smoothness. We also conduct numerical experiments to show the empirical superiority of our method.
Authors: Chuan He, Shuyi Ren, Jingwei Mao, Erik G. Larsson
Abstract: In this paper, we propose DeMuon, a method for decentralized matrix optimization over a given communication topology. DeMuon incorporates matrix orthogonalization via Newton-Schulz iterations-a technique inherited from its centralized predecessor, Muon-and employs gradient tracking to mitigate heterogeneity among local functions. Under heavy-tailed noise conditions and additional mild assumptions, we establish the iteration complexity of DeMuon for reaching an approximate stochastic stationary point. This complexity result matches the best-known complexity bounds of centralized algorithms in terms of dependence on the target tolerance. To the best of our knowledge, DeMuon is the first direct extension of Muon to decentralized optimization over graphs with provable complexity guarantees. We conduct preliminary numerical experiments on decentralized transformer pretraining over graphs with varying degrees of connectivity. Our numerical results demonstrate a clear margin of improvement of DeMuon over other popular decentralized algorithms across different network topologies.
Authors: Jannis Chemseddine, Gregor Kornhardt, Richard Duong, Gabriele Steidl
Abstract: The default Gaussian latent in flow-based generative models poses challenges when learning certain distributions such as heavy-tailed ones. We introduce a general framework for learning data-adaptive parametric prior distributions (latent noise) using one-dimensional quantile functions, optimized via the Wasserstein distance between noise and data. The quantile-based prior parameterization naturally adapts to both heavy-tailed and compactly supported distributions and shortens transport paths. Numerical results on heavy-tailed weather and image datasets confirm the method's flexibility and effectiveness achieved with negligible computational overhead.
Authors: Alireza Moradi, Mathieu Tanneau, Reza Zandehshahvar, Pascal Van Hentenryck
Abstract: Artificial intelligence (AI) is increasingly used to support renewable energy forecasting and grid operations. As renewable penetration grows, reliable probabilistic forecasting is becoming essential for managing uncertainty and supporting risk-aware operational decision-making. However, these forecasts often suffer from miscalibration due to temporal variability, changing weather conditions, and heterogeneous operating regimes. In many real-world settings, renewable energy forecasts are provided by external sources, vendors, or independently trained systems, making retraining infeasible because of limited model access or computational constraints. This creates a need for efficient and model-agnostic methods that can improve forecast reliability after they are produced. This paper presents Context-Aware Conformal Prediction (CACP), a framework for calibrating renewable energy forecasts. The proposed method relies on a weighting mechanism during the calibration procedure which assigns higher weights to historical observations that are more similar to the target forecasting condition. This enables adaptive prediction intervals that reflect local uncertainty regimes without requiring access to, or retraining of, the underlying forecasting model. Experiments are performed on a large-scale dataset from National Renewable Energy Laboratory (NREL) day-ahead solar forecasting, covering multiple systems including MISO, ERCTO, and SPP. The results show that CACP improves the reliability-efficiency tradeoff at both site and system levels compared to NREL's base forecasting model and the other conformal prediction baselines. These results suggest that CACP can serve as a practical reliability-enhancement layer for trustworthy AI-enabled renewable energy forecasting and operational decision support.
Authors: Lucas D. Konrad, Nikolas Kuschnig
Abstract: Small influential data subsets can dramatically impact model conclusions, with a few data points overturning key findings. While recent work identifies these most influential sets, there is no formal way to tell when maximum influence is excessive rather than expected under natural random sampling variation. We address this gap by developing a principled framework for most influential sets. Focusing on linear least-squares, we derive a convenient exact influence formula and identify the extreme value distributions of maximal influence - the heavy-tailed Fr\'echet for constant-size sets and heavy-tailed data, and the well-behaved Gumbel for growing sets or light tails. This allows us to conduct rigorous hypothesis tests for excessive influence. We demonstrate through applications across economics, biology, and machine learning benchmarks, resolving contested findings and replacing ad-hoc heuristics with rigorous inference.
Authors: Alessandro Sestini, Joakim Bergdahl, Jean-Philippe Barrette-LaPierre, Florian Fuchs, Brady Chen, Fabio Zinno, Michael Jones, Linus Gissl\'en
Abstract: While several high profile video games have served as testbeds for Deep Reinforcement Learning (DRL), this technique has rarely been employed by the game industry for crafting authentic AI behaviors. Previous research focuses on training super-human agents with large models, which is impractical for game studios with limited resources aiming for human-like agents. This paper proposes a sample-efficient DRL method tailored for training and fine-tuning agents in industrial settings such as the video game industry. Our method improves sample efficiency of value-based DRL by leveraging pre-collected data and increasing network plasticity. We evaluate our method training a goalkeeper agent in EA SPORTS FC 25, one of the best-selling football simulations today. Our agent outperforms the game's built-in AI by 10% in ball saving rate. Ablation studies show that our method trains agents 50% faster compared to standard DRL methods. Finally, qualitative evaluation from domain experts indicates that our approach creates more human-like gameplay compared to hand-crafted agents. As a testament to the impact of the approach, the method has been adopted for use in the most recent release of the series.
Authors: Beyazit Yalcinkaya, Marcell Vazquez-Chanlatte, Ameesh Shah, Hanna Krasowski, Sanjit A. Seshia
Abstract: We study learning multi-task, multi-agent policies for cooperative, temporal objectives, under centralized training, decentralized execution. In this setting, using automata to represent tasks assigned to agents enables breaking down a team-level objective into simpler, smaller sub-tasks. However, existing approaches remain sample-inefficient and are limited to the single-task case, requiring retraining policies for each new task. In this work, we present Automata-Conditioned Cooperative Multi-Agent Reinforcement Learning (ACC-MARL), a framework for learning task-conditioned, decentralized team policies. We identify challenges to the feasibility of ACC-MARL, propose solutions, and prove that our approach is optimal. We further show that learned value functions can be used to assign tasks optimally at test time. Experiments demonstrate emergent task-aware, multi-step coordination among agents, such as pressing a button to unlock a door, holding the door, and short-circuiting tasks.
Authors: Giovanni Palla, Sudarshan Babu, Payam Dibaeinia, James D. Pearce, Donghui Li, Aly A. Khan, Theofanis Karaletsos, Jakub M. Tomczak
Abstract: Computational modeling of single-cell gene expression is crucial for understanding cellular processes, but generating realistic expression profiles remains a major challenge. This difficulty arises from the count nature of gene expression data and complex latent dependencies among genes. Existing generative models often impose artificial gene orderings or rely on shallow neural network architectures. We introduce a scalable latent diffusion model for single-cell gene expression data, which we refer to as scLDM, that respects the fundamental exchangeability property of the data. Our VAE uses fixed-size latent variables leveraging a unified Multi-head Cross-Attention Block (MCAB) architecture, which serves dual roles: permutation-invariant pooling in the encoder and permutation-equivariant unpooling in the decoder. We enhance this framework by replacing the Gaussian prior with a latent diffusion model using Diffusion Transformers and linear interpolants, enabling high-quality generation with multi-conditional classifier-free guidance. We show its superior performance in a variety of experiments for both observational and perturbational single-cell data, as well as downstream tasks like cell-level classification.
Authors: Masahiro Tanaka
Abstract: In this study, a scalable online kernel learning framework is proposed for estimating bidirectional causal effects in systems characterized by mutual dependence and heteroskedasticity. Traditional causal inference often focuses on unidirectional effects, overlooking the common bidirectional relationships in real-world phenomena. Building on heteroskedasticity-based identification, the proposed method integrates a quasi-maximum likelihood estimator for simultaneous equation models with large scale online kernel learning. It employs random Fourier feature approximations to flexibly model nonlinear conditional means and variances, while an adaptive online gradient descent algorithm ensures computational efficiency for streaming and high-dimensional data. Results from extensive simulations demonstrate that the proposed method achieves superior accuracy and stability than single equation and polynomial approximation baselines, exhibiting lower bias and root mean squared error across various data-generating processes. These results confirm that the proposed approach effectively captures complex bidirectional causal effects with near-linear computational scaling. By combining econometric identification with modern machine learning techniques, the proposed framework offers a practical, scalable, and theoretically grounded solution for large scale causal inference in natural/social science, policy making, business, and industrial applications.
Authors: Sajad U P
Abstract: Phishing and related cyber threats are becoming increasingly sophisticated, with email-based phishing remaining the most persistent attack vector. These attacks exploit human vulnerabilities to deliver malware or gain unauthorized access to sensitive information. Transformer-based models enhance phishing detection through robust contextual language understanding; yet they are often regarded as black boxes due to a lack of interpretability. Moreover, recent AI-enabled attacks further undermine model resilience. To address these challenges, this work proposes a lightweight phishing detection framework based on DistilBERT, a lightweight Transformer model. Robustness to embedding-level perturbations and character-level input noise is enhanced through gradient-based adversarial training using the Fast Gradient Method (FGM), combined with stochastic character-level perturbations. To improve transparency, three prominent Explainable AI (XAI) methods, LIME (Local Interpretable Model-agnostic Explanations), SHAP (SHapley Additive exPlanations), and IG (Integrated Gradients), are integrated to interpret model decision-making. A structured rule-based prompt combines model predictions and XAI features to guide Flan-T5-Small in generating plain-language, evidence-based explanations. Experimental results demonstrate that the proposed framework outperforms a standard DistilBERT-based detection model trained without robustness enhancements in terms of accuracy and resilience. This integrated approach helps bridge the gap between model reliability and user trust, advancing transparent phishing detection.
Authors: Yue Yin, Tailong Xiao, Xiaoyang Deng, Ming He, Jianping Fan, Guihua Zeng
Abstract: Quantum error correction is essential for fault-tolerant quantum computing. However, standard methods relying on active measurements may introduce additional errors. Autonomous quantum error correction (AQEC) circumvents this by utilizing engineered dissipation and drives in bosonic systems, but identifying practical encoding remains challenging due to stringent Knill-Laflamme conditions. In this work, we utilize curriculum learning enabled deep reinforcement learning to discover Bosonic codes under approximate AQEC framework to resist both single-photon and double-photon losses. We present an analytical solution of solving the master equation under approximation conditions, which can significantly accelerate the training process of reinforcement learning. The agent first identifies an encoded subspace surpassing the breakeven point through rapid exploration within a constrained evolutionary time-frame, then strategically fine-tunes its policy to sustain this performance advantage over extended temporal horizons. We find that the two-phase trained agent can discover the optimal set of codewords, i.e., the Fock states $\ket{4}$ and $\ket{7}$ considering the effect of both single-photon and double-photon loss. We identify that the discovered code surpasses the breakeven threshold over a longer evolution time and achieve the state-of-art performance. We also analyze the robustness of the code against the phase damping and amplitude damping noise. Our work highlights the potential of curriculum learning enabled deep reinforcement learning in discovering the optimal quantum error correct code especially in early fault-tolerant quantum systems.
Authors: Qiuhan Gu, Avaljot Singh, Gagandeep Singh
Abstract: How to construct globally sound abstract interpreters to safely approximate program behaviors remains a bottleneck in abstract interpretation. In this paper, we show the potential of using state-of-the-art LLMs to automate this tedious process. Focusing on the neural network verification area, we synthesize non-trivial sound abstract transformers across diverse abstract domains using LLMs to search within infinite space from scratch. We formalize the synthesis task as a constrained optimization problem, for which we design a novel mathematically grounded cost function that measures the degree of unsoundness of each generated candidate transformer, while enforcing hard syntactic and semantic validity constraints. Building on this formulation, we introduce SAIL, a novel unified framework that combines model generation, syntactic and semantic validation, and cost-function-based refinement to synthesize globally sound abstract transformers. Evaluation results show that SAIL not only matches the performance of manually designed transformers, but also is able to synthesize sound and high-precision transformers that do not exist in the literature for complex non-linear operators.
Authors: Chengrui Li, Yunmiao Wang, Yule Wang, Weihan Li, Dieter Jaeger, Anqi Wu
Abstract: Low-rank recurrent neural networks (lrRNNs) are a class of models that uncover low-dimensional latent dynamics underlying neural population activity. Although their functional connectivity is low-rank, it lacks independence interpretations, making it difficult to assign distinct computational roles to different latent dimensions. To address this, we propose the Factored Recurrent Neural Network (FacRNN), a generative lrRNN framework that assumes group-wise independence among latent dynamics while allowing flexible within-group entanglement. These independent latent groups allow latent dynamics to evolve separately, but are internally rich for complex computation. We reformulate the lrRNN under a variational autoencoder (VAE) framework, enabling us to introduce a partial correlation penalty that encourages independence between groups of latent dimensions. Experiments on synthetic, monkey M1, and mouse voltage imaging data show that FacRNN consistently improves the disentanglement and interpretability of learned neural latent trajectories in low-dimensional space and low-rank connectivity over baseline lrRNNs that do not encourage group-wise independence.
Authors: Xiaolong Qian, Qi Jiang, Yao Gao, Lei Sun, Kailun Yang, Xian Wang, Zhonghua Yi, Wenyong Li, Ming-Hsuan Yang, Luc Van Gool, Kaiwei Wang
Abstract: Emerging deep-learning-based lens library pre-training (LensLib-PT) pipeline offers a new avenue for blind lens aberration correction by training a universal neural network, demonstrating strong capability in handling diverse unknown optical degradations. This work proposes FoundCAC, a universal foundational framework that resolves two challenges hindering the generalization of existing pipelines: the difficulty of scaling training data and the absence of prior guidance characterizing optical degradation. To improve data scalability, we expand the design specifications to increase degradation diversity and construct AODLibpro, a large-scale, unbiased lens library based on a uniform sampling strategy that quantifies spatial-variation patterns and severity. In terms of model design, to leverage Point Spread Functions (PSFs) as guidance while maintaining the blind paradigm, we propose a multi-stage vector-quantized representation learning scheme. This paradigm is specifically designed to construct a Latent PSF Representation (LPR), explicitly encoding complex continuous PSFs into a discrete degradation prior to regularize the highly ill-posed restoration process. Through a simple yet effective codebook-freezing strategy, our framework leverages the discrete prior to elevate full-shot restoration performance and unlock highly efficient few-shot adaptation for unseen lenses. Experiments on diverse aberrations of synthetic LensLib and real-world lenses demonstrate that our framework achieves state-of-the-art zero-shot generalization while enabling highly efficient few-shot adaptation for specific lenses. The source code and datasets will be made publicly available at https://github.com/zju-jiangqi/FoundCAC.
Authors: Zemin Xu, Chenyu Wu, Wenbo Xie, P. Hu
Abstract: Machine learning interatomic potentials (MLIPs) have brought substantial gains in the extrapolation capability in computational chemistry. However, most equivariant models are typically built with spherical tensors (STs), while Cartesian tensor formulations remain less developed despite their natural alignment with atomic coordinates and tensorial targets. In this work, we develop a Cartesian framework for irreducible Cartesian tensors (ICTs) by introduce the \texttt{Cartesian-3j} symbol and Cartesian Generalized Clebsch-Gordan Coefficients, which serve as direct analogues of the \texttt{Wigner-3j} symbol and Generalized Clebsch-Gordan coefficients defined for ST coupling. We extend the \texttt{e3nn} library to support ICT product, and use this framework to build Cartesian counterparts of \texttt{MACE}, \texttt{NequIP}, and \texttt{Allegro}, allowing the first controlled comparison where architectures are held fixed and only the tensor basis is changed. Our experiments show that irreducible Cartesian models can achieve accuracy comparable to spherical counterparts, but direct Cartesianization incurs unfavorable compute and memory scaling, motivating dedicated Cartesian architectural choices. Leveraging ICTs and our framework, we introduce \texttt{TACE-v1-OAM-M} and demonstrate that it achieves competitive performance on Matbench Discovery compared to state-of-the-art ST models.
Authors: Yuxiang Wei, Zhiqing Sun, Emily McMilin, Jonas Gehring, David Zhang, Gabriel Synnaeve, Daniel Fried, Lingming Zhang, Sida Wang
Abstract: While current software agents powered by large language models (LLMs) and agentic reinforcement learning (RL) can boost programmer productivity, their training data (e.g., GitHub issues and pull requests) and environments (e.g., pass-to-pass and fail-to-pass tests) heavily depend on human knowledge or curation, posing a fundamental barrier to superintelligence. In this paper, we present Self-play SWE-RL (SSR), a first step toward training paradigms for superintelligent software agents. Our approach takes minimal data assumptions, only requiring access to sandboxed repositories with source code and installed dependencies, with no need for human-labeled issues or tests. Grounded in these real-world codebases, a single LLM agent is trained via reinforcement learning in a self-play setting to iteratively inject and repair software bugs of increasing complexity, with each bug formally specified by a test patch rather than a natural language issue description. On the SWE-bench Verified and SWE-Bench Pro benchmarks, SSR achieves notable self-improvement (+10.4 and +7.8 points, respectively) and consistently outperforms the human-data baseline over the entire training trajectory, despite being evaluated on natural language issues absent from self-play. Our results, albeit early, suggest a path where agents autonomously gather extensive learning experiences from real-world software repositories, ultimately enabling superintelligent systems that exceed human capabilities in understanding how systems are constructed, solving novel challenges, and autonomously creating new software from scratch.
Authors: Yongcun Song, Shangzhi Zeng, Jin Zhang, Lvgang Zhang
Abstract: Optimal control of obstacle problems arises in a wide range of applications and is computationally challenging due to its nonsmoothness, nonlinearity, and bilevel structure. Classical numerical approaches rely on mesh-based discretization and typically require solving a sequence of costly subproblems. In this work, we propose a single-loop bilevel deep learning method, which is mesh-free, scalable to high-dimensional and complex domains, and avoids repeated solution of discretized subproblems. The method employs constraint-embedding neural networks to approximate the state and control and preserves the bilevel structure. To train the neural networks efficiently, we propose a Single-Loop Stochastic First-Order Bilevel Algorithm (S2-FOBA), which eliminates nested optimization and does not rely on restrictive lower-level uniqueness assumptions. We analyze the convergence behavior of S2-FOBA under mild assumptions. Numerical experiments on benchmark examples, including distributed and obstacle control problems with regular and irregular obstacles on complex domains, demonstrate that the proposed method achieves satisfactory accuracy while reducing computational cost compared to classical numerical methods.
Authors: Miao Li, Hanyang Jiang, Sikai Cheng, Hengyu Fu, Yuhang Cai, Baihe Huang, Tinghan Ye, Xuanzhou Chen, Pascal Van Hentenryck
Abstract: Diffusion Language Models (DLMs) present a promising non-sequential paradigm for text generation, distinct from standard autoregressive (AR) approaches. However, current decoding strategies often adopt a reactive stance, underutilizing the global bidirectional context to dictate global trajectories. To address this, we propose Plan-Verify-Fill (PVF), a training-free paradigm that grounds planning via quantitative validation. PVF actively constructs a hierarchical skeleton by prioritizing high-leverage semantic anchors and employs a verification protocol to operationalize pragmatic structural stopping where further deliberation yields diminishing returns. Extensive evaluations on LLaDA-8B-Instruct and Dream-7B-Instruct demonstrate that PVF reduces the Number of Function Evaluations (NFE) by up to 65% compared to confidence-based parallel decoding across benchmark datasets, unlocking superior efficiency without compromising accuracy.
Authors: Leena Mathur, Bhaavanaa Thumu, Youssouf Kebe, Louis-Philippe Morency
Abstract: Social understanding abilities are crucial for multimodal large language models (MLLMs) to interpret human social interactions. We introduce SOCIAL CAPTION, a framework grounded in interaction theory to evaluate social understanding abilities of MLLMs along three dimensions: Social Inference (SI), the ability to make accurate inferences about interactions; Holistic Social Analysis (HSA), the ability to generate comprehensive descriptions of interactions; Directed Social Analysis (DSA), the ability to generate relevant information from interactions. We analyze factors influencing model performance in social understanding, such as scale, architectural design, and spoken context. Experiments with MLLM judges demonstrate a path towards scaling automated evaluation of multimodal social understanding.
Authors: Difan Deng, Andreas Bentzen Winje, Lukas Fehring, Marius Lindauer
Abstract: The quadratic computational complexity of softmax transformers has become a bottleneck in long-context scenarios. In contrast, linear attention model families provide a promising direction towards a more efficient sequential model. These linear attention models compress past KV values into a single hidden state, thereby efficiently reducing complexity during both training and inference. However, their expressivity remains limited by the size of their hidden state. Previous work proposed interleaving softmax and linear attention layers to reduce computational complexity while preserving expressivity. Nevertheless, the efficiency of these models remains bottlenecked by their softmax attention layers. In this paper, we propose Neural Attention Search Linear (NAtS-L), a framework that applies both linear attention and softmax attention operations within the same layer on different tokens. NAtS-L automatically determines whether a token can be handled by a linear attention model, i.e., tokens that have only short-term impact and can be encoded into fixed-size hidden states, or require softmax attention, i.e., tokens that contain information related to long-term retrieval and need to be preserved for future queries. By searching for optimal Gated DeltaNet and softmax attention combinations across tokens, we show that NAtS-L provides a strong yet efficient token-level hybrid architecture.
Authors: Dhruv S. Kushwaha, Zoleikha A. Biron
Abstract: Reinforcement Learning (RL) has achieved remarkable success in solving complex sequential decision-making problems. However, its application to safety-critical physical systems remains constrained by the lack of stability guarantees. Standard RL algorithms prioritize reward maximization, often yielding policies that may induce oscillations or unbounded state divergence. In this work we propose a Lyapunov-Constrained Soft Actor-Critic (LC-SAC) algorithm using Koopman operator theory. We learn a linear lifted surrogate of the error dynamics via Extended Dynamic Mode Decomposition (EDMD) and solve the Discrete Algebraic Riccati Equation (DARE) to obtain a closed-form quadratic candidate Control Lyapunov Function (CLF). This CLF is incorporated into the SAC actor update as a Lagrangian penalty that aggregates the worst-case tail of violations via a Conditional Value-at-Risk (CVaR) objective, concentrating constraint pressure on rare but severe instability events. We further introduce three structural EDMD refinements spectral-radius normalization of the lifted A-matrix prior to the DARE solve, a physically meaningful LQR state cost, and a value-bias anchor enforcing V(0)=0 that make the closed-form CLF well-posed for higher-dimensional lifted models such as the cartpole and 3D quadrotor. The ablation study shows that a hard Lagrangian constraint is essential, replacing it with reward shaping (Lyap-RS-SAC) destabilizes learning and collapses return on quadrotor tasks.
Authors: Yuhan Wu, Jan Willem van Beek, Victorita Dolean, Alexander Heinlein
Abstract: Deep learning-based hybrid iterative methods (DL-HIMs) integrate classical numerical solvers with neural operators, utilizing their complementary spectral biases to accelerate convergence. Despite this promise, many DL-HIMs stagnate at false fixed points where neural updates vanish while the physical residual remains large, raising questions about reliability in scientific computing. In this paper, we provide evidence that performance is highly sensitive to training paradigms and update strategies, even when the neural architecture is fixed. Through a detailed study of a DeepONet-based hybrid iterative numerical transferable solver (HINTS) and an FFT-based Fourier neural solver (FNS), we show that significant physical residuals can persist when training objectives are not aligned with solver dynamics and problem physics. We further examine Anderson acceleration (AA) and demonstrate that its classical form is ill-suited for nonlinear neural operators. To overcome this, we introduce physics-aware Anderson acceleration (PA-AA), which minimizes the physical residual rather than the fixed-point update. Numerical experiments confirm that PA-AA restores reliable convergence in substantially fewer iterations. These findings provide a concrete answer to ongoing controversies surrounding AI-based PDE solvers: reliability hinges not only on architectures but on physically informed training and iteration design.
Authors: Xinwu Ye, Yicheng Mao, Yuxuan Liao, Jia Zhang, Yimeng Liu, Li Hao, Fang Wu, Zhiwei Li, Zehong Wang, Zhiyuan Liu, Zhenfei Yin, Li Yuan, Philip Torr, Huan Sun, xiangxiang Zeng, Mengdi Wang, Le Cong, Shenghua Gao, Xiangru Tang
Abstract: Current chemical large language models (LLMs) predominantly rely on explicit Chain-of-Thought (CoT) to solve complex reasoning problems. However, forcing nonverbal tacit chemical logic into discrete natural language imposes a fundamental ``modality mismatch,'' creating an artificial bottleneck for reasoning. We introduce LatentChem, a reasoning interface that decouples chemical logic from linguistic generation, enabling the model to process information via continuous thought vectors and dynamic perception. Our investigation reveals a pivotal emergent behavior: spontaneous internalization, defined here as self-selected under outcome-only optimization. When optimized for task success, the model abandons verbose textual derivations in favor of implicit latent computation, suggesting that it identifies the continuous manifold as a more native substrate for chemical logic. This paradigm shift also proves to be a superior computational strategy: LatentChem achieves a 59.88\% non-tie win rate against the strong CoT baseline on the rigorous ChemCoTBench, while delivering a broad 10.84$\times$ average reduction in reasoning step overhead (5.96$\times$ wall-clock speedup) across all evaluated benchmarks. Our results provide empirical evidence that chemical reasoning is more naturally and effectively realized as continuous latent dynamics rather than discretized linguistic trajectories.
Authors: Qiuming Luo, Yuebing Li, Feng Li, Chang Kong
Abstract: Distilling knowledge from large Vision-Language Models (VLMs) into lightweight networks is crucial yet challenging in Fine-Grained Visual Classification (FGVC), due to the reliance on fixed prompts and global alignment. To address this, we propose PAND (Prompt-Aware Neighborhood Distillation), a two-stage framework that decouples semantic calibration from structural transfer. First, we incorporate Prompt-Aware Semantic Calibration to generate adaptive semantic anchors. Second, we introduce a neighborhood-aware structural distillation strategy to constrain the student's local decision structure. PAND consistently outperforms state-of-the-art methods on four FGVC benchmarks. Notably, our ResNet-18 student achieves 76.09% accuracy on CUB-200, surpassing the strong baseline VL2Lite by 3.4%. Code is available at https://github.com/LLLVTA/PAND.
Authors: Keenan Pepper, Alex McKenzie, Florin Pop, Stijn Servaes, Martin Leitgab, Mike Vaiana, Judd Rosenblatt, Michael S. A. Graziano, Diogo de Lucena
Abstract: Self-interpretation methods prompt language models to describe their own internal states, but remain unreliable due to hyperparameter sensitivity. We show that training lightweight adapters on interpretability artifacts, while keeping the LM entirely frozen, yields reliable self-interpretation across tasks and model families. A scalar affine adapter with just $d_\text{model}+1$ parameters suffices: trained adapters generate sparse autoencoder feature labels that outperform the training labels themselves (70% vs 50% generation scoring at 70B scale), identify topics with 94% recall@1 versus 1% for untrained baselines, and decode bridge entities in multi-hop reasoning that appear in neither prompt nor response, surfacing implicit reasoning without chain-of-thought. The learned bias vector alone accounts for 85% of improvement, and simpler adapters generalize better than more expressive alternatives. Controlling for model knowledge via prompted descriptions, we find self-interpretation gains outpace capability gains from 7B to 72B parameters. Our results demonstrate that self-interpretation improves with scale, without modifying the model being interpreted.
Authors: Constantin Kogler, Tassilo Schwarz, Samuel Kittle
Abstract: Effective initialization in deep networks requires an understanding of random neural networks. In this work, a rigorous probabilistic analysis of deep bias-free random Leaky ReLU networks is provided. We prove a Law of Large Numbers and a Central Limit Theorem for the logarithm of the norm of network activations, establishing that, as the number of layers increases, their growth is governed by a parameter called the Lyapunov exponent. This parameter characterizes a sharp phase transition between vanishing and exploding activations, and we calculate the Lyapunov exponent explicitly for Gaussian or orthogonal weight matrices. Our results reveal that standard methods, such as He initialization or orthogonal initialization, do not guarantee activation stability for deep networks of low width. Based on these theoretical insights, we propose a novel initialization method, referred to as Lyapunov initialization, which sets the Lyapunov exponent to zero and thereby ensures that the neural network is as stable as possible, leading empirically to improved learning.
Authors: Shani Goren, Ido Galil, Ran El-Yaniv
Abstract: LLMs are widely used, yet they remain prone to factual errors that erode user trust and limit adoption in high-risk settings. One approach to mitigate this risk is to equip models with uncertainty estimation mechanisms that abstain when confidence is low. However, this binary "all-or-nothing" approach is excessively restrictive in long-form settings, often discarding valuable information. We introduce Selective Abstraction (SA), a framework that enables LLMs to trade specificity for reliability by selectively reducing the detail of uncertain content. We first formalize SA through the lenses of selective risk and coverage. We then propose Atom-wise Selective Abstraction, a claim-level instantiation that decomposes responses into atomic claims (short, self-contained statements each expressing a single fact) and replaces uncertain atoms with higher confidence, less specific abstractions. To evaluate this framework, we develop a novel end-to-end pipeline for open-ended generation that instantiates risk as factual correctness and measures coverage using an information-theoretic measure of retained information. Across six open-source models on the FactScore and LongFact-Objects benchmarks, atom-wise SA consistently outperforms existing baselines, improving the area under the risk-coverage curve (AURC) by up to 27.73% over claim removal, demonstrating that reducing specificity can boost accuracy and reliability while preserving most of their original meaning.
Authors: Stephan Rabanser, Sayash Kapoor, Peter Kirgis, Kangheng Liu, Saiteja Utpala, Arvind Narayanan
Abstract: AI agents are increasingly deployed to execute important tasks. While rising accuracy scores on standard benchmarks suggest rapid progress, many agents still continue to fail in practice. This discrepancy highlights a fundamental limitation of current evaluations: compressing agent behavior into a single success metric obscures critical operational flaws. Notably, it ignores whether agents behave consistently across runs, withstand perturbations, fail predictably, or have bounded error severity. Grounded in safety-critical engineering, we provide a holistic performance profile by proposing twelve concrete metrics that decompose agent reliability along four key dimensions: consistency, robustness, predictability, and safety. Evaluating 15 models across two complementary benchmarks, we find that recent capability gains have only yielded small improvements in reliability. By exposing these persistent limitations, our metrics complement traditional evaluations while offering tools for reasoning about how agents perform, degrade, and fail.
Authors: Joshua Nunley
Abstract: Humans rehearse possible futures offline, as in mental practice and perhaps dreaming, suggesting that world models may support task learning away from the environment. Standard machine learning world models compress visual input into latent vectors, discarding the spatial structure that characterizes sensory cortex. We propose isomorphic world models: architectures that preserve sensory topology, so physics prediction becomes geometric propagation rather than abstract state transition. We implement this idea with motor-gated neural fields, where activity evolves through local lateral connectivity and motor commands multiplicatively modulate specific channels. Across three experiments, the same architecture learns ballistic prediction without ``teleporting,'' improves a catching policy offline by propagating task error through a frozen learned world model, and develops body-selective motor channels without body labels. These results provide preliminary evidence that physical prediction, offline task learning, and body-linked representation share a common computational substrate: action-conditional prediction within a spatial map.
Authors: Varun Ursekar, Apaar Shanker, Veronica Chatrath, Yuan Xue, Samuel Marc Denton
Abstract: An important emerging application of coding agents is agent harness optimization: the iterative improvement of a target agent by editing and evaluating its code. Despite its relevance, the community lacks a systematic understanding of coding agent performance on this task. Harness optimization differs from conventional software engineering: agent harnesses interleave deterministic code with stochastic LLM completions, requiring structured capture of both intermediate execution traces and downstream outcomes. To address these challenges, we introduce (1) VeRO (Versioning, Rewards, and Observations), an outer harness that provides versioned snapshots, budget-controlled evaluation, and structured execution traces of target harnesses, and (2) VeRO-Bench, a benchmark suite of target agents and tasks with reference evaluation procedures. Using VeRO, we conduct an empirical study comparing optimizers across tasks and analyzing which modifications reliably improve target agent harnesses. We release VeRO to support research on agent optimization as a core capability for coding agents. Code is available at https://github.com/scaleapi/vero.
Authors: Jiahan Chen, Da Li, Hengran Zhang, Yinqiong Cai, Lixin Su, Jiafeng Guo, Daiting Shi, Dawei Yin, Keping Bi
Abstract: Multimodal embedding models, rooted in multimodal large language models (MLLMs), have yielded significant performance improvements across diverse tasks such as retrieval and classification. However, most existing approaches rely heavily on large-scale contrastive learning, with limited exploration of how the architectural and training paradigms of MLLMs affect embedding quality. While effective for generation, the causal attention and next-token prediction paradigm of MLLMs does not explicitly encourage the formation of globally compact representations, limiting their effectiveness as multimodal embedding backbones. To address this, we propose CoCoA, a Content reconstruction pre-training paradigm based on Collaborative Attention for multimodal embedding optimization. Specifically, we restructure the attention flow and introduce an EOS-based reconstruction task, encouraging the model to reconstruct input from the corresponding
Authors: Ege Onur Taga, Samet Oymak, Shubhanshu Shekhar
Abstract: We develop horizon-aware anytime-valid tests and confidence sequences for bounded means under a strict deadline $N$. Using the betting/e-process framework, we cast horizon-aware betting as a finite-horizon optimal control problem with state space $(t, \log W_t)$, where $t$ is the time and $W_t$ is the test martingale value. We first show that in certain interior regions of the state space, policies that deviate significantly from Kelly betting are provably suboptimal, while Kelly betting reaches the threshold with high probability. We then identify sufficient conditions showing that outside this region, more aggressive betting than Kelly can be better if the bettor is behind schedule, and less aggressive can be better if the bettor is ahead. Taken together these results suggest a simple phase diagram in the $(t, \log W_t)$ plane, delineating regions where Kelly, fractional Kelly, and aggressive betting may be preferable. Guided by this phase diagram, we introduce a Deep Reinforcement Learning approach based on a universal Deep Q-Network (DQN) agent that learns a single policy from synthetic experience and maps simple statistics of past observations to bets across horizons and null values. In limited-horizon experiments, the learned DQN policy yields state-of-the-art results.
Authors: Wenchang Duan, Zhenguo Gao, Jinguo Xian, Yi Shi
Abstract: Trajectory prediction is a key component of autonomous driving systems because future motions directly affect collision checking, behavior planning, and control. The task remains challenging under dense interactions, heterogeneous behaviors, multimodal futures, and limited on-board computation. Existing graph, attention, and generative predictors improve interaction reasoning or uncertainty modeling, but their high-capacity designs are often costly for real-time deployment. Lightweight predictors and conventional distillation reduce inference cost, yet usually rely on static imitation and do not explicitly correct safety-relevant teacher bias. This paper proposes \textbf{MAVEN-T}, a reinforced heterogeneous distillation framework for real-time multi-agent trajectory prediction. A high-capacity teacher models directed local interactions with a surround-aware graph encoder, combines efficient temporal filtering with shifted-window spatial attention, and decodes maneuver-specific futures through a sparse Mixture-of-Experts head. A compact GRU--Squeeze-and-Excitation student with a Low-Rank Adapted policy head is trained by feature-, attention-, and semantic-level distillation. To align prediction with downstream behavior, the student is further refined by Proximal Policy Optimization rewards for collision avoidance, comfort, and progress, while a complexity-aware curriculum and Elastic Weight Consolidation stabilize stage-wise training. Experiments on NGSIM, HighD, MoCAD, Argoverse~2, and the Waymo Open Motion Dataset evaluate accuracy, efficiency, generalization, robustness, and closed-loop safety. The student achieves 6.2$\times$ parameter compression, 3.7$\times$ inference acceleration, and 14.6,ms latency on an NVIDIA Jetson AGX Orin while maintaining competitive accuracy.
Authors: Jiaxi Bi, Tongxu Luo, Wenyu Du, Zhengyang Tang, Benyou Wang
Abstract: Parallel reasoning enhances Large Reasoning Models (LRMs) but incurs prohibitive costs due to futile paths caused by early errors. To mitigate this, path pruning at the prefix level is essential, yet existing research remains fragmented without a standardized framework. In this work, we propose the first systematic taxonomy of path pruning, categorizing methods by their signal source (internal vs. external) and learnability (learnable vs. non-learnable). This classification reveals the unexplored potential of learnable internal methods, motivating our proposal of STOP (Super TOken for Pruning). Extensive evaluations across LRMs ranging from 1.5B to 20B parameters demonstrate that STOP achieves superior effectiveness and efficiency compared to existing baselines. Furthermore, we rigorously validate the scalability of STOP under varying compute budgets - for instance, boosting GPT-OSS-20B accuracy on AIME25 from 84% to nearly 90% under fixed compute budgets. Finally, we distill our findings into formalized empirical guidelines to facilitate optimal real-world deployment. Code, data and models are available at https://bijiaxihh.github.io/STOP
Authors: A. Sophia Koepke, Daniil Zverev, Shiry Ginosar, Alexei A. Efros
Abstract: The Platonic Representation Hypothesis suggests that neural networks trained on different modalities (e.g., text and images) align and eventually converge toward the same representation of reality. If true, this has significant implications for whether modality choice matters at all. We show that the experimental evidence for this hypothesis is fragile and depends critically on the evaluation regime. Alignment is measured using mutual nearest neighbors on small datasets ($\approx$1K samples) and degrades substantially as the dataset is scaled to millions of samples. The same behavior is observed beyond text-image, for text-audio and text-video alignment. The alignment that remains between model representations reflects coarse semantic overlap rather than consistent fine-grained structure. Moreover, the evaluations in Huh et al. are done in a one-to-one image-caption setting, a constraint that breaks down in realistic many-to-many settings and further reduces measured alignment. We also find that the reported trend of stronger language models increasingly aligning with vision does not appear to hold for newer models. Overall, our findings suggest that the current evidence for cross-modal representational convergence is considerably weaker than subsequent works have taken it to be. Models trained on different modalities may learn equally rich representations of the world, just not the same one.
Authors: Zhenbang Du, Kejing Xia, Xinrui Zhong, Yonggan Fu, Nicolai Oswald, Binfei Ji, Brucek Khailany, Pavlo Molchanov, Yingyan Lin
Abstract: Diffusion Large Language Models (dLLMs) have emerged as a promising alternative to autoregressive generation by enabling parallel token prediction. However, practical dLLM decoding still suffers from high inference latency, which limits deployment. In this work, we observe that a substantial part of this inefficiency comes from recurring redundancy in the decoding process, including spatial redundancy caused by confidence clusters and positional ambiguity, and temporal redundancy caused by repeatedly remasking predictions that have already stabilized. Motivated by these patterns, we propose $R^{2}$-dLLM, a unified framework for reducing decoding redundancy from both inference and training perspectives. At inference time, we introduce training-free decoding rules that aggregate local confidence and token predictions, and finalize temporally stable tokens to avoid redundant decoding steps. We further propose a redundancy-aware supervised fine-tuning pipeline that aligns the model with efficient decoding trajectories and reduces reliance on manually tuned thresholds. Experiments demonstrate that $R^{2}$-dLLM consistently reduces the number of decoding steps by up to 88\% compared to existing decoding strategies, while maintaining competitive generation quality across different models and tasks. These results validate that decoding redundancy is a central bottleneck in dLLMs, and that explicitly reducing it yields substantial practical efficiency gains. Our code and models are available at https://github.com/GATECH-EIC/R2-dLLM.
Authors: Ghadi Nehme, Eamon Whalen, Faez Ahmed
Abstract: Despite recent progress, recovering parametric CAD construction sequences from geometric input, such as meshes or point clouds, is a key challenge for design and manufacturing, as existing CAD reconstruction and generation methods are largely restricted to difficult-to-edit formats like meshes or Breps or editable simple sketch-and-extrude pipelines and low-complexity datasets. We introduce CADFit, a hybrid optimization-based CAD reconstruction framework that recovers complex, editable CAD construction sequences from meshes by incrementally fitting and validating parametric operations using geometric feedback. Our approach is distinguished by formulating reconstruction as an IoU-driven optimization over structured CAD programs and supporting a rich set of operations, including extrusions, revolutions, fillets, and chamfers. Experiments on multiple CAD benchmarks show that CADFit outperforms state-of-the-art mesh-to-CAD methods in volumetric Intersection-over-Union and Chamfer Distance, while substantially reducing the Invalid Ratio of reconstructed CAD programs, particularly for complex designs. We further present a multimodal pipeline that enables end-to-end reconstruction of CAD construction sequences from images by combining image-based geometry reconstruction with CADFit. By enabling accurate reconstruction of higher-complexity CAD models, CADFit provides a practical foundation for generating richer datasets and advancing future learning-based approaches to CAD reverse engineering. The code is available at: https://github.com/ghadinehme/CADFit.
Authors: Jannis Chemseddine, Gregor Kornhardt, Gabriele Steidl
Abstract: We study the problem of learning generative models for discrete sequences in a continuous embedding space. Whereas prior approaches typically operate in Euclidean space or on the probability simplex, we instead work on the sphere $\mathbb S^{d-1}$. There the von Mises-Fisher (vMF) distribution induces a natural noise process and admits a closed-form conditional score. The conditional velocity is in general intractable. Exploiting the radial symmetry of the vMF density we reduce the continuity equation on $\mathbb S^{d-1}$ to a scalar ODE in the cosine similarity, whose unique bounded solution determines the velocity. The marginal velocity and marginal score on $(\mathbb S^{d-1})^L$ both decompose into posterior-weighted tangent sums that differ only by per-token scalar weights. This gives access to both ODE and predictor-corrector (PC) sampling. The posterior is the only learned object, trained by a cross-entropy loss. Experiments compare the vMF path against geodesic and Euclidean alternatives. The combination of vMF and PC sampling significantly improves results on Sudoku and language modeling.
Authors: Hao Wu, Fan Xu, Yuxu Lu, Penghao Zhao, Fan Zhang, Hao Jia, Yuxuan Liang, Ruijian Gou, Qingsong Wen, Xian Wu, Xiaomeng Huang, Yuan Gao
Abstract: Coupled spatiotemporal forecasting is important for predicting the future evolution of multiple interacting dynamical systems, such as in climate models. However, existing methods are severely constrained by the persistent bottleneck of compounding errors. In coupled systems, errors from each subsystem simulator propagate and amplify one another, a phenomenon we term Reciprocal Error Amplification, leading to a rapid collapse of long-range predictions. To address this challenge, we propose a universal framework called PnP-Corrector (Plug-and-Play Corrector). The core idea of our framework is to decouple the physical simulation from the error correction process: it freezes pre-trained physics simulation engines and exclusively trains a correction agent to proactively counteract the systematic biases emerging from the coupled system. Furthermore, we design an efficient predictive model architecture, DSLCast, to serve as the backbone of this framework. Extensive experiments demonstrate that our method significantly enhances the long-term stability and accuracy of coupled forecasting systems. For instance, in the challenging task of a 300-day global ocean-atmosphere coupled forecast, our PnP-Corrector framework reduces the prediction error of the baseline model by 28% and surpasses state-of-the-art models on several key metrics.
Authors: Haoran Hu, Xingce Wang
Abstract: Probabilistic partial least squares (PPLS) is a central likelihood-based model for two-view learning when one needs both interpretable latent factors and calibrated uncertainty. Building on the identifiable parameterization of Bouhaddani et al.\ (2018), existing fitting pipelines still face two practical bottlenecks: noise--signal coupling under joint EM/ECM updates and nontrivial handling of orthogonality constraints. Following the fixed-noise scalar-likelihood protocol, we develop an end-to-end framework that combines noise pre-estimation, constrained likelihood optimization, and prediction calibration in one pipeline. We estimate the observation noise from the low-eigenvalue noise subspace and enforce orthogonality through exact Stiefel-manifold optimization. The noise-subspace estimator attains a signal-strength-independent leading finite-sample rate and matches a minimax lower bound, whereas a full-spectrum noise estimator carries a deterministic bias under the same model. We further extend the framework to sub-Gaussian settings via optional Gaussianization and provide closed-form standard errors through a block-structured Fisher analysis. Across synthetic high-noise settings and two multi-omics benchmarks (TCGA-BRCA and PBMC CITE-seq), the method achieves near-nominal coverage without post-hoc recalibration, reaches Ridge-level point accuracy on TCGA-BRCA at rank $r=3$, matches or exceeds PO2PLS on cross-view prediction while providing native calibrated uncertainty, and improves stability of parameter recovery.
Authors: Tim Tsz-Kit Lau, Weijie Su
Abstract: A striking geometric disparity has long persisted in the practice of deep learning. While modern neural network architectures naturally exhibit rich symmetry and equivariance properties, popular optimizers such as Adam and its variants operate inherently coordinate-wise, rendering them unable to respect the equivariance structures of the parameter space. We address this disparity by introducing a symmetry-compatible principle for optimizer design: the gradient update rule should be equivariant under the symmetry group acting on the corresponding weight block. Following this principle, we first provide a unified perspective on bi-orthogonally equivariant updates for general matrix layers, as employed by stochastic spectral descent, Muon, Scion, and polar gradient methods. More importantly, by moving from orthogonal groups to permutation and shared-shift symmetries, we derive symmetry-compatible optimizers for parameter blocks whose symmetries differ from those of general matrix layers: embedding and LM head matrices, SwiGLU MLP projections, and MoE router matrices. These constructions include one-sided spectral, row-norm, hybrid row-norm/spectral, row-aware, column-aware, centered row-norm, and left-spectral updates. They yield an end-to-end layerwise optimizer stack in which each major matrix-valued parameter class is assigned an update whose equivariance matches its symmetry group. We corroborate this principle through pre-training experiments on dense and sparse MoE language models, including Qwen3-0.6B-style, Gemma 3 1B-style, OLMoE-1B-7B-style, and downsized gpt-oss architectures. Across these experiments, symmetry-compatible update rules consistently improve final validation loss, reduce load imbalance in sparse MoE models, and in several cases improve training stability over the corresponding AdamW updates.
Authors: Qianhao Yuan, Jie Lou, Xing Yu, Hongyu Lin, Le Sun, Xianpei Han, Yaojie Lu
Abstract: Multimodal Large Language Models (MLLMs) still struggle with fine-grained visual understanding, where answers often depend on small but decisive evidence in the full image. We observe a regional-to-global perception gap: the same MLLM answers fine-grained questions more accurately when conditioned on evidence-centered crops than on the corresponding full images, suggesting that many failures stem from difficulty to focus on relevant evidence rather than insufficient local recognition ability. Motivated by this observation, we propose Vision-OPD (Vision On-Policy Distillation), a regional-to-global self-distillation framework that transfers the model's own privileged regional perception to its full-image policy. Vision-OPD instantiates two conditional policies from the same MLLM: a crop-conditioned teacher and a full-image-conditioned student. The student generates on-policy rollouts, and Vision-OPD minimizes token-level divergence between the teacher and student next-token distributions along these rollouts. This enables the model to internalize the benefit of visual zooming without external teacher models, ground-truth labels, reward verifiers, or inference-time tool use. Experiments on multiple fine-grained visual understanding benchmarks show that Vision-OPD models achieve competitive or superior performance against much larger open-source, closed-source, and "Thinking-with-Images" agentic models. The code is available at https://github.com/VisionOPD/Vision-OPD
Authors: Bingnan Liu, Chenhang Cui, Rui Huang, Jiani Luo, Zhirong Shen, Tinghao Wang, Xiande Huang, Lingbei Meng, Fei Shen, An Zhang
Abstract: We introduce WildRoadBench, a wild aerial road-damage grounding benchmark that couples direct visual grounding by vision-language models with autonomous research-and-engineering by LLM-driven agents on a single professionally annotated UAV corpus. The same image set and the same per-class AP_50 metric are evaluated under two protocols. The VLM Track measures whether a fixed VLM can localise domain-specific damage from one image and one short prompt under a unified prompting, decoding and parsing pipeline. The Agent Track measures whether an autonomous agent, given only a written task brief, a small exploratory slice and a fixed interaction budget, can search the public web, adapt pretrained components, write training and inference code, and submit predictions through a scalar-feedback oracle on a hidden holdout. We benchmark a broad pool of closed-source frontier models and open-source VLMs together with several frontier LLM-driven agents. Both routes remain far from reliable performance in this wild setting: closed-source frontier models lead the VLM leaderboard but still leave more than half of the metric on the table; open-source grounders plateau well below them, and newer generations or reasoning-style variants do not consistently improve grounding; small targets collapse for every open-source model; agents lag the strongest VLM despite richer affordances, and several fail to land a valid submission within the budget. We release the code and data at https://anonymous.4open.science/r/wildroadbench-0607 to support reproducible follow-up research.
Authors: Xinpeng Wang, William X. Cao, Andrew Gordon Wilson, Zhe Zeng
Abstract: Recent studies on hallucination detection have shown that hallucination-related signals are more strongly encoded in intermediate layers than in the final layer of large language models (LLMs). Although a growing body of work has sought to exploit this property for hallucination detection, how to automate the selection of high-performing layers remains underexplored, and principled methods for this purpose are still lacking. To address this gap, we first propose several hypotheses for why such signals emerge in intermediate layers and evaluate corresponding criteria for automatic layer selection across diverse LLM architectures, scales, and tasks, covering both question answering and summarization hallucination detection benchmarks. However, we find that none of these criteria consistently delivers satisfactory performance. We therefore propose a new selection criterion, First Effective Peak of Intrinsic Dimension (FEPoID), which consistently identify optimal or near-optimal layers and outperforms both the aforementioned criteria and existing hallucination detection baselines. FEPoID is training-free and incurs negligible computational overhead. In addition, we study the generation behaviors of LLMs and introduce a simple yet effective truncation strategy, which further amplifies hallucination-related signals and substantially improves overall detection performance. Code is publicly available at https://github.com/DesoloYw/Automatic-Layer-Selection-for-Hallucination-Detection.git
URLs: https://github.com/DesoloYw/Automatic-Layer-Selection-for-Hallucination-Detection.git
Authors: Hanning Lu, Yingguang Yang, Jinwei Su, Yang Liu, Zhaoqian Yao, Yaoming Li, Taoran Liang, Ziyi Zhang, Ran Ran, Kefu Xu, Bin Chong
Abstract: LLM-driven social bots can generate fluent, human-like text, reducing the discriminative advantage of content-based detection alone. However, coordinated campaigns still leave relational patterns -- interactions, behavioral similarity, shared neighborhoods, community positions, and coordinated activity -- that graph-based methods can exploit. Existing graph detectors face two challenges when exploiting such evidence. First, Euclidean GNNs distort hierarchical and scale-free social graphs; while hyperbolic geometry addresses this volume-growth mismatch, fixed-curvature models still assign uniform geometric resolution to structural directions with different densities and separation needs. Second, relational evidence is not always reliable: sophisticated bots forge heterophilic connections with genuine users, causing neighborhood aggregation to mix bot and human signals and dilute account-level evidence. We propose SAHG (Sector-Anisotropic Hyperbolic Graph), addressing both challenges. SAHG learns a direction-dependent curvature field $\gamma(u)$ that adapts geometric resolution across structural directions, and uses sector prototypes to convert angular concentration and alignment into classifier-readable features. To prevent contaminated aggregation from overwhelming account-level evidence, SAHG encodes per-account features and graph-neighborhood representations in two independent SAH channels, fusing them only at the classifier. Experiments on Fox8-23, BotSim-24, and MGTAB show that SAHG achieves the highest accuracy and F1 on all three benchmarks, outperforming feature-based, graph-based, LLM-based, and isotropic hyperbolic baselines. Ablation and geometric analyses confirm the effectiveness of the anisotropic geometry and dual-channel design.
Authors: Rocco Caprio, Adrien Corenflos, Sam Power
Abstract: We study the contraction in Wasserstein distance of the coordinate ascent variational inference algorithm. This is shown to hold under a transport-information inequality at the fixed points and a functional smoothness condition. The results are general and sharp, allow for local convergence guarantees, hold for general smooth manifolds, and also in some non-smooth spaces. We consider applications to Bayesian Gaussian Mixture Models, and high-dimensional Bayesian Probit Regression, and Logistic Regression with P\'olya-Gamma random variables (i.e. Jaakkola-Jordan's algorithm).
Authors: Beepul Bharti, Ambar Pal, Jacopo Teneggi, Jeremias Sulam
Abstract: Uncertainty quantification (UQ) is critical for the deployment of machine learning predictors in real-world scenarios where the data distribution may shift over time (i.e., data may not be exchangeable). Online conformal prediction (OCP) methods address this issue at the expense of either (i) group-wise error control or (ii) learning-rate independent implementation. Group-conditional coverage is essential for fairness across different collections of data points and for providing finer UQ guarantees. Parameter-free optimization is crucial for robustness to adversarial and unknown data shifts. We propose a parameter-free algorithm for group-conditional OCP and demonstrate that it achieves the best group-conditional coverage guarantees. We evaluate our algorithm on synthetic and real-world data, demonstrating that our method not only improves the reliability of existing parameter-free OCP methods but also provides prediction intervals that are comparable in size to well-tuned group-conditional approaches. By unifying group-conditional coverage with parameter-free online algorithms, our work lays a foundation for fair and robust uncertainty quantification in shifting environments.
Authors: Hongqiang Lin, Pengfei Wang, Nenggan Zheng
Abstract: Offline reinforcement learning (RL) aims to optimize policies from pre-collected datasets. A bottleneck of this paradigm is managing epistemic uncertainty, which arises from limited data coverage (sample-level) and the ambiguity in identifying transition dynamics from finite data (model-level). To provide a unified quantification of these uncertainties, Bayesian RL has been proposed by treating the dynamics model as a random variable and maintaining a corresponding belief. Despite its theoretical appeal, policy optimization in Bayesian RL remains computationally challenging as it requires solving composite objectives with expectations. Prior methods either employ search-based techniques with poor computational scalability or impose restrictive posterior assumptions that sacrifice the adaptability of Bayesian RL. To address these limitations, we propose Posterior Hybrid Bayesian Belief (PhyB), which reformulates the expectation as a convex combination over a subset of dynamics models. Theoretical analysis demonstrates that the objective discrepancy induced by this approximation remains bounded. Based on PhyB, we develop an iterative regularized policy optimization algorithm that provides metric-agnostic guarantees for monotonic improvement until convergence. Empirical results demonstrate that PhyB achieves state-of-the-art performance on various benchmarks.
Authors: Suhyeong Shin, Yeongwook Yang
Abstract: Combining attention's global retrieval with the sequential importance signal of state space models (SSMs) is the open challenge of hybrid language modeling. Transformers see everywhere but cannot prioritize; SSMs know what matters but cannot revisit. Existing hybrids -- Jamba (block level) and Hymba (head level) -- place the two in separate compartments, so neither informs the other during the attention computation itself. We propose SISA (SSM-Informed Softmax Attention), which adds an SSM-derived importance term directly inside the attention score and realizes the full operation as a single SDPA call on augmented query/key vectors -- no recurrent state, no custom kernel. At 152M / 5B tokens, SISA reaches LAMBADA-greedy 17.3% (vs. Transformer 13.9 and Mamba-3 15.5) and attains NIAH 100% from step 1K, 7x faster than Transformer's retrieval convergence; at 369M, Mamba-3 leads LAMBADA while SISA preserves perfect NIAH and stock-SDPA execution. SISA thus defines a third design axis for SSM-attention hybrids -- score-level fusion -- beyond the block-level and head-level paradigms that have dominated the field.